 ----------------   CP     1,     Type (3,-1)   ----------------
 Connected atoms:     4(C )   --    15(H )
 Position (Bohr):        3.328238185574   -8.824659086690    1.198451115043
 Position (Angstrom):    1.761227800263   -4.669808482665    0.634193018462
 Density of all electrons:  0.2856727326E+00
 Density of Alpha electrons:  0.1428363663E+00
 Density of Beta electrons:  0.1428363663E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.3874431741E-01
 G(r) in X,Y,Z:  0.1761861206E-01  0.9368014774E-02  0.1175769058E-01
 Hamiltonian kinetic energy K(r):  0.3128819912E+00
 Potential energy density V(r): -0.3516263086E+00
 Energy density E(r) or H(r): -0.3128819912E+00
 Laplacian of electron density: -0.1096550695E+01
 Electron localization function (ELF):  0.9882739682E+00
 Localized orbital locator (LOL):  0.9017952038E+00
 Local information entropy:  0.7114192190E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.2856727326E+00
 Sign(lambda2)*rho with promolecular approximation: -0.1838794014E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.2097327938E-06
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.9178322468E-02
 Wavefunction value for orbital         1 : -0.5419773609E-05
 Average local ionization energy (ALIE):  0.4777745774E+00
 Delta-g (under promolecular approximation):  0.2958201645E+00
 Delta-g (under Hirshfeld partition):  0.5207619059E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.3674556466E+02
 ESP from electrons: -0.3297844873E+02
 Total ESP:  0.3767115928E+01 a.u. ( 0.1025084E+03 eV, 0.2363903E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.9367506770E-16 -0.1084202172E-15 -0.4224051664E-15
 Norm of gradient is:  0.4460449377E-15
 
 Components of Laplacian in x/y/z are:
 -0.6769205638E+00 -0.1328926626E+00 -0.2867374688E+00
 Total: -0.1096550695E+01
 
 Hessian matrix:
 -0.6769205638E+00  0.1660558986E+00 -0.1387591286E+00
  0.1660558986E+00 -0.1328926626E+00 -0.5095870019E+00
 -0.1387591286E+00 -0.5095870019E+00 -0.2867374688E+00
 Eigenvalues of Hessian: -0.7271575214E+00 -0.7204818544E+00  0.3510886805E+00
 Eigenvectors(columns) of Hessian:
  0.5333089970E+00 -0.8204619590E+00 -0.2059701135E+00
 -0.6315831616E+00 -0.2242180567E+00 -0.7421785318E+00
 -0.5627470335E+00 -0.5258977438E+00  0.6377674649E+00
 Determinant of Hessian:  0.1839366937E+00
 Ellipticity of electron density:    0.009266
 eta index:    2.071151
 
 ----------------   CP     2,     Type (3,-1)   ----------------
 Connected atoms:    39(C )   --    42(H )
 Position (Bohr):       -5.133590271087   -7.675891380021    1.301510937359
 Position (Angstrom):   -2.716578981573   -4.061906791674    0.688729927791
 Density of all electrons:  0.2747460169E+00
 Density of Alpha electrons:  0.1373730084E+00
 Density of Beta electrons:  0.1373730084E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.4785295584E-01
 G(r) in X,Y,Z:  0.1176714276E-01  0.1461981337E-01  0.2146599972E-01
 Hamiltonian kinetic energy K(r):  0.2932233236E+00
 Potential energy density V(r): -0.3410762794E+00
 Energy density E(r) or H(r): -0.2932233236E+00
 Laplacian of electron density: -0.9814814710E+00
 Electron localization function (ELF):  0.9798056242E+00
 Localized orbital locator (LOL):  0.8744821592E+00
 Local information entropy:  0.6880903546E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.2747460169E+00
 Sign(lambda2)*rho with promolecular approximation: -0.1842984939E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.8573500542E-08
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.8375196898E-02
 Wavefunction value for orbital         1 :  0.3141401178E-05
 Average local ionization energy (ALIE):  0.4131608377E+00
 Delta-g (under promolecular approximation):  0.2749058296E+00
 Delta-g (under Hirshfeld partition):  0.4836348583E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.3551694678E+02
 ESP from electrons: -0.3186441226E+02
 Total ESP:  0.3652534524E+01 a.u. ( 0.9939052E+02 eV, 0.2292002E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.1032160468E-15  0.5898059818E-16 -0.4857225733E-16
 Norm of gradient is:  0.1284193423E-15
 
 Components of Laplacian in x/y/z are:
 -0.1531452517E+00 -0.2452667235E+00 -0.5830694958E+00
 Total: -0.9814814710E+00
 
 Hessian matrix:
 -0.1531452517E+00  0.4640493309E+00  0.2005985304E+00
  0.4640493309E+00 -0.2452667235E+00  0.1810784528E+00
  0.2005985304E+00  0.1810784528E+00 -0.5830694958E+00
 Eigenvalues of Hessian: -0.6655817849E+00 -0.6616490432E+00  0.3457493571E+00
 Eigenvectors(columns) of Hessian:
  0.6896641888E+00 -0.1331810111E+00 -0.7117767381E+00
 -0.7166234036E+00 -0.2666865079E+00 -0.6444603975E+00
 -0.1039913653E+00  0.9545371259E+00 -0.2793647637E+00
 Determinant of Hessian:  0.1522616382E+00
 Ellipticity of electron density:    0.005944
 eta index:    1.925041
 
 ----------------   CP     3,     Type (3,-1)   ----------------
 Connected atoms:    38(N )   --    43(H )
 Position (Bohr):       -4.004109097907   -6.372830301301    5.557495690436
 Position (Angstrom):   -2.118883284582   -3.372356564400    2.940900069070
 Density of all electrons:  0.1033480214E-01
 Density of Alpha electrons:  0.5167401070E-02
 Density of Beta electrons:  0.5167401070E-02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.6446373131E-02
 G(r) in X,Y,Z:  0.2888321020E-03  0.6494549893E-03  0.5508086040E-02
 Hamiltonian kinetic energy K(r): -0.5408670136E-03
 Potential energy density V(r): -0.5905506118E-02
 Energy density E(r) or H(r):  0.5408670136E-03
 Laplacian of electron density:  0.2794896058E-01
 Electron localization function (ELF):  0.4539328770E-01
 Localized orbital locator (LOL):  0.1792528747E+00
 Local information entropy:  0.3816627114E-03
 Reduced density gradient (RDG):  0.5330204094E-15
 Reduced density gradient with promolecular approximation:  0.1555286893E+00
 Sign(lambda2)*rho: -0.1033480214E-01
 Sign(lambda2)*rho with promolecular approximation: -0.1518600925E-01
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.5524034934E-06
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.2377241639E-03
 Wavefunction value for orbital         1 :  0.5483321629E-05
 Average local ionization energy (ALIE):  0.3250503679E+00
 Delta-g (under promolecular approximation):  0.2279173631E-01
 Delta-g (under Hirshfeld partition):  0.2090236623E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.3339826278E+02
 ESP from electrons: -0.3065966155E+02
 Total ESP:  0.2738601225E+01 a.u. ( 0.7452113E+02 eV, 0.1718500E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.1138412281E-17 -0.7264154556E-17  0.2168404345E-17
 Norm of gradient is:  0.7665892077E-17
 
 Components of Laplacian in x/y/z are:
 -0.9186751224E-02 -0.4979927554E-02  0.4211563936E-01
 Total:  0.2794896058E-01
 
 Hessian matrix:
 -0.9186751224E-02  0.8064533909E-03  0.2886359508E-02
  0.8064533909E-03 -0.4979927554E-02  0.1131038464E-01
  0.2886359508E-02  0.1131038464E-01  0.4211563936E-01
 Eigenvalues of Hessian: -0.9364214254E-02 -0.7543704724E-02  0.4485687956E-01
 Eigenvectors(columns) of Hessian:
  0.9952659642E+00  0.7991972099E-01  0.5530369449E-01
 -0.9028929713E-01  0.9708955246E+00  0.2218326469E+00
 -0.3596530622E-01 -0.2257758149E+00  0.9735151659E+00
 Determinant of Hessian:  0.3168728876E-05
 Ellipticity of electron density:    0.241328
 eta index:    0.208758
 
 ----------------   CP     4,     Type (3,-1)   ----------------
 Connected atoms:     5(C )   --    16(H )
 Position (Bohr):        5.596657450891   -9.444661194561   -2.020732567974
 Position (Angstrom):    2.961623580242   -4.997899468861   -1.069325624301
 Density of all electrons:  0.2843463277E+00
 Density of Alpha electrons:  0.1421731638E+00
 Density of Beta electrons:  0.1421731638E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.3865975623E-01
 G(r) in X,Y,Z:  0.1574811438E-01  0.5084065755E-02  0.1782757610E-01
 Hamiltonian kinetic energy K(r):  0.3092372277E+00
 Potential energy density V(r): -0.3478969839E+00
 Energy density E(r) or H(r): -0.3092372277E+00
 Laplacian of electron density: -0.1082309886E+01
 Electron localization function (ELF):  0.9881441171E+00
 Localized orbital locator (LOL):  0.9013006755E+00
 Local information entropy:  0.7085954978E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.2843463277E+00
 Sign(lambda2)*rho with promolecular approximation: -0.1833394949E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.7233597466E-07
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.7715597534E-02
 Wavefunction value for orbital         1 : -0.1816217042E-05
 Average local ionization energy (ALIE):  0.4827899356E+00
 Delta-g (under promolecular approximation):  0.2912531567E+00
 Delta-g (under Hirshfeld partition):  0.5159919737E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.3436292615E+02
 ESP from electrons: -0.3094810562E+02
 Total ESP:  0.3414820523E+01 a.u. ( 0.9292199E+02 eV, 0.2142834E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.2558717127E-15 -0.5225854471E-16 -0.2602085214E-16
 Norm of gradient is:  0.2624468967E-15
 
 Components of Laplacian in x/y/z are:
 -0.5730281042E+00  0.1716102372E+00 -0.6808920188E+00
 Total: -0.1082309886E+01
 
 Hessian matrix:
 -0.5730281042E+00 -0.3604666487E+00 -0.7458787382E-01
 -0.3604666487E+00  0.1716102372E+00  0.1861749501E+00
 -0.7458787382E-01  0.1861749501E+00 -0.6808920188E+00
 Eigenvalues of Hessian: -0.7200966222E+00 -0.7185115950E+00  0.3562983315E+00
 Eigenvectors(columns) of Hessian:
 -0.4178614949E+00 -0.8305280626E+00 -0.3682592949E+00
 -0.3444402953E+00 -0.2302589542E+00  0.9101327908E+00
  0.8406858236E+00 -0.5071527888E+00  0.1898509803E+00
 Determinant of Hessian:  0.1843479631E+00
 Ellipticity of electron density:    0.002206
 eta index:    2.021050
 
 ----------------   CP     5,     Type (3,-1)   ----------------
 Connected atoms:    39(C )   --    43(H )
 Position (Bohr):       -4.154466897405   -6.859802310655    2.972489809519
 Position (Angstrom):   -2.198449205558   -3.630051054099    1.572973866839
 Density of all electrons:  0.2786882076E+00
 Density of Alpha electrons:  0.1393441038E+00
 Density of Beta electrons:  0.1393441038E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.4248126587E-01
 G(r) in X,Y,Z:  0.1993891841E-01  0.1962342041E-01  0.2918927049E-02
 Hamiltonian kinetic energy K(r):  0.3012339707E+00
 Potential energy density V(r): -0.3437152366E+00
 Energy density E(r) or H(r): -0.3012339707E+00
 Laplacian of electron density: -0.1035010819E+01
 Electron localization function (ELF):  0.9847457462E+00
 Localized orbital locator (LOL):  0.8893381038E+00
 Local information entropy:  0.6965248843E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.2786882076E+00
 Sign(lambda2)*rho with promolecular approximation: -0.1810536369E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.2188576961E-08
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.9629891484E-02
 Wavefunction value for orbital         1 :  0.3789989636E-05
 Average local ionization energy (ALIE):  0.3970339861E+00
 Delta-g (under promolecular approximation):  0.2921669923E+00
 Delta-g (under Hirshfeld partition):  0.5096681957E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.3781201553E+02
 ESP from electrons: -0.3397879428E+02
 Total ESP:  0.3833221253E+01 a.u. ( 0.1043073E+03 eV, 0.2405385E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.3469446952E-16 -0.1561251128E-15  0.2255140519E-16
 Norm of gradient is:  0.1615157050E-15
 
 Components of Laplacian in x/y/z are:
 -0.6842658758E+00 -0.6857154246E+00  0.3349704811E+00
 Total: -0.1035010819E+01
 
 Hessian matrix:
 -0.6842658758E+00  0.6402734790E-03  0.5457934091E-01
  0.6402734790E-03 -0.6857154246E+00 -0.6451668362E-02
  0.5457934091E-01 -0.6451668362E-02  0.3349704811E+00
 Eigenvalues of Hessian: -0.6876821362E+00 -0.6852536324E+00  0.3379249493E+00
 Eigenvectors(columns) of Hessian:
  0.8892694766E+00 -0.4542658488E+00  0.5331356793E-01
 -0.4546062323E+00 -0.8906705244E+00 -0.6260236727E-02
 -0.5032863526E-01  0.1866964281E-01  0.9985581971E+00
 Determinant of Hessian:  0.1592426318E+00
 Ellipticity of electron density:    0.003544
 eta index:    2.035014
 
 ----------------   CP     6,     Type (3,-1)   ----------------
 Connected atoms:    39(C )   --    44(H )
 Position (Bohr):       -3.108630797896   -7.257157771279    1.196138214850
 Position (Angstrom):   -1.645016575358   -3.840322508489    0.632969084389
 Density of all electrons:  0.2751834997E+00
 Density of Alpha electrons:  0.1375917498E+00
 Density of Beta electrons:  0.1375917498E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.4906718817E-01
 G(r) in X,Y,Z:  0.7473835394E-02  0.2095785791E-01  0.2063549487E-01
 Hamiltonian kinetic energy K(r):  0.2930226783E+00
 Potential energy density V(r): -0.3420898665E+00
 Energy density E(r) or H(r): -0.2930226783E+00
 Laplacian of electron density: -0.9758219606E+00
 Electron localization function (ELF):  0.9788998378E+00
 Localized orbital locator (LOL):  0.8720021119E+00
 Local information entropy:  0.6890273782E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.2751834997E+00
 Sign(lambda2)*rho with promolecular approximation: -0.1847151657E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.2462258604E-07
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.9724880742E-02
 Wavefunction value for orbital         1 : -0.7234678055E-05
 Average local ionization energy (ALIE):  0.4113467804E+00
 Delta-g (under promolecular approximation):  0.2720142412E+00
 Delta-g (under Hirshfeld partition):  0.4811617082E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.3909728878E+02
 ESP from electrons: -0.3499356871E+02
 Total ESP:  0.4103720066E+01 a.u. ( 0.1116679E+03 eV, 0.2575125E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.1257674520E-15  0.2185751580E-15 -0.2255140519E-16
 Norm of gradient is:  0.2531819850E-15
 
 Components of Laplacian in x/y/z are:
  0.1141523393E+00 -0.5606734805E+00 -0.5293008193E+00
 Total: -0.9758219606E+00
 
 Hessian matrix:
  0.1141523393E+00 -0.2825601813E+00 -0.3202887443E+00
 -0.2825601813E+00 -0.5606734805E+00  0.1166893377E+00
 -0.3202887443E+00  0.1166893377E+00 -0.5293008193E+00
 Eigenvalues of Hessian: -0.6633962489E+00 -0.6615486079E+00  0.3491228962E+00
 Eigenvectors(columns) of Hessian:
  0.2908469209E+00  0.3843734736E+00  0.8761649967E+00
  0.9478765140E+00  0.8808412235E-02 -0.3185161317E+00
 -0.1301467744E+00  0.9231356589E+00 -0.3617766886E+00
 Determinant of Hessian:  0.1532191692E+00
 Ellipticity of electron density:    0.002793
 eta index:    1.900180
 
 ----------------   CP     7,     Type (3,-1)   ----------------
 Connected atoms:     4(C )   --     5(C )
 Position (Bohr):        4.352958892082   -8.072837928737   -0.692906387601
 Position (Angstrom):    2.303486645687   -4.271961859201   -0.366670269608
 Density of all electrons:  0.2983308943E+00
 Density of Alpha electrons:  0.1491654471E+00
 Density of Beta electrons:  0.1491654471E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.9373770798E-01
 G(r) in X,Y,Z:  0.3730162332E-01  0.3660113126E-01  0.1983495340E-01
 Hamiltonian kinetic energy K(r):  0.2752462400E+00
 Potential energy density V(r): -0.3689839480E+00
 Energy density E(r) or H(r): -0.2752462400E+00
 Laplacian of electron density: -0.7260341281E+00
 Electron localization function (ELF):  0.9433176310E+00
 Localized orbital locator (LOL):  0.8031463826E+00
 Local information entropy:  0.7382557803E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.2983308943E+00
 Sign(lambda2)*rho with promolecular approximation: -0.2134780083E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.2136190663E-08
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.6281514186E-02
 Wavefunction value for orbital         1 :  0.1533466116E-05
 Average local ionization energy (ALIE):  0.5419385980E+00
 Delta-g (under promolecular approximation):  0.3825454602E+00
 Delta-g (under Hirshfeld partition):  0.5414985050E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4061079464E+02
 ESP from electrons: -0.3669990752E+02
 Total ESP:  0.3910887121E+01 a.u. ( 0.1064207E+03 eV, 0.2454121E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.0000000000E+00 -0.6938893904E-17  0.2541369892E-15
 Norm of gradient is:  0.2542317005E-15
 
 Components of Laplacian in x/y/z are:
 -0.2193313769E+00 -0.5606305249E+00  0.5392777369E-01
 Total: -0.7260341281E+00
 
 Hessian matrix:
 -0.2193313769E+00 -0.6577344523E-01 -0.3987251049E+00
 -0.6577344523E-01 -0.5606305249E+00  0.1258253460E+00
 -0.3987251049E+00  0.1258253460E+00  0.5392777369E-01
 Eigenvalues of Hessian: -0.5866657186E+00 -0.4996332408E+00  0.3602648313E+00
 Eigenvectors(columns) of Hessian:
  0.1013152100E+00 -0.8140794004E+00 -0.5718478451E+00
 -0.9623846519E+00 -0.2258534832E+00  0.1510165087E+00
  0.2520932565E+00 -0.5350373201E+00  0.8063399135E+00
 Determinant of Hessian:  0.1055999967E+00
 Ellipticity of electron density:    0.174193
 eta index:    1.628429
 
 ----------------   CP     8,     Type (3,-1)   ----------------
 Connected atoms:    37(C )   --    38(N )
 Position (Bohr):       -3.749444125887   -4.494626063602    8.038039154076
 Position (Angstrom):   -1.984120384973   -2.378453684389    4.253547140683
 Density of all electrons:  0.4634953507E+00
 Density of Alpha electrons:  0.2317476754E+00
 Density of Beta electrons:  0.2317476754E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.9182356024E+00
 G(r) in X,Y,Z:  0.2263289937E+00  0.4533642282E+00  0.2385423806E+00
 Hamiltonian kinetic energy K(r):  0.8623755705E+00
 Potential energy density V(r): -0.1780611173E+01
 Energy density E(r) or H(r): -0.8623755705E+00
 Laplacian of electron density:  0.2234401278E+00
 Electron localization function (ELF):  0.4296861306E+00
 Localized orbital locator (LOL):  0.4646702167E+00
 Local information entropy:  0.1072984984E-01
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.4634953507E+00
 Sign(lambda2)*rho with promolecular approximation: -0.4172421438E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.2776408300E-06
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.1788211528E-02
 Wavefunction value for orbital         1 :  0.2093866034E-03
 Average local ionization energy (ALIE):  0.1192485092E+01
 Delta-g (under promolecular approximation):  0.4947196530E+00
 Delta-g (under Hirshfeld partition):  0.7351368548E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4078026939E+02
 ESP from electrons: -0.3580836900E+02
 Total ESP:  0.4971900390E+01 a.u. ( 0.1352923E+03 eV, 0.3119917E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.5551115123E-16  0.7771561172E-15 -0.2983724379E-15
 Norm of gradient is:  0.8343136282E-15
 
 Components of Laplacian in x/y/z are:
 -0.9384778646E+00  0.1982050878E+01 -0.8201328859E+00
 Total:  0.2234401278E+00
 
 Hessian matrix:
 -0.9384778646E+00  0.2195325954E+00 -0.4047600916E-01
  0.2195325954E+00  0.1982050878E+01 -0.5882354085E+00
 -0.4047600916E-01 -0.5882354085E+00 -0.8201328859E+00
 Eigenvalues of Hessian: -0.9555714521E+00 -0.9378188173E+00  0.2116830397E+01
 Eigenvectors(columns) of Hessian:
 -0.9749652544E+00  0.2100813490E+00 -0.7285999954E-01
  0.1113954229E+00  0.1778811160E+00 -0.9777266327E+00
  0.1924417119E+00  0.9613657657E+00  0.1968300082E+00
 Determinant of Hessian:  0.1897003676E+01
 Ellipticity of electron density:    0.018930
 eta index:    0.451416
 
 ----------------   CP     9,     Type (3,-1)   ----------------
 Connected atoms:     3(C )   --    44(H )
 Position (Bohr):       -0.343963519486   -6.502020584386    1.108261991557
 Position (Angstrom):   -0.182017655894   -3.440721118079    0.586466989642
 Density of all electrons:  0.4870920175E-02
 Density of Alpha electrons:  0.2435460087E-02
 Density of Beta electrons:  0.2435460087E-02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.3541067351E-02
 G(r) in X,Y,Z:  0.2681226956E-02  0.6200809137E-03  0.2397594812E-03
 Hamiltonian kinetic energy K(r): -0.1362935330E-02
 Potential energy density V(r): -0.2178132021E-02
 Energy density E(r) or H(r):  0.1362935330E-02
 Laplacian of electron density:  0.1961601073E-01
 Electron localization function (ELF):  0.1264530362E-01
 Localized orbital locator (LOL):  0.1019217630E+00
 Local information entropy:  0.1931579857E-03
 Reduced density gradient (RDG):  0.1458027792E-14
 Reduced density gradient with promolecular approximation:  0.1344202296E+00
 Sign(lambda2)*rho: -0.4870920175E-02
 Sign(lambda2)*rho with promolecular approximation: -0.1084276487E-01
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.2354395476E-07
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.2363436410E-03
 Wavefunction value for orbital         1 : -0.6795098499E-05
 Average local ionization energy (ALIE):  0.3943938110E+00
 Delta-g (under promolecular approximation):  0.1526062390E-01
 Delta-g (under Hirshfeld partition):  0.9378151869E-02
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.3987198026E+02
 ESP from electrons: -0.3588656125E+02
 Total ESP:  0.3985419013E+01 a.u. ( 0.1084488E+03 eV, 0.2500890E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.6505213035E-17 -0.1734723476E-17 -0.2236166981E-17
 Norm of gradient is:  0.7094188110E-17
 
 Components of Laplacian in x/y/z are:
  0.2070642940E-01  0.1315228328E-02 -0.2405647004E-02
 Total:  0.1961601073E-01
 
 Hessian matrix:
  0.2070642940E-01  0.1038995827E-01  0.1535351456E-02
  0.1038995827E-01  0.1315228328E-02  0.1848560165E-02
  0.1535351456E-02  0.1848560165E-02 -0.2405647004E-02
 Eigenvalues of Hessian: -0.4010939613E-02 -0.1760775767E-02  0.2538772611E-01
 Eigenvectors(columns) of Hessian:
 -0.2785542673E+00 -0.2973370935E+00 -0.9132350042E+00
  0.7511168996E+00  0.5251281252E+00 -0.4000798112E+00
 -0.5985239539E+00  0.7973901837E+00 -0.7705823565E-01
 Determinant of Hessian:  0.1792973952E-06
 Ellipticity of electron density:    1.277939
 eta index:    0.157987
 
 ----------------   CP    10,     Type (3,-1)   ----------------
 Connected atoms:     3(C )   --     4(C )
 Position (Bohr):        3.128603204990   -6.672778436249    0.549971913671
 Position (Angstrom):    1.655585518039   -3.531082281868    0.291032603351
 Density of all electrons:  0.3176730632E+00
 Density of Alpha electrons:  0.1588365316E+00
 Density of Beta electrons:  0.1588365316E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.1048007409E+00
 G(r) in X,Y,Z:  0.4929222604E-01  0.1043262244E-01  0.4507589237E-01
 Hamiltonian kinetic energy K(r):  0.3106112960E+00
 Potential energy density V(r): -0.4154120369E+00
 Energy density E(r) or H(r): -0.3106112960E+00
 Laplacian of electron density: -0.8232422207E+00
 Electron localization function (ELF):  0.9425806478E+00
 Localized orbital locator (LOL):  0.8020593644E+00
 Local information entropy:  0.7788898531E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.3176730632E+00
 Sign(lambda2)*rho with promolecular approximation: -0.2238403376E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.3537897269E-05
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.8864524493E-02
 Wavefunction value for orbital         1 : -0.1204506887E-05
 Average local ionization energy (ALIE):  0.5529073719E+00
 Delta-g (under promolecular approximation):  0.3968931279E+00
 Delta-g (under Hirshfeld partition):  0.5686920424E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4463628252E+02
 ESP from electrons: -0.3999634204E+02
 Total ESP:  0.4639940479E+01 a.u. ( 0.1262592E+03 eV, 0.2911609E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.1222980051E-15  0.4510281038E-16  0.8153200337E-16
 Norm of gradient is:  0.1537482784E-15
 
 Components of Laplacian in x/y/z are:
 -0.4433529591E+00  0.2177610731E+00 -0.5976503347E+00
 Total: -0.8232422207E+00
 
 Hessian matrix:
 -0.4433529591E+00 -0.3141589190E+00 -0.1440570134E-02
 -0.3141589190E+00  0.2177610731E+00  0.1388143474E+00
 -0.1440570134E-02  0.1388143474E+00 -0.5976503347E+00
 Eigenvalues of Hessian: -0.6468205546E+00 -0.5371892129E+00  0.3607675468E+00
 Eigenvectors(columns) of Hessian:
  0.4587015044E+00  0.8120373333E+00  0.3608161570E+00
  0.3009156496E+00  0.2401086293E+00 -0.9229288261E+00
 -0.8360877357E+00  0.5319240692E+00 -0.1342165522E+00
 Determinant of Hessian:  0.1253541046E+00
 Ellipticity of electron density:    0.204083
 eta index:    1.792901
 
 ----------------   CP    11,     Type (3,-1)   ----------------
 Connected atoms:    39(C )   --    40(C )
 Position (Bohr):       -4.501417858848   -5.565536059643    1.185475056723
 Position (Angstrom):   -2.382047747654   -2.945154849222    0.627326384112
 Density of all electrons:  0.2468172199E+00
 Density of Alpha electrons:  0.1234086100E+00
 Density of Beta electrons:  0.1234086100E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.5652148464E-01
 G(r) in X,Y,Z:  0.2370928515E-01  0.8483702401E-02  0.2432849709E-01
 Hamiltonian kinetic energy K(r):  0.1972497731E+00
 Potential energy density V(r): -0.2537712577E+00
 Energy density E(r) or H(r): -0.1972497731E+00
 Laplacian of electron density: -0.5629131538E+00
 Electron localization function (ELF):  0.9605210460E+00
 Localized orbital locator (LOL):  0.8314629308E+00
 Local information entropy:  0.6277302428E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.2468172199E+00
 Sign(lambda2)*rho with promolecular approximation: -0.1756122741E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.2208675984E-05
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.6173905214E-02
 Wavefunction value for orbital         1 : -0.1667266286E-05
 Average local ionization energy (ALIE):  0.4324294965E+00
 Delta-g (under promolecular approximation):  0.3210307929E+00
 Delta-g (under Hirshfeld partition):  0.4669215636E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4190147563E+02
 ESP from electrons: -0.3772089345E+02
 Total ESP:  0.4180582186E+01 a.u. ( 0.1137594E+03 eV, 0.2623357E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.2255140519E-16  0.6245004514E-16 -0.8326672685E-16
 Norm of gradient is:  0.1064984592E-15
 
 Components of Laplacian in x/y/z are:
 -0.4221913733E+00  0.2106078640E+00 -0.3513296444E+00
 Total: -0.5629131538E+00
 
 Hessian matrix:
 -0.4221913733E+00 -0.1458019011E+00  0.4596629872E-01
 -0.1458019011E+00  0.2106078640E+00 -0.2409938512E+00
  0.4596629872E-01 -0.2409938512E+00 -0.3513296444E+00
 Eigenvalues of Hessian: -0.4565315753E+00 -0.4371519920E+00  0.3307704135E+00
 Eigenvectors(columns) of Hessian:
 -0.8907651098E+00 -0.4086948203E+00 -0.1987613216E+00
 -0.3135214492E+00  0.2360108804E+00  0.9197843036E+00
 -0.3290012462E+00  0.8816277039E+00 -0.3383648502E+00
 Determinant of Hessian:  0.6601307115E-01
 Ellipticity of electron density:    0.044331
 eta index:    1.380207
 
 ----------------   CP    12,     Type (3,-1)   ----------------
 Connected atoms:     5(C )   --     6(C )
 Position (Bohr):        5.367569600470   -7.280437796148   -2.556426882277
 Position (Angstrom):    2.840395510504   -3.852641767118   -1.352802847441
 Density of all electrons:  0.3238239820E+00
 Density of Alpha electrons:  0.1619119910E+00
 Density of Beta electrons:  0.1619119910E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.1111174314E+00
 G(r) in X,Y,Z:  0.5642404831E-01  0.2002554000E-01  0.3466784312E-01
 Hamiltonian kinetic energy K(r):  0.3238704911E+00
 Potential energy density V(r): -0.4349879225E+00
 Energy density E(r) or H(r): -0.3238704911E+00
 Laplacian of electron density: -0.8510122385E+00
 Electron localization function (ELF):  0.9396372646E+00
 Localized orbital locator (LOL):  0.7978081202E+00
 Local information entropy:  0.7917210129E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.3238239820E+00
 Sign(lambda2)*rho with promolecular approximation: -0.2299937746E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1551795222E-08
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.7204775650E-02
 Wavefunction value for orbital         1 : -0.2573934074E-06
 Average local ionization energy (ALIE):  0.5632936193E+00
 Delta-g (under promolecular approximation):  0.4075001561E+00
 Delta-g (under Hirshfeld partition):  0.5755957690E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4120453761E+02
 ESP from electrons: -0.3719396528E+02
 Total ESP:  0.4010572324E+01 a.u. ( 0.1091332E+03 eV, 0.2516674E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.3191891196E-15  0.1387778781E-16 -0.1075528555E-15
 Norm of gradient is:  0.3371081485E-15
 
 Components of Laplacian in x/y/z are:
 -0.5448509910E+00 -0.5306858660E-01 -0.2530926609E+00
 Total: -0.8510122385E+00
 
 Hessian matrix:
 -0.5448509910E+00  0.1707568677E+00 -0.7085094373E-01
  0.1707568677E+00 -0.5306858660E-01 -0.4589723658E+00
 -0.7085094373E-01 -0.4589723658E+00 -0.2530926609E+00
 Eigenvalues of Hessian: -0.6567428091E+00 -0.5461448164E+00  0.3518753869E+00
 Eigenvectors(columns) of Hessian:
  0.5440457784E+00 -0.8161620812E+00 -0.1946629094E+00
 -0.5999019763E+00 -0.2161598215E+00 -0.7703197715E+00
 -0.5866274881E+00 -0.5358678837E+00  0.6072180838E+00
 Determinant of Hessian:  0.1262094959E+00
 Ellipticity of electron density:    0.202507
 eta index:    1.866407
 
 ----------------   CP    13,     Type (3,+1)   ----------------
 Position (Bohr):       -3.734895901188   -4.289536527751    4.409206191975
 Position (Angstrom):   -1.976421796003   -2.269924975822    2.333251434966
 Density of all electrons:  0.3329167115E-02
 Density of Alpha electrons:  0.1664583558E-02
 Density of Beta electrons:  0.1664583558E-02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.2798525142E-02
 G(r) in X,Y,Z:  0.1675893139E-03  0.1363471653E-02  0.1267464175E-02
 Hamiltonian kinetic energy K(r): -0.1004657723E-02
 Potential energy density V(r): -0.1793867419E-02
 Energy density E(r) or H(r):  0.1004657723E-02
 Laplacian of electron density:  0.1521273146E-01
 Electron localization function (ELF):  0.5725396187E-02
 Localized orbital locator (LOL):  0.7076587067E-01
 Local information entropy:  0.1366096464E-03
 Reduced density gradient (RDG):  0.1338138747E-14
 Reduced density gradient with promolecular approximation:  0.2218923028E+00
 Sign(lambda2)*rho:  0.3329167115E-02
 Sign(lambda2)*rho with promolecular approximation:  0.8783827490E-02
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.4991118326E-07
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.1682176530E-03
 Wavefunction value for orbital         1 : -0.5618400530E-04
 Average local ionization energy (ALIE):  0.3945833512E+00
 Delta-g (under promolecular approximation):  0.1154712964E-01
 Delta-g (under Hirshfeld partition):  0.6392398679E-02
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.3879345934E+02
 ESP from electrons: -0.3528388601E+02
 Total ESP:  0.3509573323E+01 a.u. ( 0.9550035E+02 eV, 0.2202292E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.4065758147E-19  0.3252606517E-18  0.4065758147E-17
 Norm of gradient is:  0.4078950458E-17
 
 Components of Laplacian in x/y/z are:
 -0.1758923984E-02  0.9004212842E-02  0.7967442605E-02
 Total:  0.1521273146E-01
 
 Hessian matrix:
 -0.1758923984E-02  0.2061270380E-02 -0.1705210555E-03
  0.2061270380E-02  0.9004212842E-02  0.7366869878E-03
 -0.1705210555E-03  0.7366869878E-03  0.7967442605E-02
 Eigenvalues of Hessian: -0.2149209592E-02  0.7692677771E-02  0.9669263283E-02
 Eigenvectors(columns) of Hessian:
  0.9825522821E+00  0.9681635818E-01  0.1588005219E+00
 -0.1835628227E+00  0.3674126464E+00  0.9117634767E+00
  0.2992829933E-01 -0.9250051568E+00  0.3787740182E+00
 Determinant of Hessian: -0.1598636399E-06
 Ellipticity of electron density:   -1.279384
 eta index:    0.222272
 
 ----------------   CP    14,     Type (3,+1)   ----------------
 Position (Bohr):       -0.939057019953   -5.293477202864    1.495099049371
 Position (Angstrom):   -0.496927574697   -2.801187502190    0.791172344970
 Density of all electrons:  0.3489729167E-02
 Density of Alpha electrons:  0.1744864584E-02
 Density of Beta electrons:  0.1744864584E-02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.2827136039E-02
 G(r) in X,Y,Z:  0.1601074149E-02  0.1057385874E-02  0.1686760168E-03
 Hamiltonian kinetic energy K(r): -0.1170817927E-02
 Potential energy density V(r): -0.1656318112E-02
 Energy density E(r) or H(r):  0.1170817927E-02
 Laplacian of electron density:  0.1599181586E-01
 Electron localization function (ELF):  0.6558805682E-02
 Localized orbital locator (LOL):  0.7539314536E-01
 Local information entropy:  0.1426026239E-03
 Reduced density gradient (RDG):  0.9343261434E-15
 Reduced density gradient with promolecular approximation:  0.1743632989E+00
 Sign(lambda2)*rho:  0.3489729167E-02
 Sign(lambda2)*rho with promolecular approximation:  0.8583736849E-02
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1505355412E-07
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.2280563712E-03
 Wavefunction value for orbital         1 :  0.1120588394E-04
 Average local ionization energy (ALIE):  0.3971643980E+00
 Delta-g (under promolecular approximation):  0.1196817600E-01
 Delta-g (under Hirshfeld partition):  0.6652763064E-02
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4282170102E+02
 ESP from electrons: -0.3826247505E+02
 Total ESP:  0.4559225965E+01 a.u. ( 0.1240628E+03 eV, 0.2860960E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.9215718466E-18  0.2913793339E-17 -0.5421010862E-19
 Norm of gradient is:  0.3056538078E-17
 
 Components of Laplacian in x/y/z are:
  0.1153153850E-01  0.6122100066E-02 -0.1661822701E-02
 Total:  0.1599181586E-01
 
 Hessian matrix:
  0.1153153850E-01  0.8320066445E-03  0.2027906240E-02
  0.8320066445E-03  0.6122100066E-02  0.9450246680E-03
  0.2027906240E-02  0.9450246680E-03 -0.1661822701E-02
 Eigenvalues of Hessian: -0.2047645598E-02  0.6044026826E-02  0.1199543464E-01
 Eigenvectors(columns) of Hessian:
 -0.1409964243E+00 -0.1761760590E+00 -0.9742083989E+00
 -0.9957829509E-01  0.9815721634E+00 -0.1630958345E+00
  0.9849894271E+00  0.7401408194E-01 -0.1559414768E+00
 Determinant of Hessian: -0.1484557980E-06
 Ellipticity of electron density:   -1.338788
 eta index:    0.170702
 
 ----------------   CP    15,     Type (3,-1)   ----------------
 Connected atoms:     3(C )   --    14(H )
 Position (Bohr):        1.883996603312   -5.218800822774    1.813565850319
 Position (Angstrom):    0.996968067891   -2.761670463654    0.959697718461
 Density of all electrons:  0.2885011587E+00
 Density of Alpha electrons:  0.1442505794E+00
 Density of Beta electrons:  0.1442505794E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.3225761504E-01
 G(r) in X,Y,Z:  0.1127768553E-01  0.1387757274E-01  0.7102356774E-02
 Hamiltonian kinetic energy K(r):  0.3187402223E+00
 Potential energy density V(r): -0.3509978374E+00
 Energy density E(r) or H(r): -0.3187402223E+00
 Laplacian of electron density: -0.1145930429E+01
 Electron localization function (ELF):  0.9921030124E+00
 Localized orbital locator (LOL):  0.9181131893E+00
 Local information entropy:  0.7174330832E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.2885011587E+00
 Sign(lambda2)*rho with promolecular approximation: -0.1793932479E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.2569016842E-05
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.1562192762E-01
 Wavefunction value for orbital         1 :  0.1435408857E-04
 Average local ionization energy (ALIE):  0.4586991815E+00
 Delta-g (under promolecular approximation):  0.3111673862E+00
 Delta-g (under Hirshfeld partition):  0.5430826329E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4573447399E+02
 ESP from electrons: -0.4037248823E+02
 Total ESP:  0.5361985760E+01 a.u. ( 0.1459071E+03 eV, 0.3364700E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.5052382124E-16  0.1908195824E-15 -0.1066854938E-15
 Norm of gradient is:  0.2243804004E-15
 
 Components of Laplacian in x/y/z are:
 -0.3915712435E+00 -0.7200524525E+00 -0.3430673311E-01
 Total: -0.1145930429E+01
 
 Hessian matrix:
 -0.3915712435E+00 -0.1132120573E+00 -0.5002367750E+00
 -0.1132120573E+00 -0.7200524525E+00  0.1667023763E+00
 -0.5002367750E+00  0.1667023763E+00 -0.3430673311E-01
 Eigenvalues of Hessian: -0.7585926145E+00 -0.7433003500E+00  0.3559625353E+00
 Eigenvectors(columns) of Hessian:
  0.8543702186E-01 -0.8201407344E+00 -0.5657470204E+00
 -0.9564410052E+00 -0.2265968556E+00  0.1840501793E+00
  0.2791435451E+00 -0.5253789497E+00  0.8037759890E+00
 Determinant of Hessian:  0.2007138026E+00
 Ellipticity of electron density:    0.020573
 eta index:    2.131102
 
 ----------------   CP    16,     Type (3,+1)   ----------------
 Position (Bohr):        4.121202840862   -5.872480766535   -1.285634343594
 Position (Angstrom):    2.180846624893   -3.107582993117   -0.680328396184
 Density of all electrons:  0.2248463590E-01
 Density of Alpha electrons:  0.1124231795E-01
 Density of Beta electrons:  0.1124231795E-01
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.3571761072E-01
 G(r) in X,Y,Z:  0.7827645445E-02  0.1448802995E-01  0.1340193532E-01
 Hamiltonian kinetic energy K(r): -0.9905848418E-02
 Potential energy density V(r): -0.2581176230E-01
 Energy density E(r) or H(r):  0.9905848418E-02
 Laplacian of electron density:  0.1824938365E+00
 Electron localization function (ELF):  0.2030057227E-01
 Localized orbital locator (LOL):  0.1258657136E+00
 Local information entropy:  0.7670294572E-03
 Reduced density gradient (RDG):  0.9883769962E-15
 Reduced density gradient with promolecular approximation:  0.6285399005E-02
 Sign(lambda2)*rho:  0.2248463590E-01
 Sign(lambda2)*rho with promolecular approximation:  0.5785916454E-01
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.4124805839E-06
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.1992490356E-02
 Wavefunction value for orbital         1 :  0.2019502492E-05
 Average local ionization energy (ALIE):  0.6763645115E+00
 Delta-g (under promolecular approximation):  0.9505610376E-01
 Delta-g (under Hirshfeld partition):  0.4658990474E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4408562529E+02
 ESP from electrons: -0.4001996819E+02
 Total ESP:  0.4065657100E+01 a.u. ( 0.1106322E+03 eV, 0.2551240E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.1767249541E-16 -0.7372574773E-17  0.3382710778E-16
 Norm of gradient is:  0.3887087822E-16
 
 Components of Laplacian in x/y/z are:
  0.2481467318E-01  0.8530069546E-01  0.7237846790E-01
 Total:  0.1824938365E+00
 
 Hessian matrix:
  0.2481467318E-01 -0.2077842773E-01 -0.5778023874E-01
 -0.2077842773E-01  0.8530069546E-01 -0.1405666085E-01
 -0.5778023874E-01 -0.1405666085E-01  0.7237846790E-01
 Eigenvalues of Hessian: -0.1987028411E-01  0.9128382981E-01  0.1110802908E+00
 Eigenvectors(columns) of Hessian:
  0.8080600503E+00 -0.1959345993E+00 -0.5555615068E+00
  0.2320192210E+00  0.9726952050E+00 -0.5578467538E-02
  0.5414850286E+00 -0.1243932113E+00  0.8314567294E+00
 Determinant of Hessian: -0.2014813897E-03
 Ellipticity of electron density:   -1.217676
 eta index:    0.178882
 
 ----------------   CP    17,     Type (3,-1)   ----------------
 Connected atoms:    40(C )   --    45(H )
 Position (Bohr):       -5.976936654704   -3.837341452433    1.107270453530
 Position (Angstrom):   -3.162858668680   -2.030633647081    0.585942290314
 Density of all electrons:  0.2789510629E+00
 Density of Alpha electrons:  0.1394755315E+00
 Density of Beta electrons:  0.1394755315E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.4004326753E-01
 G(r) in X,Y,Z:  0.6400263793E-02  0.1545853051E-01  0.1818447322E-01
 Hamiltonian kinetic energy K(r):  0.2958685555E+00
 Potential energy density V(r): -0.3359118230E+00
 Energy density E(r) or H(r): -0.2958685555E+00
 Laplacian of electron density: -0.1023301152E+01
 Electron localization function (ELF):  0.9864649361E+00
 Localized orbital locator (LOL):  0.8951698229E+00
 Local information entropy:  0.6970865557E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.2789510629E+00
 Sign(lambda2)*rho with promolecular approximation: -0.1781541332E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.3108775932E-08
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.1132800203E-01
 Wavefunction value for orbital         1 : -0.7242203889E-05
 Average local ionization energy (ALIE):  0.4168877626E+00
 Delta-g (under promolecular approximation):  0.2799541546E+00
 Delta-g (under Hirshfeld partition):  0.5050904199E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4026228322E+02
 ESP from electrons: -0.3586978525E+02
 Total ESP:  0.4392497970E+01 a.u. ( 0.1195259E+03 eV, 0.2756336E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.5551115123E-16  0.1387778781E-16  0.9107298249E-16
 Norm of gradient is:  0.1075563529E-15
 
 Components of Laplacian in x/y/z are:
  0.1728728035E+00 -0.6142889781E+00 -0.5818849774E+00
 Total: -0.1023301152E+01
 
 Hessian matrix:
  0.1728728035E+00 -0.2834591747E+00 -0.3012717288E+00
 -0.2834591747E+00 -0.6142889781E+00  0.8455770500E-01
 -0.3012717288E+00  0.8455770500E-01 -0.5818849774E+00
 Eigenvalues of Hessian: -0.7107908226E+00 -0.6798478798E+00  0.3673375505E+00
 Eigenvectors(columns) of Hessian:
  0.3981963494E+00  0.1498556749E+00  0.9049767643E+00
  0.8329332919E+00 -0.4723526751E+00 -0.2882795200E+00
  0.3842678735E+00  0.8685771279E+00 -0.3129088915E+00
 Determinant of Hessian:  0.1775083900E+00
 Ellipticity of electron density:    0.045515
 eta index:    1.934980
 
 ----------------   CP    18,     Type (3,-1)   ----------------
 Connected atoms:    40(C )   --    46(H )
 Position (Bohr):       -4.819877246082   -4.233679076701   -0.644711051502
 Position (Angstrom):   -2.550569197977   -2.240366485667   -0.341166396072
 Density of all electrons:  0.2839477501E+00
 Density of Alpha electrons:  0.1419738750E+00
 Density of Beta electrons:  0.1419738750E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.3712729337E-01
 G(r) in X,Y,Z:  0.1653472786E-01  0.1701715458E-01  0.3575410932E-02
 Hamiltonian kinetic energy K(r):  0.3071793979E+00
 Potential energy density V(r): -0.3443066913E+00
 Energy density E(r) or H(r): -0.3071793979E+00
 Laplacian of electron density: -0.1080208418E+01
 Electron localization function (ELF):  0.9890043706E+00
 Localized orbital locator (LOL):  0.9046392995E+00
 Local information entropy:  0.7077465471E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.2839477501E+00
 Sign(lambda2)*rho with promolecular approximation: -0.1783280888E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1681095135E-04
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.1333223440E-01
 Wavefunction value for orbital         1 :  0.4486802637E-05
 Average local ionization energy (ALIE):  0.4095047191E+00
 Delta-g (under promolecular approximation):  0.2932914128E+00
 Delta-g (under Hirshfeld partition):  0.5240260773E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4240627307E+02
 ESP from electrons: -0.3755047185E+02
 Total ESP:  0.4855801216E+01 a.u. ( 0.1321331E+03 eV, 0.3047064E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.3209238431E-16  0.1387778781E-15  0.5898059818E-16
 Norm of gradient is:  0.1541685167E-15
 
 Components of Laplacian in x/y/z are:
 -0.7225516008E+00 -0.7203274776E+00  0.3626706603E+00
 Total: -0.1080208418E+01
 
 Hessian matrix:
 -0.7225516008E+00 -0.1419347701E-01  0.1991327533E-01
 -0.1419347701E-01 -0.7203274776E+00  0.6190454981E-02
  0.1991327533E-01  0.6190454981E-02  0.3626706603E+00
 Eigenvalues of Hessian: -0.7359998330E+00 -0.7072769747E+00  0.3630683896E+00
 Eigenvectors(columns) of Hessian:
 -0.7377188757E+00 -0.6748608341E+00  0.1826787015E-01
 -0.6748895638E+00  0.7378984460E+00  0.5473571394E-02
  0.1717373195E-01  0.8290837982E-02  0.9998181459E+00
 Determinant of Hessian:  0.1889973325E+00
 Ellipticity of electron density:    0.040610
 eta index:    2.027166
 
 ----------------   CP    19,     Type (3,-1)   ----------------
 Connected atoms:     2(N )   --     3(C )
 Position (Bohr):        2.810957809857   -4.811593131533    0.199803712856
 Position (Angstrom):    1.487494813786   -2.546185433345    0.105731571497
 Density of all electrons:  0.3406945830E+00
 Density of Alpha electrons:  0.1703472915E+00
 Density of Beta electrons:  0.1703472915E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.3586834832E+00
 G(r) in X,Y,Z:  0.1142107441E+00  0.1247988548E+00  0.1196738843E+00
 Hamiltonian kinetic energy K(r):  0.5745913684E+00
 Potential energy density V(r): -0.9332748516E+00
 Energy density E(r) or H(r): -0.5745913684E+00
 Laplacian of electron density: -0.8636315406E+00
 Electron localization function (ELF):  0.6389543059E+00
 Localized orbital locator (LOL):  0.5708799161E+00
 Local information entropy:  0.8266990742E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.3406945830E+00
 Sign(lambda2)*rho with promolecular approximation: -0.3138620948E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1371790885E-04
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.1232504399E-01
 Wavefunction value for orbital         1 :  0.2906327602E-05
 Average local ionization energy (ALIE):  0.8448693132E+00
 Delta-g (under promolecular approximation):  0.3150246259E+00
 Delta-g (under Hirshfeld partition):  0.4435699098E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.5159037310E+02
 ESP from electrons: -0.4490304452E+02
 Total ESP:  0.6687328577E+01 a.u. ( 0.1819715E+03 eV, 0.4196366E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.2369632268E-14 -0.8923417560E-14  0.7573802696E-14
 Norm of gradient is:  0.1194173460E-13
 
 Components of Laplacian in x/y/z are:
 -0.6567593188E+00  0.3080660963E-01 -0.2376788315E+00
 Total: -0.8636315406E+00
 
 Hessian matrix:
 -0.6567593188E+00  0.1863252876E+00 -0.1176442753E+00
  0.1863252876E+00  0.3080660963E-01 -0.5933567359E+00
 -0.1176442753E+00 -0.5933567359E+00 -0.2376788315E+00
 Eigenvalues of Hessian: -0.7294097572E+00 -0.6790691207E+00  0.5448473373E+00
 Eigenvectors(columns) of Hessian:
  0.5822889822E+00 -0.7929473590E+00 -0.1793711991E+00
 -0.5840881126E+00 -0.2545692942E+00 -0.7707370181E+00
 -0.5654914835E+00 -0.5535602590E+00  0.6113840215E+00
 Determinant of Hessian:  0.2698735883E+00
 Ellipticity of electron density:    0.074132
 eta index:    1.338742
 
 ----------------   CP    20,     Type (3,-1)   ----------------
 Connected atoms:     6(C )   --    17(H )
 Position (Bohr):        6.351018043761   -6.466874777748   -4.384955876810
 Position (Angstrom):    3.360814014792   -3.422122758148   -2.320418720823
 Density of all electrons:  0.2851595032E+00
 Density of Alpha electrons:  0.1425797516E+00
 Density of Beta electrons:  0.1425797516E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.4198088841E-01
 G(r) in X,Y,Z:  0.1433322468E-01  0.1919667765E-01  0.8450986078E-02
 Hamiltonian kinetic energy K(r):  0.3107929080E+00
 Potential energy density V(r): -0.3527737964E+00
 Energy density E(r) or H(r): -0.3107929080E+00
 Laplacian of electron density: -0.1075248078E+01
 Electron localization function (ELF):  0.9861801590E+00
 Localized orbital locator (LOL):  0.8941740847E+00
 Local information entropy:  0.7103268941E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.2851595032E+00
 Sign(lambda2)*rho with promolecular approximation: -0.1852106259E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.4946315019E-06
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.8497959600E-02
 Wavefunction value for orbital         1 :  0.1658642859E-06
 Average local ionization energy (ALIE):  0.4889517144E+00
 Delta-g (under promolecular approximation):  0.2885945320E+00
 Delta-g (under Hirshfeld partition):  0.5125522880E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.3781374938E+02
 ESP from electrons: -0.3403246394E+02
 Total ESP:  0.3781285437E+01 a.u. ( 0.1028940E+03 eV, 0.2372794E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.2055647319E-15 -0.1020017404E-14  0.1179611964E-14
 Norm of gradient is:  0.1572951604E-14
 
 Components of Laplacian in x/y/z are:
 -0.3698855574E+00 -0.6971385379E+00 -0.8223983063E-02
 Total: -0.1075248078E+01
 
 Hessian matrix:
 -0.3698855574E+00 -0.8869092827E-01 -0.4935328113E+00
 -0.8869092827E-01 -0.6971385379E+00  0.1294368796E+00
 -0.4935328113E+00  0.1294368796E+00 -0.8223983063E-02
 Eigenvalues of Hessian: -0.7207545952E+00 -0.7143474509E+00  0.3598539677E+00
 Eigenvectors(columns) of Hessian:
  0.1028634259E+00 -0.8177335284E+00 -0.5663311683E+00
 -0.9637157937E+00 -0.2229172453E+00  0.1468324580E+00
  0.2463148079E+00 -0.5306786017E+00  0.8109927479E+00
 Determinant of Hessian:  0.1852777273E+00
 Ellipticity of electron density:    0.008969
 eta index:    2.002909
 
 ----------------   CP    21,     Type (3,-1)   ----------------
 Connected atoms:    14(H )   --    41(O )
 Position (Bohr):       -0.281972394674   -3.936941890781    1.704168854028
 Position (Angstrom):   -0.149213365365   -2.083339929251    0.901807321083
 Density of all electrons:  0.6042412920E-02
 Density of Alpha electrons:  0.3021206460E-02
 Density of Beta electrons:  0.3021206460E-02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.4892469231E-02
 G(r) in X,Y,Z:  0.3163297444E-02  0.1385750708E-02  0.3434210784E-03
 Hamiltonian kinetic energy K(r): -0.1160940987E-02
 Potential energy density V(r): -0.3731528244E-02
 Energy density E(r) or H(r):  0.1160940987E-02
 Laplacian of electron density:  0.2421364087E-01
 Electron localization function (ELF):  0.1359556026E-01
 Localized orbital locator (LOL):  0.1052581148E+00
 Local information entropy:  0.2348955780E-03
 Reduced density gradient (RDG):  0.2920959976E-15
 Reduced density gradient with promolecular approximation:  0.5511455535E+00
 Sign(lambda2)*rho: -0.6042412920E-02
 Sign(lambda2)*rho with promolecular approximation: -0.1020981701E-01
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.2172974428E-06
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.4481893349E-03
 Wavefunction value for orbital         1 :  0.1259435668E-04
 Average local ionization energy (ALIE):  0.3833658805E+00
 Delta-g (under promolecular approximation):  0.1139963482E-01
 Delta-g (under Hirshfeld partition):  0.1030989912E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4712863131E+02
 ESP from electrons: -0.4141267255E+02
 Total ESP:  0.5715958759E+01 a.u. ( 0.1555391E+03 eV, 0.3586821E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.2168404345E-18  0.1301042607E-17 -0.1192622390E-17
 Norm of gradient is:  0.1778223778E-17
 
 Components of Laplacian in x/y/z are:
  0.2221482577E-01  0.5460889117E-02 -0.3462074012E-02
 Total:  0.2421364087E-01
 
 Hessian matrix:
  0.2221482577E-01 -0.1650506073E-01  0.4362260666E-02
 -0.1650506073E-01  0.5460889117E-02 -0.3110063748E-02
  0.4362260666E-02 -0.3110063748E-02 -0.3462074012E-02
 Eigenvalues of Hessian: -0.4879861439E-02 -0.4034347475E-02  0.3312784979E-01
 Eigenvectors(columns) of Hessian:
  0.3939927997E+00 -0.3672834776E+00 -0.8425393290E+00
  0.7766739982E+00 -0.3571344908E+00  0.5188761471E+00
  0.4914744900E+00  0.8588118551E+00 -0.1445511092E+00
 Determinant of Hessian:  0.6521898563E-06
 Ellipticity of electron density:    0.209579
 eta index:    0.147304
 
 ----------------   CP    22,     Type (3,-1)   ----------------
 Connected atoms:    36(S )   --    37(C )
 Position (Bohr):       -3.591078942511   -1.901394912227    7.493131169786
 Position (Angstrom):   -1.900317138931   -1.006174856477    3.965194253358
 Density of all electrons:  0.2183720030E+00
 Density of Alpha electrons:  0.1091860015E+00
 Density of Beta electrons:  0.1091860015E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.3230585944E+00
 G(r) in X,Y,Z:  0.6146122670E-01  0.1900711146E+00  0.7152625305E-01
 Hamiltonian kinetic energy K(r):  0.2454045008E+00
 Potential energy density V(r): -0.5684630952E+00
 Energy density E(r) or H(r): -0.2454045008E+00
 Laplacian of electron density:  0.3106163742E+00
 Electron localization function (ELF):  0.3312391824E+00
 Localized orbital locator (LOL):  0.4130764414E+00
 Local information entropy:  0.5650736445E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.2183720030E+00
 Sign(lambda2)*rho with promolecular approximation: -0.2860980120E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1638168958E-06
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.2899828196E-02
 Wavefunction value for orbital         1 : -0.4921239696E-03
 Average local ionization energy (ALIE):  0.1096218117E+01
 Delta-g (under promolecular approximation):  0.1405322131E+00
 Delta-g (under Hirshfeld partition):  0.1803455885E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4490340409E+02
 ESP from electrons: -0.4021777817E+02
 Total ESP:  0.4685625926E+01 a.u. ( 0.1275024E+03 eV, 0.2940277E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.3209238431E-16  0.8326672685E-16  0.1387778781E-16
 Norm of gradient is:  0.9030981079E-16
 
 Components of Laplacian in x/y/z are:
 -0.2025528653E+00  0.6607731320E+00 -0.1476038925E+00
 Total:  0.3106163742E+00
 
 Hessian matrix:
 -0.2025528653E+00  0.4795343032E-01 -0.4821667424E-02
  0.4795343032E-01  0.6607731320E+00 -0.1884405958E+00
 -0.4821667424E-02 -0.1884405958E+00 -0.1476038925E+00
 Eigenvalues of Hessian: -0.2069052232E+00 -0.1875445380E+00  0.7050661355E+00
 Eigenvectors(columns) of Hessian:
 -0.9502900139E+00  0.3068806275E+00 -0.5266089492E-01
  0.1153310644E+00  0.1898212416E+00 -0.9750213545E+00
  0.2892190087E+00  0.9326264937E+00  0.2157780997E+00
 Determinant of Hessian:  0.2735934719E-01
 Ellipticity of electron density:    0.103232
 eta index:    0.293455
 
 ----------------   CP    23,     Type (3,-1)   ----------------
 Connected atoms:    40(C )   --    41(O )
 Position (Bohr):       -4.175039970014   -3.620615125425    0.935808348006
 Position (Angstrom):   -2.209336006741   -1.915947013826    0.495208451538
 Density of all electrons:  0.2455197268E+00
 Density of Alpha electrons:  0.1227598634E+00
 Density of Beta electrons:  0.1227598634E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.2609576185E+00
 G(r) in X,Y,Z:  0.8706115496E-01  0.8560220211E-01  0.8829426143E-01
 Hamiltonian kinetic energy K(r):  0.3418173255E+00
 Potential energy density V(r): -0.6027749440E+00
 Energy density E(r) or H(r): -0.3418173255E+00
 Laplacian of electron density: -0.3234388278E+00
 Electron localization function (ELF):  0.5287038449E+00
 Localized orbital locator (LOL):  0.5143733387E+00
 Local information entropy:  0.6248991969E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.2455197268E+00
 Sign(lambda2)*rho with promolecular approximation: -0.2667981087E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.5386898283E-05
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.4592085413E-02
 Wavefunction value for orbital         1 : -0.8941092105E-05
 Average local ionization energy (ALIE):  0.7727623699E+00
 Delta-g (under promolecular approximation):  0.2424989872E+00
 Delta-g (under Hirshfeld partition):  0.2881796445E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4824897819E+02
 ESP from electrons: -0.4216286632E+02
 Total ESP:  0.6086111876E+01 a.u. ( 0.1656115E+03 eV, 0.3819096E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.3469446952E-17 -0.6245004514E-16  0.1040834086E-15
 Norm of gradient is:  0.1214306433E-15
 
 Components of Laplacian in x/y/z are:
  0.4184978369E-01  0.4229308342E-02 -0.3695179199E+00
 Total: -0.3234388278E+00
 
 Hessian matrix:
  0.4184978369E-01  0.4678568254E+00  0.1846699420E+00
  0.4678568254E+00  0.4229308342E-02  0.1768660173E+00
  0.1846699420E+00  0.1768660173E+00 -0.3695179199E+00
 Eigenvalues of Hessian: -0.4452199448E+00 -0.4397219835E+00  0.5615031004E+00
 Eigenvectors(columns) of Hessian:
 -0.7039272959E+00 -0.1441626081E+00 -0.6954879615E+00
  0.7073258545E+00 -0.2313757493E+00 -0.6679486494E+00
  0.6462582883E-01  0.9621239032E+00 -0.2648416454E+00
 Determinant of Hessian:  0.1099271449E+00
 Ellipticity of electron density:    0.012503
 eta index:    0.792907
 
 ----------------   CP    24,     Type (3,-1)   ----------------
 Connected atoms:    14(H )   --    54(O )
 Position (Bohr):        1.738186099547   -3.106369799669    2.839478479873
 Position (Angstrom):    0.919808472189   -1.643820106622    1.502587302398
 Density of all electrons:  0.8642224468E-02
 Density of Alpha electrons:  0.4321112234E-02
 Density of Beta electrons:  0.4321112234E-02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.7484390856E-02
 G(r) in X,Y,Z:  0.3425922927E-03  0.5900204704E-02  0.1241593860E-02
 Hamiltonian kinetic energy K(r): -0.1309552384E-02
 Potential energy density V(r): -0.6174838472E-02
 Energy density E(r) or H(r):  0.1309552384E-02
 Laplacian of electron density:  0.3517577296E-01
 Electron localization function (ELF):  0.1907159214E-01
 Localized orbital locator (LOL):  0.1225162713E+00
 Local information entropy:  0.3247565132E-03
 Reduced density gradient (RDG):  0.1280278254E-14
 Reduced density gradient with promolecular approximation:  0.4765495591E+00
 Sign(lambda2)*rho: -0.8642224468E-02
 Sign(lambda2)*rho with promolecular approximation: -0.1329312676E-01
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.8419702385E-06
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.6147490551E-03
 Wavefunction value for orbital         1 :  0.1054426395E-04
 Average local ionization energy (ALIE):  0.4260877487E+00
 Delta-g (under promolecular approximation):  0.1804250201E-01
 Delta-g (under Hirshfeld partition):  0.1607810076E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4595588787E+02
 ESP from electrons: -0.4042992223E+02
 Total ESP:  0.5525965637E+01 a.u. ( 0.1503692E+03 eV, 0.3467599E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.3794707604E-18 -0.1257674520E-16 -0.6722053469E-17
 Norm of gradient is:  0.1426550107E-16
 
 Components of Laplacian in x/y/z are:
 -0.7465204961E-02  0.4204649343E-01  0.5944844939E-03
 Total:  0.3517577296E-01
 
 Hessian matrix:
 -0.7465204961E-02  0.9137659908E-03 -0.2319194323E-03
  0.9137659908E-03  0.4204649343E-01  0.1846481548E-01
 -0.2319194323E-03  0.1846481548E-01  0.5944844939E-03
 Eigenvalues of Hessian: -0.7707064171E-02 -0.6206356567E-02  0.4908919370E-01
 Eigenvectors(columns) of Hessian:
 -0.9196149437E+00 -0.3925841436E+00 -0.1363984962E-01
  0.1514106873E+00 -0.3222069263E+00 -0.9344824773E+00
 -0.3624681490E+00  0.8614292698E+00 -0.3557477394E+00
 Determinant of Hessian:  0.2348073011E-05
 Ellipticity of electron density:    0.241802
 eta index:    0.157001
 
 ----------------   CP    25,     Type (3,+1)   ----------------
 Position (Bohr):        0.123066422953   -3.426380506133    0.847297282559
 Position (Angstrom):    0.065123946454   -1.813162479728    0.448370412790
 Density of all electrons:  0.5139153937E-02
 Density of Alpha electrons:  0.2569576968E-02
 Density of Beta electrons:  0.2569576968E-02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.4325673527E-02
 G(r) in X,Y,Z:  0.2380877470E-02  0.1164493989E-02  0.7803020684E-03
 Hamiltonian kinetic energy K(r): -0.1244166184E-02
 Potential energy density V(r): -0.3081507344E-02
 Energy density E(r) or H(r):  0.1244166184E-02
 Laplacian of electron density:  0.2227935884E-01
 Electron localization function (ELF):  0.1016773902E-01
 Localized orbital locator (LOL):  0.9221801831E-01
 Local information entropy:  0.2027967434E-03
 Reduced density gradient (RDG):  0.9659903147E-15
 Reduced density gradient with promolecular approximation:  0.5176344664E+00
 Sign(lambda2)*rho:  0.5139153937E-02
 Sign(lambda2)*rho with promolecular approximation:  0.1064377130E-01
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.2847827371E-05
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.5020013691E-03
 Wavefunction value for orbital         1 :  0.1394477137E-04
 Average local ionization energy (ALIE):  0.4224567179E+00
 Delta-g (under promolecular approximation):  0.1042607093E-01
 Delta-g (under Hirshfeld partition):  0.8299314855E-02
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.5086642674E+02
 ESP from electrons: -0.4389233019E+02
 Total ESP:  0.6974096546E+01 a.u. ( 0.1897748E+03 eV, 0.4376315E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.3686287386E-17  0.8131516294E-19 -0.3144186300E-17
 Norm of gradient is:  0.4845743941E-17
 
 Components of Laplacian in x/y/z are:
  0.1604170681E-01  0.5033601022E-02  0.1204051010E-02
 Total:  0.2227935884E-01
 
 Hessian matrix:
  0.1604170681E-01 -0.8277291017E-02 -0.3182899373E-02
 -0.8277291017E-02  0.5033601022E-02 -0.2503743789E-02
 -0.3182899373E-02 -0.2503743789E-02  0.1204051010E-02
 Eigenvalues of Hessian: -0.2874172326E-02  0.4535044385E-02  0.2061848678E-01
 Eigenvectors(columns) of Hessian:
 -0.3863448549E+00 -0.2579556875E+00 -0.8855487092E+00
 -0.6204761979E+00 -0.6376959423E+00  0.4564571973E+00
 -0.6824565487E+00  0.7258117858E+00  0.8631518207E-01
 Determinant of Hessian: -0.2687516468E-06
 Ellipticity of electron density:   -1.633769
 eta index:    0.139398
 
 ----------------   CP    26,     Type (3,-1)   ----------------
 Connected atoms:     6(C )   --     7(C )
 Position (Bohr):        5.130242113356   -5.085798974828   -3.105621376396
 Position (Angstrom):    2.714807212803   -2.691288916713   -1.643424058082
 Density of all electrons:  0.2928390554E+00
 Density of Alpha electrons:  0.1464195277E+00
 Density of Beta electrons:  0.1464195277E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.9067696459E-01
 G(r) in X,Y,Z:  0.4248275841E-01  0.9608099591E-02  0.3858610659E-01
 Hamiltonian kinetic energy K(r):  0.2650058419E+00
 Potential energy density V(r): -0.3556828065E+00
 Energy density E(r) or H(r): -0.2650058419E+00
 Laplacian of electron density: -0.6973155091E+00
 Electron localization function (ELF):  0.9435552894E+00
 Localized orbital locator (LOL):  0.8034987701E+00
 Local information entropy:  0.7266369314E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.2928390554E+00
 Sign(lambda2)*rho with promolecular approximation: -0.2091228050E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1195063133E-05
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.7057017163E-02
 Wavefunction value for orbital         1 : -0.5414595272E-06
 Average local ionization energy (ALIE):  0.5539118433E+00
 Delta-g (under promolecular approximation):  0.3710232063E+00
 Delta-g (under Hirshfeld partition):  0.5336476246E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4551695441E+02
 ESP from electrons: -0.4094216719E+02
 Total ESP:  0.4574787222E+01 a.u. ( 0.1244863E+03 eV, 0.2870725E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.1283695372E-15 -0.2307182223E-15  0.1249000903E-15
 Norm of gradient is:  0.2920781894E-15
 
 Components of Laplacian in x/y/z are:
 -0.3816385093E+00  0.2015954669E+00 -0.5172724667E+00
 Total: -0.6973155091E+00
 
 Hessian matrix:
 -0.3816385093E+00 -0.3041756218E+00 -0.2369808234E-01
 -0.3041756218E+00  0.2015954669E+00  0.1693766277E+00
 -0.2369808234E-01  0.1693766277E+00 -0.5172724667E+00
 Eigenvalues of Hessian: -0.5774625786E+00 -0.4822769102E+00  0.3624239797E+00
 Eigenvectors(columns) of Hessian:
  0.4510760405E+00  0.8089879047E+00  0.3769203839E+00
  0.3542183830E+00  0.2253610238E+00 -0.9076021960E+00
 -0.8191823624E+00  0.5429097338E+00 -0.1849034292E+00
 Determinant of Hessian:  0.1009339433E+00
 Ellipticity of electron density:    0.197367
 eta index:    1.593334
 
 ----------------   CP    27,     Type (3,-1)   ----------------
 Connected atoms:    47(H )   --    41(O )
 Position (Bohr):       -3.154338777002   -2.125417995995    2.853402519337
 Position (Angstrom):   -1.669204196257   -1.124722767123    1.509955586766
 Density of all electrons:  0.3349060043E+00
 Density of Alpha electrons:  0.1674530021E+00
 Density of Beta electrons:  0.1674530021E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.7181744718E-01
 G(r) in X,Y,Z:  0.2258626515E-01  0.2375876214E-01  0.2547241989E-01
 Hamiltonian kinetic energy K(r):  0.6030612311E+00
 Potential energy density V(r): -0.6748786783E+00
 Energy density E(r) or H(r): -0.6030612311E+00
 Laplacian of electron density: -0.2124975136E+01
 Electron localization function (ELF):  0.9765718440E+00
 Localized orbital locator (LOL):  0.8659012171E+00
 Local information entropy:  0.8147324178E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.3349060043E+00
 Sign(lambda2)*rho with promolecular approximation: -0.2155648955E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1635384267E-05
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.3556327665E-01
 Wavefunction value for orbital         1 :  0.2834706072E-04
 Average local ionization energy (ALIE):  0.5814353240E+00
 Delta-g (under promolecular approximation):  0.4910737531E+00
 Delta-g (under Hirshfeld partition):  0.7420509082E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4980067653E+02
 ESP from electrons: -0.4268888624E+02
 Total ESP:  0.7111790296E+01 a.u. ( 0.1935217E+03 eV, 0.4462720E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.3816391647E-15  0.3044439700E-15 -0.1092875790E-15
 Norm of gradient is:  0.5002782804E-15
 
 Components of Laplacian in x/y/z are:
 -0.1716533318E+01 -0.1610586228E+01  0.1202144410E+01
 Total: -0.2124975136E+01
 
 Hessian matrix:
 -0.1716533318E+01 -0.1070378988E+00 -0.3956244347E+00
 -0.1070378988E+00 -0.1610586228E+01  0.6684911545E+00
 -0.3956244347E+00  0.6684911545E+00  0.1202144410E+01
 Eigenvalues of Hessian: -0.1783571677E+01 -0.1748030512E+01  0.1406627054E+01
 Eigenvectors(columns) of Hessian:
 -0.7835118494E+00 -0.6076253673E+00 -0.1300022877E+00
 -0.6203856953E+00  0.7531379464E+00  0.2188717039E+00
  0.3508234345E-01 -0.2521401332E+00  0.9670545912E+00
 Determinant of Hessian:  0.4385494212E+01
 Ellipticity of electron density:    0.020332
 eta index:    1.267978
 
 ----------------   CP    28,     Type (3,-1)   ----------------
 Connected atoms:    36(S )   --    47(H )
 Position (Bohr):       -3.307647420493   -1.603213654000    4.466085606142
 Position (Angstrom):   -1.750331636627   -0.848384129905    2.363350724712
 Density of all electrons:  0.2643478298E-01
 Density of Alpha electrons:  0.1321739149E-01
 Density of Beta electrons:  0.1321739149E-01
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.1280177298E-01
 G(r) in X,Y,Z:  0.1012018362E-02  0.1704022136E-02  0.1008573248E-01
 Hamiltonian kinetic energy K(r):  0.9900467136E-03
 Potential energy density V(r): -0.1379181969E-01
 Energy density E(r) or H(r): -0.9900467136E-03
 Laplacian of electron density:  0.4724690506E-01
 Electron localization function (ELF):  0.2165334508E+00
 Localized orbital locator (LOL):  0.3447469505E+00
 Local information entropy:  0.8862812165E-03
 Reduced density gradient (RDG):  0.9669634859E-15
 Reduced density gradient with promolecular approximation:  0.4433990177E+00
 Sign(lambda2)*rho: -0.2643478298E-01
 Sign(lambda2)*rho with promolecular approximation: -0.3135390681E-01
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.3890359499E-05
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.6500124135E-03
 Wavefunction value for orbital         1 :  0.5976365883E-04
 Average local ionization energy (ALIE):  0.3528037828E+00
 Delta-g (under promolecular approximation):  0.3966738233E-01
 Delta-g (under Hirshfeld partition):  0.4539420926E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4350805367E+02
 ESP from electrons: -0.3913539961E+02
 Total ESP:  0.4372654061E+01 a.u. ( 0.1189860E+03 eV, 0.2743884E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.1734723476E-16 -0.8673617380E-18 -0.4163336342E-16
 Norm of gradient is:  0.4511114962E-16
 
 Components of Laplacian in x/y/z are:
 -0.2590220413E-01 -0.1503917413E-01  0.8818828332E-01
 Total:  0.4724690506E-01
 
 Hessian matrix:
 -0.2590220413E-01 -0.3500717198E-02 -0.1028084807E-01
 -0.3500717198E-02 -0.1503917413E-01  0.3870010818E-01
 -0.1028084807E-01  0.3870010818E-01  0.8818828332E-01
 Eigenvalues of Hessian: -0.2794093448E-01 -0.2681986481E-01  0.1020077043E+00
 Eigenvectors(columns) of Hessian:
  0.6271359840E-01  0.9944393442E+00 -0.8460139077E-01
  0.9484915125E+00 -0.3301084223E-01  0.3150779823E+00
 -0.3105331789E+00  0.1000033751E+00  0.9452875064E+00
 Determinant of Hessian:  0.7644172613E-04
 Ellipticity of electron density:    0.041800
 eta index:    0.273910
 
 ----------------   CP    29,     Type (3,-1)   ----------------
 Connected atoms:    46(H )   --    48(N )
 Position (Bohr):       -3.318181464755   -3.381387769863   -2.372190205594
 Position (Angstrom):   -1.755906012789   -1.789353349038   -1.255308996728
 Density of all electrons:  0.1009546229E-01
 Density of Alpha electrons:  0.5047731145E-02
 Density of Beta electrons:  0.5047731145E-02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.6957098787E-02
 G(r) in X,Y,Z:  0.3447000847E-02  0.1280348629E-02  0.2229749310E-02
 Hamiltonian kinetic energy K(r): -0.8188824692E-03
 Potential energy density V(r): -0.6138216317E-02
 Energy density E(r) or H(r):  0.8188824692E-03
 Laplacian of electron density:  0.3110392502E-01
 Electron localization function (ELF):  0.3639321784E-01
 Localized orbital locator (LOL):  0.1629126731E+00
 Local information entropy:  0.3736809799E-03
 Reduced density gradient (RDG):  0.2076423197E-14
 Reduced density gradient with promolecular approximation:  0.2687731750E+00
 Sign(lambda2)*rho: -0.1009546229E-01
 Sign(lambda2)*rho with promolecular approximation: -0.1401181111E-01
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1138706766E-04
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.4671682428E-03
 Wavefunction value for orbital         1 :  0.1760196388E-05
 Average local ionization energy (ALIE):  0.3350300828E+00
 Delta-g (under promolecular approximation):  0.1931820458E-01
 Delta-g (under Hirshfeld partition):  0.1943098279E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4327331849E+02
 ESP from electrons: -0.3820634461E+02
 Total ESP:  0.5066973879E+01 a.u. ( 0.1378794E+03 eV, 0.3179577E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.1951563910E-16 -0.1160096325E-16  0.1832301672E-16
 Norm of gradient is:  0.2917491147E-16
 
 Components of Laplacian in x/y/z are:
  0.2080186569E-01  0.3079830416E-03  0.9994076294E-02
 Total:  0.3110392502E-01
 
 Hessian matrix:
  0.2080186569E-01  0.1709046179E-01 -0.2312398865E-01
  0.1709046179E-01  0.3079830416E-03 -0.1316640395E-01
 -0.2312398865E-01 -0.1316640395E-01  0.9994076294E-02
 Eigenvalues of Hessian: -0.9374283808E-02 -0.8273068384E-02  0.4875127721E-01
 Eigenvectors(columns) of Hessian:
  0.4705963156E+00  0.5141921973E+00 -0.7170393936E+00
 -0.8815546246E+00  0.2395274154E+00 -0.4068022383E+00
 -0.3742394414E-01  0.8235490280E+00  0.5660092287E+00
 Determinant of Hessian:  0.3780860989E-05
 Ellipticity of electron density:    0.133108
 eta index:    0.192288
 
 ----------------   CP    30,     Type (3,+1)   ----------------
 Position (Bohr):        2.077585681074   -2.774076264897    2.074306625138
 Position (Angstrom):    1.099410996123   -1.467977940690    1.097675794448
 Density of all electrons:  0.7660920152E-02
 Density of Alpha electrons:  0.3830460076E-02
 Density of Beta electrons:  0.3830460076E-02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.7321636380E-02
 G(r) in X,Y,Z:  0.6740336918E-03  0.4075527726E-02  0.2572074962E-02
 Hamiltonian kinetic energy K(r): -0.1739008378E-02
 Potential energy density V(r): -0.5582628002E-02
 Energy density E(r) or H(r):  0.1739008378E-02
 Laplacian of electron density:  0.3624257903E-01
 Electron localization function (ELF):  0.1341141334E-01
 Localized orbital locator (LOL):  0.1045455368E+00
 Local information entropy:  0.2912266610E-03
 Reduced density gradient (RDG):  0.9435136891E-16
 Reduced density gradient with promolecular approximation:  0.5246275958E+00
 Sign(lambda2)*rho:  0.7660920152E-02
 Sign(lambda2)*rho with promolecular approximation:  0.1390521611E-01
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.3093491015E-05
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.7140372864E-03
 Wavefunction value for orbital         1 :  0.3553499052E-05
 Average local ionization energy (ALIE):  0.4547809926E+00
 Delta-g (under promolecular approximation):  0.1564655334E-01
 Delta-g (under Hirshfeld partition):  0.1357729186E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4867598929E+02
 ESP from electrons: -0.4237108094E+02
 Total ESP:  0.6304908351E+01 a.u. ( 0.1715653E+03 eV, 0.3956393E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.6505213035E-18  0.4336808690E-18 -0.2168404345E-18
 Norm of gradient is:  0.8113426135E-18
 
 Components of Laplacian in x/y/z are:
 -0.3330454591E-02  0.2651628141E-01  0.1305675221E-01
 Total:  0.3624257903E-01
 
 Hessian matrix:
 -0.3330454591E-02 -0.2095985306E-02 -0.5781294126E-02
 -0.2095985306E-02  0.2651628141E-01  0.1209231831E-01
 -0.5781294126E-02  0.1209231831E-01  0.1305675221E-01
 Eigenvalues of Hessian: -0.5277269264E-02  0.7288347208E-02  0.3423150108E-01
 Eigenvectors(columns) of Hessian:
  0.9378701962E+00  0.3229465076E+00 -0.1269056669E+00
 -0.6761360877E-01  0.5288176291E+00  0.8460380104E+00
  0.3403349747E+00 -0.7848932847E+00  0.5177978724E+00
 Determinant of Hessian: -0.1316631531E-05
 Ellipticity of electron density:   -1.724069
 eta index:    0.154164
 
 ----------------   CP    31,     Type (3,+1)   ----------------
 Position (Bohr):       -2.846103718341   -2.902628512461   -1.485118323566
 Position (Angstrom):   -1.506093227612   -1.536004860512   -0.785890772326
 Density of all electrons:  0.7920751694E-02
 Density of Alpha electrons:  0.3960375847E-02
 Density of Beta electrons:  0.3960375847E-02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.7162159236E-02
 G(r) in X,Y,Z:  0.2337803382E-02  0.1254745576E-02  0.3569610279E-02
 Hamiltonian kinetic energy K(r): -0.1443313471E-02
 Potential energy density V(r): -0.5718845765E-02
 Energy density E(r) or H(r):  0.1443313471E-02
 Laplacian of electron density:  0.3442189083E-01
 Electron localization function (ELF):  0.1562733320E-01
 Localized orbital locator (LOL):  0.1120374610E+00
 Local information entropy:  0.3001468420E-03
 Reduced density gradient (RDG):  0.1280973666E-14
 Reduced density gradient with promolecular approximation:  0.3506109578E+00
 Sign(lambda2)*rho:  0.7920751694E-02
 Sign(lambda2)*rho with promolecular approximation:  0.1315782307E-01
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.8451285992E-05
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.6329112434E-03
 Wavefunction value for orbital         1 : -0.1079288785E-04
 Average local ionization energy (ALIE):  0.4046015862E+00
 Delta-g (under promolecular approximation):  0.1657083967E-01
 Delta-g (under Hirshfeld partition):  0.1483910252E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4718134479E+02
 ESP from electrons: -0.4115582768E+02
 Total ESP:  0.6025517104E+01 a.u. ( 0.1639627E+03 eV, 0.3781072E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.1040834086E-16  0.3740497495E-17 -0.7155734338E-17
 Norm of gradient is:  0.1317305640E-16
 
 Components of Laplacian in x/y/z are:
  0.1099123669E-01  0.1278720569E-02  0.2215193357E-01
 Total:  0.3442189083E-01
 
 Hessian matrix:
  0.1099123669E-01  0.1027518297E-01 -0.1016047667E-01
  0.1027518297E-01  0.1278720569E-02 -0.1814477554E-02
 -0.1016047667E-01 -0.1814477554E-02  0.2215193357E-01
 Eigenvalues of Hessian: -0.5862298086E-02  0.1035460004E-01  0.2992958888E-01
 Eigenvectors(columns) of Hessian:
  0.5822236084E+00  0.5896279858E+00 -0.5597807680E+00
 -0.7972237355E+00  0.5491326744E+00 -0.2507740446E+00
  0.1595305154E+00  0.5922770841E+00  0.7897834326E+00
 Determinant of Hessian: -0.1816778481E-05
 Ellipticity of electron density:   -1.566154
 eta index:    0.195870
 
 ----------------   CP    32,     Type (3,-1)   ----------------
 Connected atoms:     2(N )   --     7(C )
 Position (Bohr):        4.023880418468   -3.741905043000   -2.050409567691
 Position (Angstrom):    2.129345816852   -1.980130874119   -1.085030016240
 Density of all electrons:  0.3110329508E+00
 Density of Alpha electrons:  0.1555164754E+00
 Density of Beta electrons:  0.1555164754E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.1888023388E+00
 G(r) in X,Y,Z:  0.6711167147E-01  0.7019035321E-01  0.5150031411E-01
 Hamiltonian kinetic energy K(r):  0.4279766175E+00
 Potential energy density V(r): -0.6167789563E+00
 Energy density E(r) or H(r): -0.4279766175E+00
 Laplacian of electron density: -0.9566971149E+00
 Electron localization function (ELF):  0.8250050534E+00
 Localized orbital locator (LOL):  0.6846812072E+00
 Local information entropy:  0.7649897445E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.3110329508E+00
 Sign(lambda2)*rho with promolecular approximation: -0.2622834957E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1103732992E-06
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.1298076347E-01
 Wavefunction value for orbital         1 :  0.2255948179E-05
 Average local ionization energy (ALIE):  0.6689143415E+00
 Delta-g (under promolecular approximation):  0.3352135235E+00
 Delta-g (under Hirshfeld partition):  0.4755888703E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.5206784113E+02
 ESP from electrons: -0.4573164957E+02
 Total ESP:  0.6336191564E+01 a.u. ( 0.1724165E+03 eV, 0.3976024E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.9020562075E-16 -0.1873501354E-15 -0.7372574773E-16
 Norm of gradient is:  0.2206187053E-15
 
 Components of Laplacian in x/y/z are:
 -0.2877397395E+00 -0.6369487854E+00 -0.3200858998E-01
 Total: -0.9566971149E+00
 
 Hessian matrix:
 -0.2877397395E+00 -0.5182063980E-01 -0.4132410077E+00
 -0.5182063980E-01 -0.6369487854E+00  0.9884898375E-01
 -0.4132410077E+00  0.9884898375E-01 -0.3200858998E-01
 Eigenvalues of Hessian: -0.6546892652E+00 -0.5878959708E+00  0.2858881211E+00
 Eigenvectors(columns) of Hessian:
  0.1424892293E+00 -0.7966377934E+00 -0.5874223742E+00
 -0.9585514825E+00 -0.2590008688E+00  0.1187333369E+00
  0.2467303687E+00 -0.5461563660E+00  0.8005231721E+00
 Determinant of Hessian:  0.1100352448E+00
 Ellipticity of electron density:    0.113614
 eta index:    2.290019
 
 ----------------   CP    33,     Type (3,-1)   ----------------
 Connected atoms:    49(N )   --    50(N )
 Position (Bohr):       -1.003484146585   -4.233146007755   -6.724668159957
 Position (Angstrom):   -0.531020941875   -2.240084397729   -3.558541141134
 Density of all electrons:  0.5517915931E+00
 Density of Alpha electrons:  0.2758957966E+00
 Density of Beta electrons:  0.2758957966E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.5361094377E+00
 G(r) in X,Y,Z:  0.2536026833E+00  0.1765424894E+00  0.1059642651E+00
 Hamiltonian kinetic energy K(r):  0.8787862136E+00
 Potential energy density V(r): -0.1414895651E+01
 Energy density E(r) or H(r): -0.8787862136E+00
 Laplacian of electron density: -0.1370707104E+01
 Electron localization function (ELF):  0.7980789775E+00
 Localized orbital locator (LOL):  0.6653402260E+00
 Local information entropy:  0.1242527852E-01
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.5517915931E+00
 Sign(lambda2)*rho with promolecular approximation: -0.4344779618E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1513761409E-05
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.1361897319E-01
 Wavefunction value for orbital         1 : -0.1308146804E-05
 Average local ionization energy (ALIE):  0.8438455614E+00
 Delta-g (under promolecular approximation):  0.8080329042E+00
 Delta-g (under Hirshfeld partition):  0.1090405809E+01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4499027786E+02
 ESP from electrons: -0.3954861996E+02
 Total ESP:  0.5441657903E+01 a.u. ( 0.1480750E+03 eV, 0.3414695E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.5048045315E-15  0.3478987931E-14  0.3918740332E-14
 Norm of gradient is:  0.5264476273E-14
 
 Components of Laplacian in x/y/z are:
 -0.1079989940E+01 -0.4012970649E+00  0.1105799012E+00
 Total: -0.1370707104E+01
 
 Hessian matrix:
 -0.1079989940E+01 -0.5756855243E-01 -0.8478860642E-01
 -0.5756855243E-01 -0.4012970649E+00  0.8719752428E+00
 -0.8478860642E-01  0.8719752428E+00  0.1105799012E+00
 Eigenvalues of Hessian: -0.1086350493E+01 -0.1053426604E+01  0.7690699936E+00
 Eigenvectors(columns) of Hessian:
 -0.9879179431E+00  0.1447826298E+00 -0.5528225551E-01
  0.8331482088E-01  0.7969386139E+00  0.5982871269E+00
 -0.1306781477E+00 -0.5864527566E+00  0.7993724951E+00
 Determinant of Hessian:  0.8801164029E+00
 Ellipticity of electron density:    0.031254
 eta index:    1.412551
 
 ----------------   CP    34,     Type (3,-1)   ----------------
 Connected atoms:    17(H )   --    18(H )
 Position (Bohr):        7.047624062176   -4.833553496393   -5.788731395736
 Position (Angstrom):    3.729442044715   -2.557806357972   -3.063264734662
 Density of all electrons:  0.1239451460E-01
 Density of Alpha electrons:  0.6197257300E-02
 Density of Beta electrons:  0.6197257300E-02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.9944398559E-02
 G(r) in X,Y,Z:  0.8168914566E-03  0.6230667397E-02  0.2896839705E-02
 Hamiltonian kinetic energy K(r): -0.1977214371E-02
 Potential energy density V(r): -0.7967184188E-02
 Energy density E(r) or H(r):  0.1977214371E-02
 Laplacian of electron density:  0.4768645172E-01
 Electron localization function (ELF):  0.3536459861E-01
 Localized orbital locator (LOL):  0.1608368865E+00
 Local information entropy:  0.4495662056E-03
 Reduced density gradient (RDG):  0.4083874840E-15
 Reduced density gradient with promolecular approximation:  0.9788844833E-01
 Sign(lambda2)*rho: -0.1239451460E-01
 Sign(lambda2)*rho with promolecular approximation: -0.2345664625E-01
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1185387287E-07
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.3676422573E-03
 Wavefunction value for orbital         1 : -0.1298974782E-07
 Average local ionization energy (ALIE):  0.4931726182E+00
 Delta-g (under promolecular approximation):  0.3588138331E-01
 Delta-g (under Hirshfeld partition):  0.2444199988E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.3434705098E+02
 ESP from electrons: -0.3138919960E+02
 Total ESP:  0.2957851382E+01 a.u. ( 0.8048723E+02 eV, 0.1856081E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.4336808690E-18 -0.6071532166E-17  0.4770489559E-17
 Norm of gradient is:  0.7733637732E-17
 
 Components of Laplacian in x/y/z are:
 -0.8001687778E-02  0.4364016271E-01  0.1204797679E-01
 Total:  0.4768645172E-01
 
 Hessian matrix:
 -0.8001687778E-02  0.1465471583E-01 -0.1233807355E-01
  0.1465471583E-01  0.4364016271E-01 -0.3557240730E-01
 -0.1233807355E-01 -0.3557240730E-01  0.1204797679E-01
 Eigenvalues of Hessian: -0.1422756805E-01 -0.9412023853E-02  0.7132604363E-01
 Eigenvectors(columns) of Hessian:
  0.7869042216E+00 -0.5712976691E+00 -0.2332396177E+00
  0.1660556869E+00  0.5600810062E+00 -0.8116247750E+00
  0.5943124219E+00  0.5999401969E+00  0.5355973351E+00
 Determinant of Hessian:  0.9551285470E-05
 Ellipticity of electron density:    0.511637
 eta index:    0.199472
 
 ----------------   CP    35,     Type (3,+1)   ----------------
 Position (Bohr):       -1.225123608699   -1.176086397217    3.674020364290
 Position (Angstrom):   -0.648307494263   -0.622358119460    1.944207849176
 Density of all electrons:  0.6275257660E-02
 Density of Alpha electrons:  0.3137628830E-02
 Density of Beta electrons:  0.3137628830E-02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.6568085668E-02
 G(r) in X,Y,Z:  0.3701137088E-02  0.1012254288E-02  0.1854694293E-02
 Hamiltonian kinetic energy K(r): -0.1689116915E-02
 Potential energy density V(r): -0.4878968753E-02
 Energy density E(r) or H(r):  0.1689116915E-02
 Laplacian of electron density:  0.3302881033E-01
 Electron localization function (ELF):  0.8609044518E-02
 Localized orbital locator (LOL):  0.8536206758E-01
 Local information entropy:  0.2430876026E-03
 Reduced density gradient (RDG):  0.3755881567E-15
 Reduced density gradient with promolecular approximation:  0.9704940542E-01
 Sign(lambda2)*rho:  0.6275257660E-02
 Sign(lambda2)*rho with promolecular approximation: -0.1226748753E-01
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1426216561E-05
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.6493704848E-03
 Wavefunction value for orbital         1 : -0.4251351845E-04
 Average local ionization energy (ALIE):  0.4590919889E+00
 Delta-g (under promolecular approximation):  0.2156854313E-01
 Delta-g (under Hirshfeld partition):  0.1197305646E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4798549052E+02
 ESP from electrons: -0.4218629668E+02
 Total ESP:  0.5799193833E+01 a.u. ( 0.1578041E+03 eV, 0.3639052E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.1517883041E-17  0.2168404345E-18  0.1897353802E-17
 Norm of gradient is:  0.2439454888E-17
 
 Components of Laplacian in x/y/z are:
  0.2426545823E-01  0.1061415327E-02  0.7701936776E-02
 Total:  0.3302881033E-01
 
 Hessian matrix:
  0.2426545823E-01  0.1195989332E-01  0.7548556304E-02
  0.1195989332E-01  0.1061415327E-02  0.6659986106E-02
  0.7548556304E-02  0.6659986106E-02  0.7701936776E-02
 Eigenvalues of Hessian: -0.5012069281E-02  0.5068125891E-02  0.3297275372E-01
 Eigenvectors(columns) of Hessian:
  0.2929634577E+00  0.4418211899E+00  0.8479188927E+00
 -0.9073832355E+00 -0.1510588571E+00  0.3922204553E+00
  0.3013769671E+00 -0.8842936491E+00  0.3566464157E+00
 Determinant of Hessian: -0.8375672326E-06
 Ellipticity of electron density:   -1.988939
 eta index:    0.152006
 
 ----------------   CP    36,     Type (3,-1)   ----------------
 Connected atoms:    36(S )   --    55(H )
 Position (Bohr):       -0.922167321467   -0.446521083247    5.790385059327
 Position (Angstrom):   -0.487989931160   -0.236288781442    3.064139815749
 Density of all electrons:  0.2139607490E-01
 Density of Alpha electrons:  0.1069803745E-01
 Density of Beta electrons:  0.1069803745E-01
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.1029155235E-01
 G(r) in X,Y,Z:  0.6913301977E-02  0.4704288845E-03  0.2907821488E-02
 Hamiltonian kinetic energy K(r):  0.6870124705E-03
 Potential energy density V(r): -0.1097856482E-01
 Energy density E(r) or H(r): -0.6870124705E-03
 Laplacian of electron density:  0.3841815952E-01
 Electron localization function (ELF):  0.1744006843E+00
 Localized orbital locator (LOL):  0.3150950206E+00
 Local information entropy:  0.7337418492E-03
 Reduced density gradient (RDG):  0.3362527184E-15
 Reduced density gradient with promolecular approximation:  0.4849251315E+00
 Sign(lambda2)*rho: -0.2139607490E-01
 Sign(lambda2)*rho with promolecular approximation: -0.2600736570E-01
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.3383757807E-04
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.5199058051E-03
 Wavefunction value for orbital         1 :  0.7210145416E-04
 Average local ionization energy (ALIE):  0.3652487104E+00
 Delta-g (under promolecular approximation):  0.3268286348E-01
 Delta-g (under Hirshfeld partition):  0.3659774080E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4252910830E+02
 ESP from electrons: -0.3818750656E+02
 Total ESP:  0.4341601737E+01 a.u. ( 0.1181410E+03 eV, 0.2724399E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.1734723476E-17  0.3903127821E-17 -0.1105886216E-16
 Norm of gradient is:  0.1185504553E-16
 
 Components of Laplacian in x/y/z are:
  0.5437332140E-01 -0.2017066154E-01  0.4215499655E-02
 Total:  0.3841815952E-01
 
 Hessian matrix:
  0.5437332140E-01  0.1018226580E-01 -0.4197963535E-01
  0.1018226580E-01 -0.2017066154E-01 -0.5369201646E-02
 -0.4197963535E-01 -0.5369201646E-02  0.4215499655E-02
 Eigenvalues of Hessian: -0.2156228795E-01 -0.1954218030E-01  0.7952262777E-01
 Eigenvectors(columns) of Hessian:
 -0.1857383357E+00  0.4676162845E+00 -0.8641968995E+00
  0.9776140789E+00  0.1764251538E+00 -0.1146511138E+00
 -0.9885334311E-01  0.8661461629E+00  0.4899171777E+00
 Determinant of Hessian:  0.3350877720E-04
 Ellipticity of electron density:    0.103372
 eta index:    0.271147
 
 ----------------   CP    37,     Type (3,+1)   ----------------
 Position (Bohr):        6.525190573569   -4.329673533258   -5.253463200793
 Position (Angstrom):    3.452982148332   -2.291164564450   -2.780013004177
 Density of all electrons:  0.1082517447E-01
 Density of Alpha electrons:  0.5412587234E-02
 Density of Beta electrons:  0.5412587234E-02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.1202543956E-01
 G(r) in X,Y,Z:  0.1877341922E-02  0.6361432773E-02  0.3786664860E-02
 Hamiltonian kinetic energy K(r): -0.4524909960E-02
 Potential energy density V(r): -0.7500529596E-02
 Energy density E(r) or H(r):  0.4524909960E-02
 Laplacian of electron density:  0.6620139806E-01
 Electron localization function (ELF):  0.1571984792E-01
 Localized orbital locator (LOL):  0.1122798630E+00
 Local information entropy:  0.3979538775E-03
 Reduced density gradient (RDG):  0.7277490216E-15
 Reduced density gradient with promolecular approximation:  0.1876031781E+00
 Sign(lambda2)*rho:  0.1082517447E-01
 Sign(lambda2)*rho with promolecular approximation:  0.2811478145E-01
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.7437647449E-09
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.5586632406E-03
 Wavefunction value for orbital         1 : -0.6446313940E-06
 Average local ionization energy (ALIE):  0.5665927133E+00
 Delta-g (under promolecular approximation):  0.3617184006E-01
 Delta-g (under Hirshfeld partition):  0.2118769598E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.3742465934E+02
 ESP from electrons: -0.3418060472E+02
 Total ESP:  0.3244054619E+01 a.u. ( 0.8827522E+02 eV, 0.2035677E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.1517883041E-17  0.1214306433E-16 -0.1734723476E-17
 Norm of gradient is:  0.1235990477E-16
 
 Components of Laplacian in x/y/z are:
  0.1840245088E-02  0.4429652974E-01  0.2006462323E-01
 Total:  0.6620139806E-01
 
 Hessian matrix:
  0.1840245088E-02  0.4935134267E-02 -0.1657288612E-01
  0.4935134267E-02  0.4429652974E-01 -0.2398353741E-01
 -0.1657288612E-01 -0.2398353741E-01  0.2006462323E-01
 Eigenvalues of Hessian: -0.9535619426E-02  0.1380988711E-01  0.6192713038E-01
 Eigenvectors(columns) of Hessian:
 -0.7812363015E+00 -0.5850726507E+00 -0.2176231484E+00
 -0.1928819771E+00  0.5578130365E+00 -0.8072429369E+00
 -0.5936887941E+00  0.5886719033E+00  0.5486337631E+00
 Determinant of Hessian: -0.8154925424E-05
 Ellipticity of electron density:   -1.690492
 eta index:    0.153981
 
 ----------------   CP    38,     Type (3,-1)   ----------------
 Connected atoms:    48(N )   --    49(N )
 Position (Bohr):       -1.194469036627   -2.794522901841   -4.775572260628
 Position (Angstrom):   -0.632085793312   -1.478797835001   -2.527124009345
 Density of all electrons:  0.5246096484E+00
 Density of Alpha electrons:  0.2623048242E+00
 Density of Beta electrons:  0.2623048242E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.4774784348E+00
 G(r) in X,Y,Z:  0.2248700292E+00  0.1591872069E+00  0.9342119869E-01
 Hamiltonian kinetic energy K(r):  0.7920434331E+00
 Potential energy density V(r): -0.1269521868E+01
 Energy density E(r) or H(r): -0.7920434331E+00
 Laplacian of electron density: -0.1258259993E+01
 Electron localization function (ELF):  0.8080793755E+00
 Localized orbital locator (LOL):  0.6723449507E+00
 Local information entropy:  0.1190921245E-01
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.5246096484E+00
 Sign(lambda2)*rho with promolecular approximation: -0.4174609638E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1639675803E-05
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.1768883893E-01
 Wavefunction value for orbital         1 : -0.4236247839E-06
 Average local ionization energy (ALIE):  0.8389542250E+00
 Delta-g (under promolecular approximation):  0.7828316870E+00
 Delta-g (under Hirshfeld partition):  0.1047029471E+01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.5166150738E+02
 ESP from electrons: -0.4473993022E+02
 Total ESP:  0.6921577157E+01 a.u. ( 0.1883457E+03 eV, 0.4343359E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.1804112415E-15 -0.8604228441E-15 -0.1092875790E-14
 Norm of gradient is:  0.1402588029E-14
 
 Components of Laplacian in x/y/z are:
 -0.1015130568E+01 -0.3914603183E+00  0.1483308933E+00
 Total: -0.1258259993E+01
 
 Hessian matrix:
 -0.1015130568E+01 -0.1115772924E+00 -0.1589165667E+00
 -0.1115772924E+00 -0.3914603183E+00  0.8350596058E+00
 -0.1589165667E+00  0.8350596058E+00  0.1483308933E+00
 Eigenvalues of Hessian: -0.1036449597E+01 -0.9988699039E+00  0.7770595076E+00
 Eigenvectors(columns) of Hessian:
 -0.9903798036E+00  0.8688261849E-01 -0.1076998389E+00
  0.7559117982E-02  0.8111215414E+00  0.5848287825E+00
 -0.1381691153E+00 -0.5783884990E+00  0.8039751488E+00
 Determinant of Hessian:  0.8044728531E+00
 Ellipticity of electron density:    0.037622
 eta index:    1.333810
 
 ----------------   CP    39,     Type (3,-1)   ----------------
 Connected atoms:    54(O )   --    55(H )
 Position (Bohr):        0.611047480162   -0.268858585840    4.919788850429
 Position (Angstrom):    0.323352401281   -0.142273836582    2.603440142102
 Density of all electrons:  0.3379399788E+00
 Density of Alpha electrons:  0.1689699894E+00
 Density of Beta electrons:  0.1689699894E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.6971594965E-01
 G(r) in X,Y,Z:  0.2316338120E-01  0.2163216004E-01  0.2492040841E-01
 Hamiltonian kinetic energy K(r):  0.6308714700E+00
 Potential energy density V(r): -0.7005874197E+00
 Energy density E(r) or H(r): -0.6308714700E+00
 Laplacian of electron density: -0.2244622082E+01
 Electron localization function (ELF):  0.9785334557E+00
 Localized orbital locator (LOL):  0.8710105078E+00
 Local information entropy:  0.8210089968E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.3379399788E+00
 Sign(lambda2)*rho with promolecular approximation: -0.2172662448E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1302758960E-04
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.3597700660E-01
 Wavefunction value for orbital         1 : -0.4814339925E-05
 Average local ionization energy (ALIE):  0.5988519775E+00
 Delta-g (under promolecular approximation):  0.4968358535E+00
 Delta-g (under Hirshfeld partition):  0.7486396211E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4847551014E+02
 ESP from electrons: -0.4135221251E+02
 Total ESP:  0.7123297629E+01 a.u. ( 0.1938348E+03 eV, 0.4469940E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.3122502257E-16 -0.2428612866E-16  0.5551115123E-16
 Norm of gradient is:  0.6816381731E-16
 
 Components of Laplacian in x/y/z are:
  0.8717087065E-01 -0.1728541989E+01 -0.6032509627E+00
 Total: -0.2244622082E+01
 
 Hessian matrix:
  0.8717087065E-01 -0.4268239711E+00 -0.1498210295E+01
 -0.4268239711E+00 -0.1728541989E+01  0.3346901922E+00
 -0.1498210295E+01  0.3346901922E+00 -0.6032509627E+00
 Eigenvalues of Hessian: -0.1823871588E+01 -0.1794989627E+01  0.1374239133E+01
 Eigenvectors(columns) of Hessian:
 -0.2168564163E+00  0.5988812557E+00 -0.7709179829E+00
 -0.9762023611E+00 -0.1318248455E+00  0.1721951226E+00
  0.1498287281E-02  0.7899135723E+00  0.6132163594E+00
 Determinant of Hessian:  0.4499026101E+01
 Ellipticity of electron density:    0.016090
 eta index:    1.327186
 
 ----------------   CP    40,     Type (3,-1)   ----------------
 Position (Bohr):       -1.424949448024   -1.163043827882    0.429367455164
 Position (Angstrom):   -0.754050774583   -0.615456288997    0.227211472376
 Density of all electrons:  0.3797180360E-01
 Density of Alpha electrons:  0.1898590180E-01
 Density of Beta electrons:  0.1898590180E-01
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.3645980037E-01
 G(r) in X,Y,Z:  0.1664479592E-01  0.1294164317E-01  0.6873361280E-02
 Hamiltonian kinetic energy K(r): -0.2144135479E-02
 Potential energy density V(r): -0.3431566489E-01
 Energy density E(r) or H(r):  0.2144135479E-02
 Laplacian of electron density:  0.1544157434E+00
 Electron localization function (ELF):  0.1023839259E+00
 Localized orbital locator (LOL):  0.2525171639E+00
 Local information entropy:  0.1223257838E-02
 Reduced density gradient (RDG):  0.1614154163E-14
 Reduced density gradient with promolecular approximation:  0.2094566129E+00
 Sign(lambda2)*rho: -0.3797180360E-01
 Sign(lambda2)*rho with promolecular approximation: -0.3231391240E-01
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.4163075754E-03
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.6505777667E-02
 Wavefunction value for orbital         1 : -0.5308851865E-05
 Average local ionization energy (ALIE):  0.5645842178E+00
 Delta-g (under promolecular approximation):  0.7454960448E-01
 Delta-g (under Hirshfeld partition):  0.8744432881E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.6055245710E+02
 ESP from electrons: -0.4946542342E+02
 Total ESP:  0.1108703368E+02 a.u. ( 0.3016935E+03 eV, 0.6957225E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.8847089727E-16 -0.7112366252E-16  0.4857225733E-16
 Norm of gradient is:  0.1234703981E-15
 
 Components of Laplacian in x/y/z are:
  0.9818227460E-01  0.5620386053E-01  0.2960828034E-04
 Total:  0.1544157434E+00
 
 Hessian matrix:
  0.9818227460E-01  0.1180722579E+00 -0.8300071023E-01
  0.1180722579E+00  0.5620386053E-01 -0.7301041945E-01
 -0.8300071023E-01 -0.7301041945E-01  0.2960828034E-04
 Eigenvalues of Hessian: -0.5027106823E-01 -0.4195576745E-01  0.2466425791E+00
 Eigenvectors(columns) of Hessian:
  0.1011083858E+00 -0.7098598181E+00 -0.6970481568E+00
  0.4839267204E+00  0.6472573080E+00 -0.5889591722E+00
  0.8692479644E+00 -0.2777715173E+00  0.4089632753E+00
 Determinant of Hessian:  0.5202089699E-03
 Ellipticity of electron density:    0.198192
 eta index:    0.203822
 
 ----------------   CP    41,     Type (3,-1)   ----------------
 Position (Bohr):        1.820953559613   -1.674096741036   -0.686511478534
 Position (Angstrom):    0.963607125860   -0.885893844203   -0.363286229463
 Density of all electrons:  0.5197109593E-01
 Density of Alpha electrons:  0.2598554797E-01
 Density of Beta electrons:  0.2598554797E-01
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.4649433911E-01
 G(r) in X,Y,Z:  0.1595319259E-01  0.2562640997E-01  0.4914736558E-02
 Hamiltonian kinetic energy K(r):  0.2293857786E-02
 Potential energy density V(r): -0.4878819690E-01
 Energy density E(r) or H(r): -0.2293857786E-02
 Laplacian of electron density:  0.1768019253E+00
 Electron localization function (ELF):  0.1664513830E+00
 Localized orbital locator (LOL):  0.3088973549E+00
 Local information entropy:  0.1615146502E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.2628074009E+00
 Sign(lambda2)*rho: -0.5197109593E-01
 Sign(lambda2)*rho with promolecular approximation: -0.4553728499E-01
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.4106686415E-05
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.5480775397E-02
 Wavefunction value for orbital         1 : -0.2382230641E-05
 Average local ionization energy (ALIE):  0.5735375878E+00
 Delta-g (under promolecular approximation):  0.7572119570E-01
 Delta-g (under Hirshfeld partition):  0.1141683541E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.6252983586E+02
 ESP from electrons: -0.5076771347E+02
 Total ESP:  0.1176212239E+02 a.u. ( 0.3200636E+03 eV, 0.7380849E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.1344410694E-16  0.2081668171E-16 -0.2168404345E-17
 Norm of gradient is:  0.2487529349E-16
 
 Components of Laplacian in x/y/z are:
  0.6142438702E-01  0.1749116927E+00 -0.5953415439E-01
 Total:  0.1768019253E+00
 
 Hessian matrix:
  0.6142438702E-01 -0.1624588135E+00 -0.1870807765E-02
 -0.1624588135E+00  0.1749116927E+00  0.5965528049E-02
 -0.1870807765E-02  0.5965528049E-02 -0.5953415439E-01
 Eigenvalues of Hessian: -0.6022427640E-01 -0.5332636574E-01  0.2903525674E+00
 Eigenvectors(columns) of Hessian:
  0.2288822812E+00  0.7827337035E+00 -0.5787407458E+00
  0.1823977063E+00  0.5495095864E+00  0.8153344658E+00
 -0.9562133538E+00  0.2921765971E+00  0.1699582446E-01
 Determinant of Hessian:  0.9324794041E-03
 Ellipticity of electron density:    0.129353
 eta index:    0.207418
 
 ----------------   CP    42,     Type (3,-1)   ----------------
 Connected atoms:     7(C )   --     8(C )
 Position (Bohr):        4.850555339220   -2.780608483369   -3.619764021909
 Position (Angstrom):    2.566803345739   -1.471434641843   -1.915496629241
 Density of all electrons:  0.2995728271E+00
 Density of Alpha electrons:  0.1497864135E+00
 Density of Beta electrons:  0.1497864135E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.7850543538E-01
 G(r) in X,Y,Z:  0.3748339313E-01  0.1474289580E-01  0.2627914645E-01
 Hamiltonian kinetic energy K(r):  0.2748540324E+00
 Potential energy density V(r): -0.3533594678E+00
 Energy density E(r) or H(r): -0.2748540324E+00
 Laplacian of electron density: -0.7853943880E+00
 Electron localization function (ELF):  0.9600904350E+00
 Localized orbital locator (LOL):  0.8306629633E+00
 Local information entropy:  0.7408781819E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.2995728271E+00
 Sign(lambda2)*rho with promolecular approximation: -0.2088389811E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.3536992515E-06
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.9383624014E-02
 Wavefunction value for orbital         1 : -0.4921938217E-06
 Average local ionization energy (ALIE):  0.5667729224E+00
 Delta-g (under promolecular approximation):  0.3788564103E+00
 Delta-g (under Hirshfeld partition):  0.5465469895E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4938703195E+02
 ESP from electrons: -0.4395285867E+02
 Total ESP:  0.5434173274E+01 a.u. ( 0.1478714E+03 eV, 0.3409998E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.8500145032E-16  0.1214306433E-16 -0.3642919300E-16
 Norm of gradient is:  0.9327264696E-16
 
 Components of Laplacian in x/y/z are:
 -0.5357913034E+00  0.1501981903E-01 -0.2646229037E+00
 Total: -0.7853943880E+00
 
 Hessian matrix:
 -0.5357913034E+00  0.1564817078E+00 -0.6916047582E-01
  0.1564817078E+00  0.1501981903E-01 -0.4392048859E+00
 -0.6916047582E-01 -0.4392048859E+00 -0.2646229037E+00
 Eigenvalues of Hessian: -0.6134049165E+00 -0.5390999511E+00  0.3671104796E+00
 Eigenvectors(columns) of Hessian:
  0.6006142880E+00 -0.7784809739E+00 -0.1822905654E+00
 -0.5530829518E+00 -0.2398908743E+00 -0.7978418495E+00
 -0.5773748570E+00 -0.5800170184E+00  0.5746464416E+00
 Determinant of Hessian:  0.1213985018E+00
 Ellipticity of electron density:    0.137832
 eta index:    1.670900
 
 ----------------   CP    43,     Type (3,-1)   ----------------
 Connected atoms:    26(O )   --    36(S )
 Position (Bohr):       -2.626020754917    0.911968953376    4.389648820102
 Position (Angstrom):   -1.389630338861    0.482593187178    2.322902119465
 Density of all electrons:  0.8052391967E-02
 Density of Alpha electrons:  0.4026195983E-02
 Density of Beta electrons:  0.4026195983E-02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.5417178495E-02
 G(r) in X,Y,Z:  0.7028756567E-03  0.1859615751E-02  0.2854687087E-02
 Hamiltonian kinetic energy K(r): -0.3820043667E-03
 Potential energy density V(r): -0.5035174128E-02
 Energy density E(r) or H(r):  0.3820043667E-03
 Laplacian of electron density:  0.2319673145E-01
 Electron localization function (ELF):  0.2845773645E-01
 Localized orbital locator (LOL):  0.1463665143E+00
 Local information entropy:  0.3046542840E-03
 Reduced density gradient (RDG):  0.1223416677E-14
 Reduced density gradient with promolecular approximation:  0.1161816498E+00
 Sign(lambda2)*rho: -0.8052391967E-02
 Sign(lambda2)*rho with promolecular approximation: -0.7182691082E-02
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.2464937625E-06
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.3552725701E-03
 Wavefunction value for orbital         1 :  0.9671456736E-04
 Average local ionization energy (ALIE):  0.3391789905E+00
 Delta-g (under promolecular approximation):  0.1514243339E-01
 Delta-g (under Hirshfeld partition):  0.1633745618E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4438166241E+02
 ESP from electrons: -0.3967566510E+02
 Total ESP:  0.4705997315E+01 a.u. ( 0.1280567E+03 eV, 0.2953060E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.1355252716E-17  0.7697835425E-17 -0.9649399335E-17
 Norm of gradient is:  0.1241790190E-16
 
 Components of Laplacian in x/y/z are:
 -0.2598546577E-02  0.8629504170E-02  0.1716577385E-01
 Total:  0.2319673145E-01
 
 Hessian matrix:
 -0.2598546577E-02  0.5006125044E-02 -0.6154581914E-02
  0.5006125044E-02  0.8629504170E-02 -0.1732026729E-01
 -0.6154581914E-02 -0.1732026729E-01  0.1716577385E-01
 Eigenvalues of Hessian: -0.4974929126E-02 -0.4355659352E-02  0.3252731993E-01
 Eigenvectors(columns) of Hessian:
 -0.2292036806E+00  0.9481262615E+00 -0.2202776999E+00
  0.7965623201E+00  0.5264121629E-01 -0.6022602199E+00
  0.5594230447E+00  0.3135051747E+00  0.7673072152E+00
 Determinant of Hessian:  0.7048376368E-06
 Ellipticity of electron density:    0.142176
 eta index:    0.152946
 
 ----------------   CP    44,     Type (3,-1)   ----------------
 Position (Bohr):        1.037646309577   -0.160691480040    1.865832110381
 Position (Angstrom):    0.549098780006   -0.085034269224    0.987355832185
 Density of all electrons:  0.3358310517E-01
 Density of Alpha electrons:  0.1679155259E-01
 Density of Beta electrons:  0.1679155259E-01
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.2878299175E-01
 G(r) in X,Y,Z:  0.4695755539E-02  0.3997117861E-02  0.2009011835E-01
 Hamiltonian kinetic energy K(r): -0.8848727638E-03
 Potential energy density V(r): -0.2789811899E-01
 Energy density E(r) or H(r):  0.8848727638E-03
 Laplacian of electron density:  0.1186714581E+00
 Electron localization function (ELF):  0.1083496857E+00
 Localized orbital locator (LOL):  0.2585520885E+00
 Local information entropy:  0.1096820933E-02
 Reduced density gradient (RDG):  0.3250805551E-15
 Reduced density gradient with promolecular approximation:  0.1731074464E+00
 Sign(lambda2)*rho: -0.3358310517E-01
 Sign(lambda2)*rho with promolecular approximation: -0.2913617132E-01
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.9109359064E-04
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.4410833768E-02
 Wavefunction value for orbital         1 : -0.2724566469E-05
 Average local ionization energy (ALIE):  0.5347462400E+00
 Delta-g (under promolecular approximation):  0.6286163158E-01
 Delta-g (under Hirshfeld partition):  0.7402725198E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.5999783202E+02
 ESP from electrons: -0.4922055693E+02
 Total ESP:  0.1077727508E+02 a.u. ( 0.2932646E+03 eV, 0.6762848E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.8673617380E-18  0.0000000000E+00 -0.1647987302E-16
 Norm of gradient is:  0.1650268255E-16
 
 Components of Laplacian in x/y/z are:
 -0.1640209180E-01 -0.2567644524E-01  0.1607499951E+00
 Total:  0.1186714581E+00
 
 Hessian matrix:
 -0.1640209180E-01 -0.1416713526E-01  0.6494575199E-01
 -0.1416713526E-01 -0.2567644524E-01 -0.4081890575E-01
  0.6494575199E-01 -0.4081890575E-01  0.1607499951E+00
 Eigenvalues of Hessian: -0.3782126314E-01 -0.3414384921E-01  0.1906365704E+00
 Eigenvectors(columns) of Hessian:
  0.9419519963E+00  0.1388572404E+00  0.3056879184E+00
  0.2049258641E+00 -0.9589831533E+00 -0.1958486707E+00
 -0.2659545580E+00 -0.2471234072E+00  0.9317715357E+00
 Determinant of Hessian:  0.2461811098E-03
 Ellipticity of electron density:    0.107704
 eta index:    0.198395
 
 ----------------   CP    45,     Type (3,-1)   ----------------
 Position (Bohr):       -0.453222962839   -1.060982472046   -2.452875680490
 Position (Angstrom):   -0.239835263392   -0.561447745374   -1.298005911293
 Density of all electrons:  0.5757430845E-01
 Density of Alpha electrons:  0.2878715422E-01
 Density of Beta electrons:  0.2878715422E-01
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.5778462105E-01
 G(r) in X,Y,Z:  0.1097784111E-01  0.1870437958E-01  0.2810240036E-01
 Hamiltonian kinetic energy K(r):  0.3734435025E-02
 Potential energy density V(r): -0.6151905608E-01
 Energy density E(r) or H(r): -0.3734435025E-02
 Laplacian of electron density:  0.2162007441E+00
 Electron localization function (ELF):  0.1538923577E+00
 Localized orbital locator (LOL):  0.2990085417E+00
 Local information entropy:  0.1767923382E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1991851660E+00
 Sign(lambda2)*rho: -0.5757430845E-01
 Sign(lambda2)*rho with promolecular approximation: -0.5203961768E-01
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1420635610E-04
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.6347048116E-02
 Wavefunction value for orbital         1 :  0.1815453159E-05
 Average local ionization energy (ALIE):  0.5828807978E+00
 Delta-g (under promolecular approximation):  0.9858978018E-01
 Delta-g (under Hirshfeld partition):  0.1334273086E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.6199725149E+02
 ESP from electrons: -0.5005322264E+02
 Total ESP:  0.1194402885E+02 a.u. ( 0.3250136E+03 eV, 0.7494998E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.3469446952E-17  0.3122502257E-16 -0.5204170428E-17
 Norm of gradient is:  0.3184528986E-16
 
 Components of Laplacian in x/y/z are:
 -0.1200524168E-01  0.6364295036E-01  0.1645630354E+00
 Total:  0.2162007441E+00
 
 Hessian matrix:
 -0.1200524168E-01  0.8385799344E-01  0.1055570666E+00
  0.8385799344E-01  0.6364295036E-01  0.1727268571E+00
  0.1055570666E+00  0.1727268571E+00  0.1645630354E+00
 Eigenvalues of Hessian: -0.6820136776E-01 -0.6053015220E-01  0.3449322641E+00
 Eigenvectors(columns) of Hessian:
  0.5191300747E+00  0.7782848064E+00  0.3532374919E+00
 -0.7820199457E+00  0.2657513789E+00  0.5637561610E+00
  0.3448895041E+00 -0.5689015422E+00  0.7465937752E+00
 Determinant of Hessian:  0.1423962884E-02
 Ellipticity of electron density:    0.126734
 eta index:    0.197724
 
 ----------------   CP    46,     Type (3,+1)   ----------------
 Position (Bohr):        3.212643453623   -1.317559585665   -2.111382688123
 Position (Angstrom):    1.700057702414   -0.697222506740   -1.117295602050
 Density of all electrons:  0.1789858065E-01
 Density of Alpha electrons:  0.8949290323E-02
 Density of Beta electrons:  0.8949290323E-02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.1758502371E-01
 G(r) in X,Y,Z:  0.2900724636E-02  0.8800155656E-02  0.5884143419E-02
 Hamiltonian kinetic energy K(r): -0.3652389984E-02
 Potential energy density V(r): -0.1393263373E-01
 Energy density E(r) or H(r):  0.3652389984E-02
 Laplacian of electron density:  0.8494965478E-01
 Electron localization function (ELF):  0.3840702954E-01
 Localized orbital locator (LOL):  0.1666432016E+00
 Local information entropy:  0.6253760659E-03
 Reduced density gradient (RDG):  0.6724114946E-15
 Reduced density gradient with promolecular approximation:  0.2794619085E+00
 Sign(lambda2)*rho:  0.1789858065E-01
 Sign(lambda2)*rho with promolecular approximation:  0.3037020634E-01
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.5171514078E-05
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.1663461499E-02
 Wavefunction value for orbital         1 :  0.5495825758E-05
 Average local ionization energy (ALIE):  0.5060251041E+00
 Delta-g (under promolecular approximation):  0.3859689313E-01
 Delta-g (under Hirshfeld partition):  0.3524877404E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.5502757031E+02
 ESP from electrons: -0.4705044205E+02
 Total ESP:  0.7977128261E+01 a.u. ( 0.2170687E+03 eV, 0.5005728E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.1170938346E-16 -0.6396792818E-17 -0.1496198998E-16
 Norm of gradient is:  0.2004718842E-16
 
 Components of Laplacian in x/y/z are:
 -0.8059379268E-04  0.5680357081E-01  0.2822667777E-01
 Total:  0.8494965478E-01
 
 Hessian matrix:
 -0.8059379268E-04  0.4539186491E-02 -0.1819940163E-01
  0.4539186491E-02  0.5680357081E-01 -0.4138975700E-01
 -0.1819940163E-01 -0.4138975700E-01  0.2822667777E-01
 Eigenvalues of Hessian: -0.1388415148E-01  0.1019678053E-01  0.8863702574E-01
 Eigenvectors(columns) of Hessian:
 -0.7154223575E+00 -0.6797517627E+00 -0.1615809132E+00
 -0.3182581834E+00  0.5229217512E+00 -0.7907367266E+00
 -0.6219988578E+00  0.5142862852E+00  0.5904464732E+00
 Determinant of Hessian: -0.1254866686E-04
 Ellipticity of electron density:   -2.361621
 eta index:    0.156641
 
 ----------------   CP    47,     Type (3,-1)   ----------------
 Connected atoms:     9(C )   --    18(H )
 Position (Bohr):        7.368414438341   -2.840192505366   -6.805564743998
 Position (Angstrom):    3.899197001259   -1.502965148417   -3.601349769849
 Density of all electrons:  0.2853137289E+00
 Density of Alpha electrons:  0.1426568645E+00
 Density of Beta electrons:  0.1426568645E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.4157841512E-01
 G(r) in X,Y,Z:  0.1609919836E-01  0.7119823545E-02  0.1835939321E-01
 Hamiltonian kinetic energy K(r):  0.3111667357E+00
 Potential energy density V(r): -0.3527451508E+00
 Energy density E(r) or H(r): -0.3111667357E+00
 Laplacian of electron density: -0.1078353282E+01
 Electron localization function (ELF):  0.9864643210E+00
 Localized orbital locator (LOL):  0.8951667963E+00
 Local information entropy:  0.7106551735E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.2853137289E+00
 Sign(lambda2)*rho with promolecular approximation: -0.1850147412E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.3213469916E-06
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.8231604677E-02
 Wavefunction value for orbital         1 : -0.6443464019E-06
 Average local ionization energy (ALIE):  0.4928576312E+00
 Delta-g (under promolecular approximation):  0.2897888314E+00
 Delta-g (under Hirshfeld partition):  0.5140993466E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.3745868029E+02
 ESP from electrons: -0.3369000854E+02
 Total ESP:  0.3768671754E+01 a.u. ( 0.1025508E+03 eV, 0.2364879E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.2081668171E-16  0.1353084311E-15 -0.4857225733E-16
 Norm of gradient is:  0.1452617291E-15
 
 Components of Laplacian in x/y/z are:
 -0.4938376879E+00  0.6495443616E-01 -0.6494700304E+00
 Total: -0.1078353282E+01
 
 Hessian matrix:
 -0.4938376879E+00 -0.4190268572E+00 -0.1229153011E+00
 -0.4190268572E+00  0.6495443616E-01  0.2365192870E+00
 -0.1229153011E+00  0.2365192870E+00 -0.6494700304E+00
 Eigenvalues of Hessian: -0.7222153551E+00 -0.7157305827E+00  0.3595926556E+00
 Eigenvectors(columns) of Hessian:
 -0.4340294079E+00 -0.7772595986E+00 -0.4555063002E+00
 -0.4632120811E+00 -0.2411229988E+00  0.8528154944E+00
  0.7726920739E+00 -0.5811430253E+00  0.2553815638E+00
 Determinant of Hessian:  0.1858776210E+00
 Ellipticity of electron density:    0.009060
 eta index:    2.008426
 
 ----------------   CP    48,     Type (3,-1)   ----------------
 Connected atoms:    54(O )   --    56(H )
 Position (Bohr):        2.350927122721    0.791194915644    3.675500701883
 Position (Angstrom):    1.244057057838    0.418682318741    1.944991210094
 Density of all electrons:  0.3399523296E+00
 Density of Alpha electrons:  0.1699761648E+00
 Density of Beta electrons:  0.1699761648E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.7196491581E-01
 G(r) in X,Y,Z:  0.2350355654E-01  0.2252066111E-01  0.2594069816E-01
 Hamiltonian kinetic energy K(r):  0.5941880539E+00
 Potential energy density V(r): -0.6661529697E+00
 Energy density E(r) or H(r): -0.5941880539E+00
 Laplacian of electron density: -0.2088892552E+01
 Electron localization function (ELF):  0.9775960537E+00
 Localized orbital locator (LOL):  0.8685351641E+00
 Local information entropy:  0.8251666276E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.3399523296E+00
 Sign(lambda2)*rho with promolecular approximation: -0.2153250256E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.2681716877E-04
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.3748786440E-01
 Wavefunction value for orbital         1 : -0.2897279694E-04
 Average local ionization energy (ALIE):  0.6055614598E+00
 Delta-g (under promolecular approximation):  0.5050936841E+00
 Delta-g (under Hirshfeld partition):  0.7614168436E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.5063103098E+02
 ESP from electrons: -0.4273980647E+02
 Total ESP:  0.7891224513E+01 a.u. ( 0.2147311E+03 eV, 0.4951822E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.1457167720E-15 -0.2949029909E-15 -0.2983724379E-15
 Norm of gradient is:  0.4441027622E-15
 
 Components of Laplacian in x/y/z are:
 -0.1252117068E+01  0.7471335850E+00 -0.1583909070E+01
 Total: -0.2088892552E+01
 
 Hessian matrix:
 -0.1252117068E+01  0.1116708068E+01 -0.2663404536E+00
  0.1116708068E+01  0.7471335850E+00 -0.6360391185E+00
 -0.2663404536E+00 -0.6360391185E+00 -0.1583909070E+01
 Eigenvalues of Hessian: -0.1763581665E+01 -0.1730564819E+01  0.1405253932E+01
 Eigenvectors(columns) of Hessian:
  0.6671036897E+00  0.6306440642E+00 -0.3965611321E+00
 -0.4475761696E+00 -0.8624559719E-01 -0.8900771143E+00
 -0.5955235005E+00  0.7712650395E+00  0.2247264985E+00
 Determinant of Hessian:  0.4288824302E+01
 Ellipticity of electron density:    0.019079
 eta index:    1.254991
 
 ----------------   CP    49,     Type (3,-1)   ----------------
 Connected atoms:    34(H )   --    36(S )
 Position (Bohr):       -4.631820291592    2.433870587524    5.608122268431
 Position (Angstrom):   -2.451053743309    1.287948849205    2.967690500412
 Density of all electrons:  0.3218392989E-02
 Density of Alpha electrons:  0.1609196494E-02
 Density of Beta electrons:  0.1609196494E-02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.2230474945E-02
 G(r) in X,Y,Z:  0.2346215525E-03  0.1588636131E-02  0.4072172611E-03
 Hamiltonian kinetic energy K(r): -0.6219833496E-03
 Potential energy density V(r): -0.1608491595E-02
 Energy density E(r) or H(r):  0.6219833496E-03
 Laplacian of electron density:  0.1140983318E-01
 Electron localization function (ELF):  0.8018457457E-02
 Localized orbital locator (LOL):  0.8282974476E-01
 Local information entropy:  0.1324587237E-03
 Reduced density gradient (RDG):  0.2150675005E-14
 Reduced density gradient with promolecular approximation:  0.6693043173E+00
 Sign(lambda2)*rho: -0.3218392989E-02
 Sign(lambda2)*rho with promolecular approximation: -0.5375314592E-02
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1704866940E-05
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.1183792181E-03
 Wavefunction value for orbital         1 :  0.7668895213E-04
 Average local ionization energy (ALIE):  0.3669071007E+00
 Delta-g (under promolecular approximation):  0.7645033208E-02
 Delta-g (under Hirshfeld partition):  0.5920301064E-02
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.3624611558E+02
 ESP from electrons: -0.3287905005E+02
 Total ESP:  0.3367065536E+01 a.u. ( 0.9162251E+02 eV, 0.2112867E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.1165517335E-17  0.5421010862E-17 -0.2154851818E-17
 Norm of gradient is:  0.5948880213E-17
 
 Components of Laplacian in x/y/z are:
 -0.7920192997E-03  0.1154152406E-01  0.6603284137E-03
 Total:  0.1140983318E-01
 
 Hessian matrix:
 -0.7920192997E-03 -0.3783564685E-02  0.1362819803E-02
 -0.3783564685E-02  0.1154152406E-01 -0.5918324299E-02
  0.1362819803E-02 -0.5918324299E-02  0.6603284137E-03
 Eigenvalues of Hessian: -0.2143710015E-02 -0.1596511834E-02  0.1515005503E-01
 Eigenvectors(columns) of Hessian:
  0.5947495142E+00  0.7659475491E+00 -0.2441257204E+00
  0.4519488304E+00 -0.6743094562E-01  0.8894916089E+00
  0.6648422896E+00 -0.6393570360E+00 -0.3862736211E+00
 Determinant of Hessian:  0.5185043322E-07
 Ellipticity of electron density:    0.342746
 eta index:    0.141498
 
 ----------------   CP    50,     Type (3,-1)   ----------------
 Connected atoms:     8(C )   --     9(C )
 Position (Bohr):        5.958754705519   -1.728321981211   -5.454625569686
 Position (Angstrom):    3.153237195521   -0.914588605560   -2.886463545486
 Density of all electrons:  0.2932606941E+00
 Density of Alpha electrons:  0.1466303470E+00
 Density of Beta electrons:  0.1466303470E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.9036994430E-01
 G(r) in X,Y,Z:  0.3324758680E-01  0.3468115032E-01  0.2244120718E-01
 Hamiltonian kinetic energy K(r):  0.2656558921E+00
 Potential energy density V(r): -0.3560258364E+00
 Energy density E(r) or H(r): -0.2656558921E+00
 Laplacian of electron density: -0.7011437912E+00
 Electron localization function (ELF):  0.9441687856E+00
 Localized orbital locator (LOL):  0.8044112762E+00
 Local information entropy:  0.7275302879E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.2932606941E+00
 Sign(lambda2)*rho with promolecular approximation: -0.2091786161E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.9222500140E-06
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.6753922912E-02
 Wavefunction value for orbital         1 :  0.2196173106E-06
 Average local ionization energy (ALIE):  0.5587594615E+00
 Delta-g (under promolecular approximation):  0.3714522146E+00
 Delta-g (under Hirshfeld partition):  0.5344145562E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4512447119E+02
 ESP from electrons: -0.4056381729E+02
 Total ESP:  0.4560653903E+01 a.u. ( 0.1241017E+03 eV, 0.2861856E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.3642919300E-16 -0.2775557562E-16  0.1387778781E-16
 Norm of gradient is:  0.4785447810E-16
 
 Components of Laplacian in x/y/z are:
 -0.1541914633E+00 -0.5733878438E+00  0.2643551593E-01
 Total: -0.7011437912E+00
 
 Hessian matrix:
 -0.1541914633E+00  0.7900264291E-02 -0.4168661763E+00
  0.7900264291E-02 -0.5733878438E+00  0.2409242709E-01
 -0.4168661763E+00  0.2409242709E-01  0.2643551593E-01
 Eigenvalues of Hessian: -0.5787157033E+00 -0.4852905795E+00  0.3628624916E+00
 Eigenvectors(columns) of Hessian:
  0.1733593744E+00 -0.7591175765E+00 -0.6274448441E+00
 -0.9720823448E+00 -0.2341765865E+00  0.1473910542E-01
  0.1581216058E+00 -0.6073728932E+00  0.7785215003E+00
 Determinant of Hessian:  0.1019082177E+00
 Ellipticity of electron density:    0.192514
 eta index:    1.594862
 
 ----------------   CP    51,     Type (3,+1)   ----------------
 Position (Bohr):       -4.117559538952    2.377172122023    5.113960085418
 Position (Angstrom):   -2.178918672549    1.257945313368    2.706191134671
 Density of all electrons:  0.3040831602E-02
 Density of Alpha electrons:  0.1520415801E-02
 Density of Beta electrons:  0.1520415801E-02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.2364014010E-02
 G(r) in X,Y,Z:  0.4524600177E-03  0.1312192924E-02  0.5993610682E-03
 Hamiltonian kinetic energy K(r): -0.7397994434E-03
 Potential energy density V(r): -0.1624214566E-02
 Energy density E(r) or H(r):  0.7397994434E-03
 Laplacian of electron density:  0.1241525381E-01
 Electron localization function (ELF):  0.5923318353E-02
 Localized orbital locator (LOL):  0.7194175977E-01
 Local information entropy:  0.1257761230E-03
 Reduced density gradient (RDG):  0.6720432623E-15
 Reduced density gradient with promolecular approximation:  0.6648780477E+00
 Sign(lambda2)*rho:  0.3040831602E-02
 Sign(lambda2)*rho with promolecular approximation:  0.5428054606E-02
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1046854871E-05
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.1414892834E-03
 Wavefunction value for orbital         1 :  0.6851100345E-04
 Average local ionization energy (ALIE):  0.3834073331E+00
 Delta-g (under promolecular approximation):  0.7555649102E-02
 Delta-g (under Hirshfeld partition):  0.5666607262E-02
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.3837490260E+02
 ESP from electrons: -0.3470552899E+02
 Total ESP:  0.3669373618E+01 a.u. ( 0.9984873E+02 eV, 0.2302569E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.1057097118E-17  0.1355252716E-17 -0.1084202172E-18
 Norm of gradient is:  0.1722184422E-17
 
 Components of Laplacian in x/y/z are:
  0.1134386437E-02  0.9026982174E-02  0.2253885201E-02
 Total:  0.1241525381E-01
 
 Hessian matrix:
  0.1134386437E-02 -0.3223419639E-02 -0.9967145129E-03
 -0.3223419639E-02  0.9026982174E-02 -0.4128669973E-02
 -0.9967145129E-03 -0.4128669973E-02  0.2253885201E-02
 Eigenvalues of Hessian: -0.1810656978E-02  0.2627084791E-02  0.1159882600E-01
 Eigenvectors(columns) of Hessian:
  0.6736402530E+00  0.6986596813E+00 -0.2410051023E+00
  0.4294880748E+00 -0.1046901384E+00  0.8969838173E+00
  0.6014555704E+00 -0.7077532230E+00 -0.3705894927E+00
 Determinant of Hessian: -0.5517270872E-07
 Ellipticity of electron density:   -1.689227
 eta index:    0.156107
 
 ----------------   CP    52,     Type (3,-1)   ----------------
 Connected atoms:     8(C )   --    13(N )
 Position (Bohr):        4.650916993831   -0.842097426681   -4.174552456599
 Position (Angstrom):    2.461159282937   -0.445618767560   -2.209078025751
 Density of all electrons:  0.3100283912E+00
 Density of Alpha electrons:  0.1550141956E+00
 Density of Beta electrons:  0.1550141956E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.1885998414E+00
 G(r) in X,Y,Z:  0.7097294550E-01  0.4363652082E-01  0.7399037507E-01
 Hamiltonian kinetic energy K(r):  0.4265613443E+00
 Potential energy density V(r): -0.6151611857E+00
 Energy density E(r) or H(r): -0.4265613443E+00
 Laplacian of electron density: -0.9518460117E+00
 Electron localization function (ELF):  0.8237545899E+00
 Localized orbital locator (LOL):  0.6837481266E+00
 Local information entropy:  0.7628823990E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.3100283912E+00
 Sign(lambda2)*rho with promolecular approximation: -0.2620997949E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.7199145487E-07
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.1201144257E-01
 Wavefunction value for orbital         1 : -0.1621331796E-05
 Average local ionization energy (ALIE):  0.6744183216E+00
 Delta-g (under promolecular approximation):  0.3330516961E+00
 Delta-g (under Hirshfeld partition):  0.4724289387E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.5168879452E+02
 ESP from electrons: -0.4536942719E+02
 Total ESP:  0.6319367335E+01 a.u. ( 0.1719587E+03 eV, 0.3965466E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.1422473250E-15 -0.8326672685E-16 -0.3122502257E-16
 Norm of gradient is:  0.1677577161E-15
 
 Components of Laplacian in x/y/z are:
 -0.4194392932E+00  0.4386417051E-01 -0.5762708891E+00
 Total: -0.9518460117E+00
 
 Hessian matrix:
 -0.4194392932E+00 -0.3574580481E+00 -0.6867323984E-01
 -0.3574580481E+00  0.4386417051E-01  0.1934374912E+00
 -0.6867323984E-01  0.1934374912E+00 -0.5762708891E+00
 Eigenvalues of Hessian: -0.6504818161E+00 -0.5872742459E+00  0.2859100502E+00
 Eigenvectors(columns) of Hessian:
 -0.4882588078E+00 -0.7430586692E+00 -0.4576758140E+00
 -0.4582683437E+00 -0.2280068528E+00  0.8590710100E+00
  0.7426933834E+00 -0.6291873244E+00  0.2291939115E+00
 Determinant of Hessian:  0.1092208465E+00
 Ellipticity of electron density:    0.107629
 eta index:    2.275127
 
 ----------------   CP    53,     Type (3,-1)   ----------------
 Position (Bohr):       -0.870154699106    1.627649600244    0.834356004405
 Position (Angstrom):   -0.460466036727    0.861315075784    0.441522183311
 Density of all electrons:  0.6553240857E-01
 Density of Alpha electrons:  0.3276620429E-01
 Density of Beta electrons:  0.3276620429E-01
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.6890229136E-01
 G(r) in X,Y,Z:  0.1881710768E-01  0.2098109390E-01  0.2910408978E-01
 Hamiltonian kinetic energy K(r):  0.2398019774E-02
 Potential energy density V(r): -0.7130031114E-01
 Energy density E(r) or H(r): -0.2398019774E-02
 Laplacian of electron density:  0.2660170863E+00
 Electron localization function (ELF):  0.1645563751E+00
 Localized orbital locator (LOL):  0.3074198210E+00
 Local information entropy:  0.1981550768E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.2610503293E+00
 Sign(lambda2)*rho: -0.6553240857E-01
 Sign(lambda2)*rho with promolecular approximation: -0.5296761836E-01
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.5223171274E-04
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.1045134232E-01
 Wavefunction value for orbital         1 : -0.1209123668E-05
 Average local ionization energy (ALIE):  0.6298814902E+00
 Delta-g (under promolecular approximation):  0.1262738477E+00
 Delta-g (under Hirshfeld partition):  0.1625823613E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.6368354533E+02
 ESP from electrons: -0.5149956815E+02
 Total ESP:  0.1218397718E+02 a.u. ( 0.3315429E+03 eV, 0.7645568E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.5898059818E-16 -0.1023486851E-15 -0.1110223025E-15
 Norm of gradient is:  0.1621108138E-15
 
 Components of Laplacian in x/y/z are:
  0.4990047705E-01  0.6641616532E-01  0.1497004440E+00
 Total:  0.2660170863E+00
 
 Hessian matrix:
  0.4990047705E-01 -0.1489696549E+00 -0.1794371640E+00
 -0.1489696549E+00  0.6641616532E-01  0.1980554850E+00
 -0.1794371640E+00  0.1980554850E+00  0.1497004440E+00
 Eigenvalues of Hessian: -0.9495441672E-01 -0.8632512849E-01  0.4472966316E+00
 Eigenvectors(columns) of Hessian:
 -0.2330416503E+00  0.8303784718E+00 -0.5061256591E+00
 -0.8323435341E+00  0.9882202870E-01  0.5453791781E+00
  0.5028874929E+00  0.5483664835E+00  0.6681305032E+00
 Determinant of Hessian:  0.3666469119E-02
 Ellipticity of electron density:    0.099963
 eta index:    0.212285
 
 ----------------   CP    54,     Type (3,-1)   ----------------
 Position (Bohr):        2.262774460629    0.461066400621   -2.254153007220
 Position (Angstrom):    1.197408677978    0.243985831922   -1.192846401309
 Density of all electrons:  0.5097807016E-01
 Density of Alpha electrons:  0.2548903508E-01
 Density of Beta electrons:  0.2548903508E-01
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.4553635672E-01
 G(r) in X,Y,Z:  0.2118277265E-01  0.5008158848E-02  0.1934542522E-01
 Hamiltonian kinetic energy K(r):  0.2002173950E-02
 Potential energy density V(r): -0.4753853067E-01
 Energy density E(r) or H(r): -0.2002173950E-02
 Laplacian of electron density:  0.1741367311E+00
 Electron localization function (ELF):  0.1633287708E+00
 Localized orbital locator (LOL):  0.3064830065E+00
 Local information entropy:  0.1587848787E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.2393562722E+00
 Sign(lambda2)*rho: -0.5097807016E-01
 Sign(lambda2)*rho with promolecular approximation: -0.4415764841E-01
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1109331288E-03
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.4294109016E-02
 Wavefunction value for orbital         1 :  0.1348987490E-05
 Average local ionization energy (ALIE):  0.5645438157E+00
 Delta-g (under promolecular approximation):  0.7503651781E-01
 Delta-g (under Hirshfeld partition):  0.1123452564E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.6210734980E+02
 ESP from electrons: -0.5044838254E+02
 Total ESP:  0.1165896726E+02 a.u. ( 0.3172566E+03 eV, 0.7316119E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.2602085214E-16  0.2168404345E-17  0.2428612866E-16
 Norm of gradient is:  0.3565953966E-16
 
 Components of Laplacian in x/y/z are:
  0.1296417730E+00 -0.5653835365E-01  0.1010333118E+00
 Total:  0.1741367311E+00
 
 Hessian matrix:
  0.1296417730E+00  0.8695997764E-02 -0.1777190118E+00
  0.8695997764E-02 -0.5653835365E-01 -0.7460205804E-02
 -0.1777190118E+00 -0.7460205804E-02  0.1010333118E+00
 Eigenvalues of Hessian: -0.6298446306E-01 -0.5688408980E-01  0.2940052839E+00
 Eigenvectors(columns) of Hessian:
  0.6781813136E+00 -0.2222066428E-01 -0.7345586076E+00
 -0.6803182865E-01 -0.9971488810E+00 -0.3264627786E-01
  0.7317388716E+00 -0.7211346093E-01  0.6777594504E+00
 Determinant of Hessian:  0.1053366204E-02
 Ellipticity of electron density:    0.107242
 eta index:    0.214229
 
 ----------------   CP    55,     Type (3,-1)   ----------------
 Connected atoms:    28(O )   --    56(H )
 Position (Bohr):        2.531430381959    1.861580607392    2.552183710372
 Position (Angstrom):    1.339575269120    0.985106033691    1.350557457567
 Density of all electrons:  0.3230990339E-01
 Density of Alpha electrons:  0.1615495170E-01
 Density of Beta electrons:  0.1615495170E-01
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.2597325359E-01
 G(r) in X,Y,Z:  0.2595469191E-02  0.1167435291E-01  0.1170343149E-01
 Hamiltonian kinetic energy K(r): -0.9199583024E-03
 Potential energy density V(r): -0.2505329529E-01
 Energy density E(r) or H(r):  0.9199583024E-03
 Laplacian of electron density:  0.1075728476E+00
 Electron localization function (ELF):  0.1159677157E+00
 Localized orbital locator (LOL):  0.2659622777E+00
 Local information entropy:  0.1059762766E-02
 Reduced density gradient (RDG):  0.5628821612E-15
 Reduced density gradient with promolecular approximation:  0.2842960919E+00
 Sign(lambda2)*rho: -0.3230990339E-01
 Sign(lambda2)*rho with promolecular approximation: -0.3984515298E-01
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.3587147923E-06
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.2114655266E-02
 Wavefunction value for orbital         1 :  0.1298262029E-05
 Average local ionization energy (ALIE):  0.5038876358E+00
 Delta-g (under promolecular approximation):  0.6778331493E-01
 Delta-g (under Hirshfeld partition):  0.6451673633E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.5039567799E+02
 ESP from electrons: -0.4347978212E+02
 Total ESP:  0.6915895873E+01 a.u. ( 0.1881911E+03 eV, 0.4339794E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.1214306433E-16 -0.2862293735E-16  0.1767249541E-16
 Norm of gradient is:  0.3576371972E-16
 
 Components of Laplacian in x/y/z are:
 -0.3510654722E-01  0.6614229954E-01  0.7653709527E-01
 Total:  0.1075728476E+00
 
 Hessian matrix:
 -0.3510654722E-01  0.2534902885E-01 -0.2185041537E-01
  0.2534902885E-01  0.6614229954E-01 -0.1120536947E+00
 -0.2185041537E-01 -0.1120536947E+00  0.7653709527E-01
 Eigenvalues of Hessian: -0.4368610992E-01 -0.3721815509E-01  0.1884771126E+00
 Eigenvectors(columns) of Hessian:
  0.6568578732E+00  0.7394706988E+00 -0.1473798498E+00
 -0.6074118432E+00  0.4031288745E+00 -0.6844983297E+00
 -0.4467533852E+00  0.5391383832E+00  0.7139616352E+00
 Determinant of Hessian:  0.3064480310E-03
 Ellipticity of electron density:    0.173785
 eta index:    0.231785
 
 ----------------   CP    56,     Type (3,-1)   ----------------
 Position (Bohr):        1.747278729452    1.977375393671    0.265731537199
 Position (Angstrom):    0.924620084721    1.046381995731    0.140619073704
 Density of all electrons:  0.6514843051E-01
 Density of Alpha electrons:  0.3257421526E-01
 Density of Beta electrons:  0.3257421526E-01
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.7483700411E-01
 G(r) in X,Y,Z:  0.2365465918E-01  0.3743095656E-01  0.1375138837E-01
 Hamiltonian kinetic energy K(r):  0.1889521211E-02
 Potential energy density V(r): -0.7672652532E-01
 Energy density E(r) or H(r): -0.1889521211E-02
 Laplacian of electron density:  0.2917899316E+00
 Electron localization function (ELF):  0.1406959836E+00
 Localized orbital locator (LOL):  0.2881005629E+00
 Local information entropy:  0.1971327287E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.2752168984E+00
 Sign(lambda2)*rho: -0.6514843051E-01
 Sign(lambda2)*rho with promolecular approximation: -0.5506688781E-01
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.4142904627E-05
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.8755305546E-02
 Wavefunction value for orbital         1 : -0.4444147580E-05
 Average local ionization energy (ALIE):  0.6603648106E+00
 Delta-g (under promolecular approximation):  0.1290144582E+00
 Delta-g (under Hirshfeld partition):  0.1614046026E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.6380641828E+02
 ESP from electrons: -0.5150487579E+02
 Total ESP:  0.1230154249E+02 a.u. ( 0.3347420E+03 eV, 0.7719341E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.6418476861E-16  0.9454242944E-16  0.1561251128E-16
 Norm of gradient is:  0.1153330221E-15
 
 Components of Laplacian in x/y/z are:
  0.8960905891E-01  0.2162933245E+00 -0.1411245184E-01
 Total:  0.2917899316E+00
 
 Hessian matrix:
  0.8960905891E-01  0.2255820562E+00  0.1132411190E+00
  0.2255820562E+00  0.2162933245E+00  0.1437043304E+00
  0.1132411190E+00  0.1437043304E+00 -0.1411245184E-01
 Eigenvalues of Hessian: -0.8685664248E-01 -0.7947455150E-01  0.4581211256E+00
 Eigenvectors(columns) of Hessian:
 -0.5902173178E+00  0.5764909584E+00  0.5650678655E+00
  0.5750497896E-01 -0.6681915035E+00  0.7417636363E+00
  0.8051935762E+00  0.4702959596E+00  0.3612270965E+00
 Determinant of Hessian:  0.3162360976E-02
 Ellipticity of electron density:    0.092886
 eta index:    0.189593
 
 ----------------   CP    57,     Type (3,-1)   ----------------
 Connected atoms:     9(C )   --    10(C )
 Position (Bohr):        7.017248469594   -0.668874879841   -7.162888523945
 Position (Angstrom):    3.713367973353   -0.353953343357   -3.790437371111
 Density of all electrons:  0.3237073395E+00
 Density of Alpha electrons:  0.1618536697E+00
 Density of Beta electrons:  0.1618536697E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.1113015353E+00
 G(r) in X,Y,Z:  0.5462894426E-01  0.1659441066E-01  0.4007818038E-01
 Hamiltonian kinetic energy K(r):  0.3236001916E+00
 Potential energy density V(r): -0.4349017269E+00
 Energy density E(r) or H(r): -0.3236001916E+00
 Laplacian of electron density: -0.8491946253E+00
 Electron localization function (ELF):  0.9393808664E+00
 Localized orbital locator (LOL):  0.7974439731E+00
 Local information entropy:  0.7914780865E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.3237073395E+00
 Sign(lambda2)*rho with promolecular approximation: -0.2299323829E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.8460942936E-07
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.6724267490E-02
 Wavefunction value for orbital         1 :  0.3898196157E-06
 Average local ionization energy (ALIE):  0.5693261478E+00
 Delta-g (under promolecular approximation):  0.4085573183E+00
 Delta-g (under Hirshfeld partition):  0.5754634038E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4061154314E+02
 ESP from electrons: -0.3661654019E+02
 Total ESP:  0.3995002953E+01 a.u. ( 0.1087096E+03 eV, 0.2506904E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.1682681772E-15  0.6591949209E-16  0.2081668171E-15
 Norm of gradient is:  0.2756682474E-15
 
 Components of Laplacian in x/y/z are:
 -0.5576328128E+00  0.4258470168E-01 -0.3341465142E+00
 Total: -0.8491946253E+00
 
 Hessian matrix:
 -0.5576328128E+00  0.1722742333E+00 -0.4590480265E-01
  0.1722742333E+00  0.4258470168E-01 -0.4264167648E+00
 -0.4590480265E-01 -0.4264167648E+00 -0.3341465142E+00
 Eigenvalues of Hessian: -0.6564368281E+00 -0.5448030558E+00  0.3520452586E+00
 Eigenvectors(columns) of Hessian:
  0.6212923880E+00 -0.7617439760E+00 -0.1836896393E+00
 -0.5139392206E+00 -0.2191854749E+00 -0.8293516776E+00
 -0.5914915436E+00 -0.6096751943E+00  0.5276683724E+00
 Determinant of Hessian:  0.1259015198E+00
 Ellipticity of electron density:    0.204907
 eta index:    1.864638
 
 ----------------   CP    58,     Type (3,-1)   ----------------
 Position (Bohr):       -0.694669072746    1.934205121258   -2.126766820204
 Position (Angstrom):   -0.367603042416    1.023537271382   -1.125436534157
 Density of all electrons:  0.6085375623E-01
 Density of Alpha electrons:  0.3042687812E-01
 Density of Beta electrons:  0.3042687812E-01
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.4944000764E-01
 G(r) in X,Y,Z:  0.1123974550E-01  0.1989664017E-01  0.1830362198E-01
 Hamiltonian kinetic energy K(r):  0.6353837799E-02
 Potential energy density V(r): -0.5579384544E-01
 Energy density E(r) or H(r): -0.6353837799E-02
 Laplacian of electron density:  0.1723446794E+00
 Electron localization function (ELF):  0.2300782941E+00
 Localized orbital locator (LOL):  0.3534902583E+00
 Local information entropy:  0.1856410552E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1139620665E+00
 Sign(lambda2)*rho: -0.6085375623E-01
 Sign(lambda2)*rho with promolecular approximation: -0.5047268624E-01
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.2395937355E-03
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.4637267355E-02
 Wavefunction value for orbital         1 :  0.6193224214E-05
 Average local ionization energy (ALIE):  0.5571711672E+00
 Delta-g (under promolecular approximation):  0.1036100393E+00
 Delta-g (under Hirshfeld partition):  0.1424140005E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.6143169123E+02
 ESP from electrons: -0.4966605988E+02
 Total ESP:  0.1176563135E+02 a.u. ( 0.3201591E+03 eV, 0.7383051E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.1734723476E-16 -0.5204170428E-17 -0.5204170428E-17
 Norm of gradient is:  0.1884392033E-16
 
 Components of Laplacian in x/y/z are:
 -0.8120919185E-02  0.1045154213E+00  0.7595017720E-01
 Total:  0.1723446794E+00
 
 Hessian matrix:
 -0.8120919185E-02 -0.1155564844E+00  0.1063237657E+00
 -0.1155564844E+00  0.1045154213E+00 -0.1745439005E+00
  0.1063237657E+00 -0.1745439005E+00  0.7595017720E-01
 Eigenvalues of Hessian: -0.8489674522E-01 -0.7959918866E-01  0.3368406132E+00
 Eigenvectors(columns) of Hessian:
  0.1881454251E-01  0.9099451680E+00 -0.4143015862E+00
  0.6837181791E+00  0.2906319744E+00  0.6693747135E+00
  0.7295035741E+00 -0.2958595051E+00 -0.6166779456E+00
 Determinant of Hessian:  0.2276271867E-02
 Ellipticity of electron density:    0.066553
 eta index:    0.252038
 
 ----------------   CP    59,     Type (3,+1)   ----------------
 Position (Bohr):        5.588016318733    0.440374190868   -5.791978074802
 Position (Angstrom):    2.957050890028    0.233035986077   -3.064982803235
 Density of all electrons:  0.2246434422E-01
 Density of Alpha electrons:  0.1123217211E-01
 Density of Beta electrons:  0.1123217211E-01
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.3564282906E-01
 G(r) in X,Y,Z:  0.8375259081E-02  0.1684991102E-01  0.1041765895E-01
 Hamiltonian kinetic energy K(r): -0.9886868345E-02
 Potential energy density V(r): -0.2575596071E-01
 Energy density E(r) or H(r):  0.9886868345E-02
 Laplacian of electron density:  0.1821187896E+00
 Electron localization function (ELF):  0.2032407407E-01
 Localized orbital locator (LOL):  0.1259307621E+00
 Local information entropy:  0.7664107245E-03
 Reduced density gradient (RDG):  0.9075781678E-15
 Reduced density gradient with promolecular approximation:  0.7986262952E-02
 Sign(lambda2)*rho:  0.2246434422E-01
 Sign(lambda2)*rho with promolecular approximation:  0.5782473366E-01
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.2410759417E-07
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.1798038279E-02
 Wavefunction value for orbital         1 :  0.4346192738E-06
 Average local ionization energy (ALIE):  0.6829985163E+00
 Delta-g (under promolecular approximation):  0.9482810542E-01
 Delta-g (under Hirshfeld partition):  0.4654215046E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4336011958E+02
 ESP from electrons: -0.3931935376E+02
 Total ESP:  0.4040765818E+01 a.u. ( 0.1099548E+03 eV, 0.2535621E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.1127570259E-16  0.3295974604E-16  0.9540979118E-17
 Norm of gradient is:  0.3611809257E-16
 
 Components of Laplacian in x/y/z are:
  0.3069968937E-01  0.1021632259E+00  0.4925587430E-01
 Total:  0.1821187896E+00
 
 Hessian matrix:
  0.3069968937E-01 -0.2541087568E-01 -0.5273139621E-01
 -0.2541087568E-01  0.1021632259E+00 -0.1271612224E-01
 -0.5273139621E-01 -0.1271612224E-01  0.4925587430E-01
 Eigenvalues of Hessian: -0.1984434208E-01  0.9114259615E-01  0.1108205355E+00
 Eigenvectors(columns) of Hessian:
 -0.7551138390E+00 -0.5342309279E+00  0.3800005339E+00
 -0.2215774980E+00 -0.3375504152E+00 -0.9148568902E+00
 -0.6170141834E+00  0.7750206661E+00 -0.1365154375E+00
 Determinant of Hessian: -0.2004372079E-03
 Ellipticity of electron density:   -1.217729
 eta index:    0.179067
 
 ----------------   CP    60,     Type (3,-1)   ----------------
 Connected atoms:    25(C )   --    26(O )
 Position (Bohr):       -1.966949449257    4.202943429513    2.590109445318
 Position (Angstrom):   -1.040864823545    2.224101881613    1.370626892207
 Density of all electrons:  0.3360701384E+00
 Density of Alpha electrons:  0.1680350692E+00
 Density of Beta electrons:  0.1680350692E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.4986987039E+00
 G(r) in X,Y,Z:  0.1316977382E+00  0.2295842229E+00  0.1374167429E+00
 Hamiltonian kinetic energy K(r):  0.5612385977E+00
 Potential energy density V(r): -0.1059937302E+01
 Energy density E(r) or H(r): -0.5612385977E+00
 Laplacian of electron density: -0.2501595751E+00
 Electron localization function (ELF):  0.4665911973E+00
 Localized orbital locator (LOL):  0.4832819197E+00
 Local information entropy:  0.8171419097E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.3360701384E+00
 Sign(lambda2)*rho with promolecular approximation: -0.3294297486E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.7111711608E-09
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.3745909737E-02
 Wavefunction value for orbital         1 : -0.7774006216E-05
 Average local ionization energy (ALIE):  0.1072133779E+01
 Delta-g (under promolecular approximation):  0.3476852999E+00
 Delta-g (under Hirshfeld partition):  0.4528981680E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.5242099661E+02
 ESP from electrons: -0.4534444137E+02
 Total ESP:  0.7076555235E+01 a.u. ( 0.1925629E+03 eV, 0.4440609E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.7632783294E-16  0.1576516695E-13  0.4257011410E-14
 Norm of gradient is:  0.1632998656E-13
 
 Components of Laplacian in x/y/z are:
 -0.7681748918E+00  0.1139178479E+01 -0.6211631619E+00
 Total: -0.2501595751E+00
 
 Hessian matrix:
 -0.7681748918E+00 -0.9915720509E-02  0.1819008943E-02
 -0.9915720509E-02  0.1139178479E+01  0.5191597754E+00
  0.1819008943E-02  0.5191597754E+00 -0.6211631619E+00
 Eigenvalues of Hessian: -0.7706606759E+00 -0.7604213788E+00  0.1280922480E+01
 Eigenvectors(columns) of Hessian:
  0.8724399520E+00  0.4887012023E+00 -0.4434523363E-02
  0.1324118861E+00 -0.2276307533E+00  0.9647027172E+00
 -0.4704419438E+00  0.8422323759E+00  0.2633040115E+00
 Determinant of Hessian:  0.7506549707E+00
 Ellipticity of electron density:    0.013465
 eta index:    0.601645
 
 ----------------   CP    61,     Type (3,-1)   ----------------
 Connected atoms:    27(C )   --    34(H )
 Position (Bohr):       -5.044002861553    5.120350856150    4.482569865967
 Position (Angstrom):   -2.669171366063    2.709572984902    2.372073819350
 Density of all electrons:  0.2789194095E+00
 Density of Alpha electrons:  0.1394597047E+00
 Density of Beta electrons:  0.1394597047E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.4071262491E-01
 G(r) in X,Y,Z:  0.1403881690E-01  0.8899268979E-02  0.1777453904E-01
 Hamiltonian kinetic energy K(r):  0.3016496820E+00
 Potential energy density V(r): -0.3423623069E+00
 Energy density E(r) or H(r): -0.3016496820E+00
 Laplacian of electron density: -0.1043748228E+01
 Electron localization function (ELF):  0.9860099312E+00
 Localized orbital locator (LOL):  0.8935859543E+00
 Local information entropy:  0.6970189231E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.2789194095E+00
 Sign(lambda2)*rho with promolecular approximation: -0.1812221408E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.7896807252E-07
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.9805385533E-02
 Wavefunction value for orbital         1 : -0.1153169394E-04
 Average local ionization energy (ALIE):  0.4455613787E+00
 Delta-g (under promolecular approximation):  0.2957060266E+00
 Delta-g (under Hirshfeld partition):  0.5124679160E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.3755059965E+02
 ESP from electrons: -0.3355333498E+02
 Total ESP:  0.3997264674E+01 a.u. ( 0.1087711E+03 eV, 0.2508324E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.1561251128E-16  0.1439820485E-15  0.4423544864E-16
 Norm of gradient is:  0.1514310263E-15
 
 Components of Laplacian in x/y/z are:
 -0.3373460210E+00 -0.1275485301E+00 -0.5788536773E+00
 Total: -0.1043748228E+01
 
 Hessian matrix:
 -0.3373460210E+00  0.4491909104E+00 -0.2010024292E+00
  0.4491909104E+00 -0.1275485301E+00 -0.2563718336E+00
 -0.2010024292E+00 -0.2563718336E+00 -0.5788536773E+00
 Eigenvalues of Hessian: -0.6955692632E+00 -0.6920246063E+00  0.3438456410E+00
 Eigenvectors(columns) of Hessian:
  0.3934515591E+00 -0.7087096829E+00 -0.5855992282E+00
 -0.6182437009E+00  0.2674648735E+00 -0.7390786614E+00
 -0.6804194272E+00 -0.6528346857E+00  0.3329208258E+00
 Determinant of Hessian:  0.1655104588E+00
 Ellipticity of electron density:    0.005122
 eta index:    2.022911
 
 ----------------   CP    62,     Type (3,+1)   ----------------
 Position (Bohr):        0.397273331562    3.838711809643    1.671167897565
 Position (Angstrom):    0.210227993562    2.031358808887    0.884343966984
 Density of all electrons:  0.1507516306E-01
 Density of Alpha electrons:  0.7537581532E-02
 Density of Beta electrons:  0.7537581532E-02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.1697934634E-01
 G(r) in X,Y,Z:  0.8666883413E-02  0.6203725651E-02  0.2108737277E-02
 Hamiltonian kinetic energy K(r): -0.2596565204E-02
 Potential energy density V(r): -0.1438278114E-01
 Energy density E(r) or H(r):  0.2596565204E-02
 Laplacian of electron density:  0.7830364619E-01
 Electron localization function (ELF):  0.2360210470E-01
 Localized orbital locator (LOL):  0.1346240021E+00
 Local information entropy:  0.5361027078E-03
 Reduced density gradient (RDG):  0.7087584729E-15
 Reduced density gradient with promolecular approximation:  0.3197668979E+00
 Sign(lambda2)*rho:  0.1507516306E-01
 Sign(lambda2)*rho with promolecular approximation:  0.2779641406E-01
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.8105516473E-06
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.1481675768E-02
 Wavefunction value for orbital         1 :  0.2998748037E-06
 Average local ionization energy (ALIE):  0.5254441913E+00
 Delta-g (under promolecular approximation):  0.3820379637E-01
 Delta-g (under Hirshfeld partition):  0.3003603929E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.5223479073E+02
 ESP from electrons: -0.4553209073E+02
 Total ESP:  0.6702700001E+01 a.u. ( 0.1823897E+03 eV, 0.4206011E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.1734723476E-17 -0.1214306433E-16 -0.2358139725E-17
 Norm of gradient is:  0.1249096073E-16
 
 Components of Laplacian in x/y/z are:
  0.5412720131E-01  0.2850454271E-01 -0.4328097837E-02
 Total:  0.7830364619E-01
 
 Hessian matrix:
  0.5412720131E-01  0.5839063249E-02 -0.1816540757E-01
  0.5839063249E-02  0.2850454271E-01  0.5490497916E-02
 -0.1816540757E-01  0.5490497916E-02 -0.4328097837E-02
 Eigenvalues of Hessian: -0.1072798039E-01  0.2916923390E-01  0.5986239267E-01
 Eigenvectors(columns) of Hessian:
  0.2800858426E+00 -0.8021879883E-01 -0.9566174079E+00
 -0.1738115702E+00  0.9757949442E+00 -0.1327168598E+00
  0.9441088173E+00  0.2034432872E+00  0.2593633937E+00
 Determinant of Hessian: -0.1873255712E-04
 Ellipticity of electron density:   -1.367784
 eta index:    0.179211
 
 ----------------   CP    63,     Type (3,-1)   ----------------
 Connected atoms:    12(C )   --    13(N )
 Position (Bohr):        4.245679251533    1.849587782189   -4.667507128828
 Position (Angstrom):    2.246716704715    0.978759703899   -2.469938404303
 Density of all electrons:  0.3422932705E+00
 Density of Alpha electrons:  0.1711466353E+00
 Density of Beta electrons:  0.1711466353E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.3477901194E+00
 G(r) in X,Y,Z:  0.1123593798E+00  0.1193296619E+00  0.1161010778E+00
 Hamiltonian kinetic energy K(r):  0.5755151316E+00
 Potential energy density V(r): -0.9233052511E+00
 Energy density E(r) or H(r): -0.5755151316E+00
 Laplacian of electron density: -0.9109000487E+00
 Electron localization function (ELF):  0.6565852923E+00
 Localized orbital locator (LOL):  0.5803196364E+00
 Local information entropy:  0.8299977152E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.3422932705E+00
 Sign(lambda2)*rho with promolecular approximation: -0.3117176517E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.2134663705E-04
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.1102443239E-01
 Wavefunction value for orbital         1 : -0.5262594748E-06
 Average local ionization energy (ALIE):  0.8384269467E+00
 Delta-g (under promolecular approximation):  0.3194667436E+00
 Delta-g (under Hirshfeld partition):  0.4511090982E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.5073751077E+02
 ESP from electrons: -0.4410204494E+02
 Total ESP:  0.6635465831E+01 a.u. ( 0.1805602E+03 eV, 0.4163821E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.4597017211E-16 -0.1734723476E-15  0.1630640067E-15
 Norm of gradient is:  0.2424784164E-15
 
 Components of Laplacian in x/y/z are:
 -0.6587061035E+00  0.1195879996E+00 -0.3717819448E+00
 Total: -0.9109000487E+00
 
 Hessian matrix:
 -0.6587061035E+00  0.2121186382E+00 -0.9675269719E-01
  0.2121186382E+00  0.1195879996E+00 -0.5323486436E+00
 -0.9675269719E-01 -0.5323486436E+00 -0.3717819448E+00
 Eigenvalues of Hessian: -0.7408908997E+00 -0.6759981926E+00  0.5059890436E+00
 Eigenvectors(columns) of Hessian:
 -0.6502801166E+00 -0.7343638564E+00 -0.1945391898E+00
  0.5091326931E+00 -0.2312153779E+00 -0.8290496667E+00
  0.5638436581E+00 -0.6381607755E+00  0.5242434108E+00
 Determinant of Hessian:  0.2534200126E+00
 Ellipticity of electron density:    0.095995
 eta index:    1.464243
 
 ----------------   CP    64,     Type (3,-1)   ----------------
 Connected atoms:    19(H )   --    10(C )
 Position (Bohr):        8.067684297440    0.382816415334   -8.846295277268
 Position (Angstrom):    4.269234674965    0.202577722954   -4.681257861649
 Density of all electrons:  0.2843572431E+00
 Density of Alpha electrons:  0.1421786216E+00
 Density of Beta electrons:  0.1421786216E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.3858846373E-01
 G(r) in X,Y,Z:  0.1158901510E-01  0.1863657429E-01  0.8362874329E-02
 Hamiltonian kinetic energy K(r):  0.3092862196E+00
 Potential energy density V(r): -0.3478746833E+00
 Energy density E(r) or H(r): -0.3092862196E+00
 Laplacian of electron density: -0.1082791023E+01
 Electron localization function (ELF):  0.9881887700E+00
 Localized orbital locator (LOL):  0.9014704354E+00
 Local information entropy:  0.7086187443E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.2843572431E+00
 Sign(lambda2)*rho with promolecular approximation: -0.1833084472E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1643950241E-06
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.7193204770E-02
 Wavefunction value for orbital         1 :  0.8716303707E-06
 Average local ionization energy (ALIE):  0.4903666975E+00
 Delta-g (under promolecular approximation):  0.2913541975E+00
 Delta-g (under Hirshfeld partition):  0.5161290702E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.3368859985E+02
 ESP from electrons: -0.3028539204E+02
 Total ESP:  0.3403207809E+01 a.u. ( 0.9260599E+02 eV, 0.2135547E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.5620504062E-15  0.1474514955E-16  0.4544975507E-15
 Norm of gradient is:  0.7229703328E-15
 
 Components of Laplacian in x/y/z are:
 -0.2948210624E+00 -0.7199548375E+00 -0.6801512341E-01
 Total: -0.1082791023E+01
 
 Hessian matrix:
 -0.2948210624E+00 -0.8727720927E-02 -0.5252199209E+00
 -0.8727720927E-02 -0.7199548375E+00  0.1125662945E-01
 -0.5252199209E+00  0.1125662945E-01 -0.6801512341E-01
 Eigenvalues of Hessian: -0.7201965786E+00 -0.7186880051E+00  0.3560935603E+00
 Eigenvectors(columns) of Hessian:
  0.1380586159E+00 -0.7658577545E+00 -0.6280141069E+00
 -0.9821006213E+00 -0.1878915813E+00  0.1323341614E-01
  0.1281334780E+00 -0.6149460575E+00  0.7780894282E+00
 Determinant of Hessian:  0.1843128312E+00
 Ellipticity of electron density:    0.002099
 eta index:    2.022493
 
 ----------------   CP    65,     Type (3,+1)   ----------------
 Position (Bohr):        1.492683775770    2.812895216688   -3.939396660069
 Position (Angstrom):    0.789894237222    1.488520045329   -2.084638937216
 Density of all electrons:  0.6582559622E-02
 Density of Alpha electrons:  0.3291279811E-02
 Density of Beta electrons:  0.3291279811E-02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.5058209989E-02
 G(r) in X,Y,Z:  0.3251777272E-02  0.1194554610E-02  0.6118781063E-03
 Hamiltonian kinetic energy K(r): -0.1248492201E-02
 Potential energy density V(r): -0.3809717787E-02
 Energy density E(r) or H(r):  0.1248492201E-02
 Laplacian of electron density:  0.2522680876E-01
 Electron localization function (ELF):  0.1686643016E-01
 Localized orbital locator (LOL):  0.1160135407E+00
 Local information entropy:  0.2538514624E-03
 Reduced density gradient (RDG):  0.7724272070E-15
 Reduced density gradient with promolecular approximation:  0.3739057475E+00
 Sign(lambda2)*rho:  0.6582559622E-02
 Sign(lambda2)*rho with promolecular approximation:  0.1261791224E-01
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.3518252682E-05
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.3963052188E-03
 Wavefunction value for orbital         1 : -0.1975222940E-05
 Average local ionization energy (ALIE):  0.4292118206E+00
 Delta-g (under promolecular approximation):  0.1351509459E-01
 Delta-g (under Hirshfeld partition):  0.1135640192E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4871229327E+02
 ESP from electrons: -0.4210478642E+02
 Total ESP:  0.6607506859E+01 a.u. ( 0.1797994E+03 eV, 0.4146277E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.4987329993E-17  0.2168404345E-17  0.1572093150E-17
 Norm of gradient is:  0.5660999447E-17
 
 Components of Laplacian in x/y/z are:
  0.2331193062E-01  0.3092954184E-02 -0.1178076042E-02
 Total:  0.2522680876E-01
 
 Hessian matrix:
  0.2331193062E-01 -0.1079284585E-02 -0.7504395523E-02
 -0.1079284585E-02  0.3092954184E-02 -0.1850006937E-02
 -0.7504395523E-02 -0.1850006937E-02 -0.1178076042E-02
 Eigenvalues of Hessian: -0.3909545229E-02  0.3694840381E-02  0.2544151361E-01
 Eigenvectors(columns) of Hessian:
  0.2652584881E+00 -0.5441083165E-01 -0.9626408447E+00
  0.2842878563E+00  0.9584344271E+00  0.2416327211E-01
  0.9213133828E+00 -0.2800766151E+00  0.2697012057E+00
 Determinant of Hessian: -0.3675063679E-06
 Ellipticity of electron density:   -2.058109
 eta index:    0.153668
 
 ----------------   CP    66,     Type (3,+1)   ----------------
 Position (Bohr):       -1.599852378228    4.290996309829   -0.075794733967
 Position (Angstrom):   -0.846605419367    2.270697459230   -0.040108845922
 Density of all electrons:  0.1151529168E-01
 Density of Alpha electrons:  0.5757645841E-02
 Density of Beta electrons:  0.5757645841E-02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.1074491516E-01
 G(r) in X,Y,Z:  0.9690314327E-03  0.3222567875E-02  0.6553315856E-02
 Hamiltonian kinetic energy K(r): -0.1828874195E-02
 Potential energy density V(r): -0.8916040969E-02
 Energy density E(r) or H(r):  0.1828874195E-02
 Laplacian of electron density:  0.5029515744E-01
 Electron localization function (ELF):  0.2398624580E-01
 Localized orbital locator (LOL):  0.1356302949E+00
 Local information entropy:  0.4207454054E-03
 Reduced density gradient (RDG):  0.1069325294E-14
 Reduced density gradient with promolecular approximation:  0.2144199317E+00
 Sign(lambda2)*rho:  0.1151529168E-01
 Sign(lambda2)*rho with promolecular approximation:  0.2057996156E-01
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.8947333188E-06
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.8738463505E-03
 Wavefunction value for orbital         1 :  0.5944986872E-06
 Average local ionization energy (ALIE):  0.5187863961E+00
 Delta-g (under promolecular approximation):  0.3191939802E-01
 Delta-g (under Hirshfeld partition):  0.2404958374E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.5017586899E+02
 ESP from electrons: -0.4384935380E+02
 Total ESP:  0.6326515187E+01 a.u. ( 0.1721532E+03 eV, 0.3969952E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.2276824562E-17 -0.1062518129E-16  0.1344410694E-16
 Norm of gradient is:  0.1728648081E-16
 
 Components of Laplacian in x/y/z are:
 -0.7271923712E-02  0.1174058145E-01  0.4582649970E-01
 Total:  0.5029515744E-01
 
 Hessian matrix:
 -0.7271923712E-02  0.2709346003E-02 -0.6349888856E-02
  0.2709346003E-02  0.1174058145E-01 -0.1657481891E-01
 -0.6349888856E-02 -0.1657481891E-01  0.4582649970E-01
 Eigenvalues of Hessian: -0.8059089346E-02  0.5010982262E-02  0.5334326452E-01
 Eigenvectors(columns) of Hessian:
  0.9935364742E+00  0.9120611168E-02 -0.1131463163E+00
 -0.5110259411E-01  0.9259839157E+00 -0.3740886429E+00
  0.1013597520E+00  0.3774527815E+00  0.9204648817E+00
 Determinant of Hessian: -0.2154211928E-05
 Ellipticity of electron density:   -2.608285
 eta index:    0.151080
 
 ----------------   CP    67,     Type (3,+3)   ----------------
 Position (Bohr):       -0.036341964144    4.144450885979   -0.087619097997
 Position (Angstrom):   -0.019231339225    2.193148960567   -0.046366029900
 Density of all electrons:  0.7499846549E-02
 Density of Alpha electrons:  0.3749923275E-02
 Density of Beta electrons:  0.3749923275E-02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.7288257526E-02
 G(r) in X,Y,Z:  0.2358800403E-02  0.2479265085E-02  0.2450192038E-02
 Hamiltonian kinetic energy K(r): -0.1122090632E-02
 Potential energy density V(r): -0.6166166894E-02
 Energy density E(r) or H(r):  0.1122090632E-02
 Laplacian of electron density:  0.3364139263E-01
 Electron localization function (ELF):  0.1261899693E-01
 Localized orbital locator (LOL):  0.1016928385E+00
 Local information entropy:  0.2856809370E-03
 Reduced density gradient (RDG):  0.3140520188E-15
 Reduced density gradient with promolecular approximation:  0.2571265989E+00
 Sign(lambda2)*rho:  0.7499846549E-02
 Sign(lambda2)*rho with promolecular approximation:  0.1628631652E-01
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.4476070150E-05
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.6457782030E-03
 Wavefunction value for orbital         1 : -0.9524863030E-05
 Average local ionization energy (ALIE):  0.5185323543E+00
 Delta-g (under promolecular approximation):  0.2111235746E-01
 Delta-g (under Hirshfeld partition):  0.1395940895E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.5302669743E+02
 ESP from electrons: -0.4575110309E+02
 Total ESP:  0.7275594346E+01 a.u. ( 0.1979790E+03 eV, 0.4565508E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.4336808690E-18  0.2602085214E-17 -0.1734723476E-17
 Norm of gradient is:  0.3157244383E-17
 
 Components of Laplacian in x/y/z are:
  0.1110263384E-01  0.1058624321E-01  0.1195251558E-01
 Total:  0.3364139263E-01
 
 Hessian matrix:
  0.1110263384E-01 -0.1148451719E-02  0.4716180242E-02
 -0.1148451719E-02  0.1058624321E-01 -0.2607997976E-02
  0.4716180242E-02 -0.2607997976E-02  0.1195251558E-01
 Eigenvalues of Hessian:  0.6540129647E-02  0.9748459055E-02  0.1735280393E-01
 Eigenvectors(columns) of Hessian:
 -0.6596994449E+00  0.4506684339E+00  0.6014105130E+00
  0.2658432461E+00  0.8884471227E+00 -0.3741511441E+00
  0.7029395500E+00  0.8694637908E-01  0.7059152330E+00
 Determinant of Hessian:  0.1106348596E-05
 Ellipticity of electron density:   -0.329111
 eta index:    0.376892
 
 ----------------   CP    68,     Type (3,-1)   ----------------
 Connected atoms:    25(C )   --    27(C )
 Position (Bohr):       -3.174047236051    5.569160628221    3.456074757944
 Position (Angstrom):   -1.679633463648    2.947072888313    1.828876001081
 Density of all electrons:  0.2535772181E+00
 Density of Alpha electrons:  0.1267886091E+00
 Density of Beta electrons:  0.1267886091E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.6078919753E-01
 G(r) in X,Y,Z:  0.1349714988E-01  0.2331038234E-01  0.2398166531E-01
 Hamiltonian kinetic energy K(r):  0.2079119523E+00
 Potential energy density V(r): -0.2687011499E+00
 Energy density E(r) or H(r): -0.2079119523E+00
 Laplacian of electron density: -0.5884910192E+00
 Electron localization function (ELF):  0.9583622329E+00
 Localized orbital locator (LOL):  0.8275373556E+00
 Local information entropy:  0.6424404326E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.2535772181E+00
 Sign(lambda2)*rho with promolecular approximation: -0.1806627019E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.4091339262E-05
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.6430583976E-02
 Wavefunction value for orbital         1 : -0.5029369952E-05
 Average local ionization energy (ALIE):  0.5022176852E+00
 Delta-g (under promolecular approximation):  0.3102121754E+00
 Delta-g (under Hirshfeld partition):  0.4721584664E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4303906592E+02
 ESP from electrons: -0.3862810885E+02
 Total ESP:  0.4410957078E+01 a.u. ( 0.1200282E+03 eV, 0.2767920E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.6938893904E-17  0.1040834086E-15 -0.2558717127E-16
 Norm of gradient is:  0.1074067387E-15
 
 Components of Laplacian in x/y/z are:
  0.6254720124E-01 -0.3487478490E+00 -0.3022903715E+00
 Total: -0.5884910192E+00
 
 Hessian matrix:
  0.6254720124E-01 -0.2589798487E+00 -0.2795268094E+00
 -0.2589798487E+00 -0.3487478490E+00  0.1333166713E+00
 -0.2795268094E+00  0.1333166713E+00 -0.3022903715E+00
 Eigenvalues of Hessian: -0.4738823205E+00 -0.4521099476E+00  0.3375012489E+00
 Eigenvectors(columns) of Hessian:
 -0.4575731212E+00  0.3647850800E+00 -0.8108999224E+00
 -0.8874111789E+00 -0.2447136169E+00  0.3906618041E+00
 -0.5593065549E-01  0.8983579972E+00  0.4356887314E+00
 Determinant of Hessian:  0.7230860007E-01
 Ellipticity of electron density:    0.048157
 eta index:    1.404091
 
 ----------------   CP    69,     Type (3,-1)   ----------------
 Connected atoms:    10(C )   --    11(C )
 Position (Bohr):        6.652450479287    1.543450584592   -7.492109464164
 Position (Angstrom):    3.520325190300    0.816758875521   -3.964653590026
 Density of all electrons:  0.2976078332E+00
 Density of Alpha electrons:  0.1488039166E+00
 Density of Beta electrons:  0.1488039166E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.9332964161E-01
 G(r) in X,Y,Z:  0.3978740918E-01  0.1287976599E-01  0.4066246644E-01
 Hamiltonian kinetic energy K(r):  0.2740494052E+00
 Potential energy density V(r): -0.3673790468E+00
 Energy density E(r) or H(r): -0.2740494052E+00
 Laplacian of electron density: -0.7228790543E+00
 Electron localization function (ELF):  0.9433516208E+00
 Localized orbital locator (LOL):  0.8031967173E+00
 Local information entropy:  0.7367281395E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.2976078332E+00
 Sign(lambda2)*rho with promolecular approximation: -0.2131412869E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.6775764418E-07
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.5674461117E-02
 Wavefunction value for orbital         1 :  0.3177704396E-06
 Average local ionization energy (ALIE):  0.5500241607E+00
 Delta-g (under promolecular approximation):  0.3828209084E+00
 Delta-g (under Hirshfeld partition):  0.5404673912E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.3974026536E+02
 ESP from electrons: -0.3584883025E+02
 Total ESP:  0.3891435113E+01 a.u. ( 0.1058913E+03 eV, 0.2441914E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.1734723476E-16  0.6765421556E-16 -0.1318389842E-15
 Norm of gradient is:  0.1491963042E-15
 
 Components of Laplacian in x/y/z are:
 -0.3414287893E+00  0.1043659018E+00 -0.4858161668E+00
 Total: -0.7228790543E+00
 
 Hessian matrix:
 -0.3414287893E+00 -0.3496457564E+00 -0.7219688057E-01
 -0.3496457564E+00  0.1043659018E+00  0.2242436252E+00
 -0.7219688057E-01  0.2242436252E+00 -0.4858161668E+00
 Eigenvalues of Hessian: -0.5848967069E+00 -0.4975696273E+00  0.3595872799E+00
 Eigenvectors(columns) of Hessian:
 -0.4672535710E+00 -0.7597826989E+00 -0.4521109940E+00
 -0.4788287671E+00 -0.2124092363E+00  0.8518247051E+00
  0.7432342243E+00 -0.6145018851E+00  0.2645568388E+00
 Determinant of Hessian:  0.1046495485E+00
 Ellipticity of electron density:    0.175507
 eta index:    1.626578
 
 ----------------   CP    70,     Type (3,+1)   ----------------
 Position (Bohr):        0.610099026711    4.216783934294   -0.781418247806
 Position (Angstrom):    0.322850501330    2.231425961330   -0.413508728923
 Density of all electrons:  0.8390695226E-02
 Density of Alpha electrons:  0.4195347613E-02
 Density of Beta electrons:  0.4195347613E-02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.7156470583E-02
 G(r) in X,Y,Z:  0.2807009164E-02  0.2046285228E-02  0.2303176191E-02
 Hamiltonian kinetic energy K(r): -0.9528546013E-03
 Potential energy density V(r): -0.6203615982E-02
 Energy density E(r) or H(r):  0.9528546013E-03
 Laplacian of electron density:  0.3243730074E-01
 Electron localization function (ELF):  0.1890446191E-01
 Localized orbital locator (LOL):  0.1220413502E+00
 Local information entropy:  0.3162025216E-03
 Reduced density gradient (RDG):  0.5362163087E-15
 Reduced density gradient with promolecular approximation:  0.2454290772E+00
 Sign(lambda2)*rho:  0.8390695226E-02
 Sign(lambda2)*rho with promolecular approximation:  0.1552051378E-01
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.3828954316E-05
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.5958966586E-03
 Wavefunction value for orbital         1 : -0.7324990699E-05
 Average local ionization energy (ALIE):  0.5061441663E+00
 Delta-g (under promolecular approximation):  0.2123508589E-01
 Delta-g (under Hirshfeld partition):  0.1595423795E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.5254240343E+02
 ESP from electrons: -0.4529079336E+02
 Total ESP:  0.7251610065E+01 a.u. ( 0.1973263E+03 eV, 0.4550458E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.5204170428E-17  0.2168404345E-18  0.5421010862E-19
 Norm of gradient is:  0.5208968070E-17
 
 Components of Laplacian in x/y/z are:
  0.1524791188E-01  0.7066915053E-02  0.1012247381E-01
 Total:  0.3243730074E-01
 
 Hessian matrix:
  0.1524791188E-01 -0.6245932406E-02  0.1697385280E-01
 -0.6245932406E-02  0.7066915053E-02 -0.3677710991E-02
  0.1697385280E-01 -0.3677710991E-02  0.1012247381E-01
 Eigenvalues of Hessian: -0.4642536810E-02  0.5175935953E-02  0.3190390159E-01
 Eigenvectors(columns) of Hessian:
 -0.6664252754E+00  0.1260824544E+00  0.7348337002E+00
 -0.1246012400E+00  0.9529019844E+00 -0.2765001612E+00
  0.7350863101E+00  0.2758278863E+00  0.6193279372E+00
 Determinant of Hessian: -0.7666339481E-06
 Ellipticity of electron density:   -1.896946
 eta index:    0.145516
 
 ----------------   CP    71,     Type (3,-1)   ----------------
 Connected atoms:    51(N )   --    52(N )
 Position (Bohr):       -1.486324210716    4.203995581690   -3.000957419380
 Position (Angstrom):   -0.786528900324    2.224658656567   -1.588038277226
 Density of all electrons:  0.5307254512E+00
 Density of Alpha electrons:  0.2653627256E+00
 Density of Beta electrons:  0.2653627256E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.4869502475E+00
 G(r) in X,Y,Z:  0.2406995393E+00  0.5642384111E-01  0.1898268671E+00
 Hamiltonian kinetic energy K(r):  0.8092705788E+00
 Potential energy density V(r): -0.1296220826E+01
 Energy density E(r) or H(r): -0.8092705788E+00
 Laplacian of electron density: -0.1289281325E+01
 Electron localization function (ELF):  0.8079784739E+00
 Localized orbital locator (LOL):  0.6722732072E+00
 Local information entropy:  0.1202576049E-01
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.5307254512E+00
 Sign(lambda2)*rho with promolecular approximation: -0.4201671339E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1079022022E-04
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.1908866044E-01
 Wavefunction value for orbital         1 : -0.7299403275E-07
 Average local ionization energy (ALIE):  0.8889115661E+00
 Delta-g (under promolecular approximation):  0.7885088486E+00
 Delta-g (under Hirshfeld partition):  0.1058668822E+01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.5292075100E+02
 ESP from electrons: -0.4544410097E+02
 Total ESP:  0.7476650031E+01 a.u. ( 0.2034500E+03 eV, 0.4691673E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.1994931997E-16  0.1283695372E-14  0.1422473250E-15
 Norm of gradient is:  0.1291706656E-14
 
 Components of Laplacian in x/y/z are:
 -0.9933914928E+00  0.4472556795E+00 -0.7431455119E+00
 Total: -0.1289281325E+01
 
 Hessian matrix:
 -0.9933914928E+00  0.1686481544E+00  0.6368590667E-01
  0.1686481544E+00  0.4472556795E+00  0.7021144537E+00
  0.6368590667E-01  0.7021144537E+00 -0.7431455119E+00
 Eigenvalues of Hessian: -0.1071240935E+01 -0.1008666572E+01  0.7906261820E+00
 Eigenvectors(columns) of Hessian:
  0.2122200599E+00  0.9720632091E+00 -0.1002784310E+00
 -0.4294442099E+00  0.5924586321E-03 -0.9030931954E+00
  0.8778042588E+00 -0.2347184836E+00 -0.4175726484E+00
 Determinant of Hessian:  0.8542912935E+00
 Ellipticity of electron density:    0.062037
 eta index:    1.354927
 
 ----------------   CP    72,     Type (3,-1)   ----------------
 Connected atoms:    21(H )   --    51(N )
 Position (Bohr):        1.385811963444    3.601036055974   -4.045894591238
 Position (Angstrom):    0.733340109651    1.905586216461   -2.140995215399
 Density of all electrons:  0.6957696530E-02
 Density of Alpha electrons:  0.3478848265E-02
 Density of Beta electrons:  0.3478848265E-02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.5182169373E-02
 G(r) in X,Y,Z:  0.4047898077E-02  0.6038727428E-03  0.5303985536E-03
 Hamiltonian kinetic energy K(r): -0.1134323263E-02
 Potential energy density V(r): -0.4047846110E-02
 Energy density E(r) or H(r):  0.1134323263E-02
 Laplacian of electron density:  0.2526597055E-01
 Electron localization function (ELF):  0.1928416925E-01
 Localized orbital locator (LOL):  0.1231890453E+00
 Local information entropy:  0.2669211291E-03
 Reduced density gradient (RDG):  0.2066232270E-15
 Reduced density gradient with promolecular approximation:  0.2598450212E+00
 Sign(lambda2)*rho: -0.6957696530E-02
 Sign(lambda2)*rho with promolecular approximation: -0.1224780647E-01
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1094244654E-05
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.3596260112E-03
 Wavefunction value for orbital         1 : -0.4899012387E-05
 Average local ionization energy (ALIE):  0.4173657488E+00
 Delta-g (under promolecular approximation):  0.1564646363E-01
 Delta-g (under Hirshfeld partition):  0.1278938517E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4614427991E+02
 ESP from electrons: -0.4029404457E+02
 Total ESP:  0.5850235347E+01 a.u. ( 0.1591930E+03 eV, 0.3671081E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.2059984128E-17 -0.2439454888E-18  0.4336808690E-18
 Norm of gradient is:  0.2119227006E-17
 
 Components of Laplacian in x/y/z are:
  0.3026276243E-01 -0.2293951269E-02 -0.2702840614E-02
 Total:  0.2526597055E-01
 
 Hessian matrix:
  0.3026276243E-01  0.4513714587E-02 -0.9497294875E-02
  0.4513714587E-02 -0.2293951269E-02 -0.1015786433E-02
 -0.9497294875E-02 -0.1015786433E-02 -0.2702840614E-02
 Eigenvalues of Hessian: -0.5257475558E-02 -0.2878412314E-02  0.3340185842E-01
 Eigenvectors(columns) of Hessian:
  0.2666380909E+00  0.1037571523E+00  0.9581954821E+00
 -0.7681078648E-01 -0.9887383926E+00  0.1284386784E+00
  0.9607310922E+00 -0.1078463926E+00 -0.2556656489E+00
 Determinant of Hessian:  0.5054764155E-06
 Ellipticity of electron density:    0.826519
 eta index:    0.157401
 
 ----------------   CP    73,     Type (3,-1)   ----------------
 Connected atoms:    11(C )   --    12(C )
 Position (Bohr):        5.237159380197    2.622160077270   -6.135389495095
 Position (Angstrom):    2.771385393867    1.387587356231   -3.246708300818
 Density of all electrons:  0.3173931872E+00
 Density of Alpha electrons:  0.1586965936E+00
 Density of Beta electrons:  0.1586965936E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.1056785914E+00
 G(r) in X,Y,Z:  0.3846842358E-01  0.4024684261E-01  0.2696332526E-01
 Hamiltonian kinetic energy K(r):  0.3104831831E+00
 Potential energy density V(r): -0.4161617745E+00
 Energy density E(r) or H(r): -0.3104831831E+00
 Laplacian of electron density: -0.8192183666E+00
 Electron localization function (ELF):  0.9415095319E+00
 Localized orbital locator (LOL):  0.8004972310E+00
 Local information entropy:  0.7783049959E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.3173931872E+00
 Sign(lambda2)*rho with promolecular approximation: -0.2240191376E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.6367468627E-05
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.7685723940E-02
 Wavefunction value for orbital         1 :  0.9398033233E-06
 Average local ionization energy (ALIE):  0.5634370287E+00
 Delta-g (under promolecular approximation):  0.3953597538E+00
 Delta-g (under Hirshfeld partition):  0.5678786554E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4357055713E+02
 ESP from electrons: -0.3895554110E+02
 Total ESP:  0.4615016033E+01 a.u. ( 0.1255810E+03 eV, 0.2895969E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.1110223025E-15 -0.8673617380E-17  0.1283695372E-15
 Norm of gradient is:  0.1699409349E-15
 
 Components of Laplacian in x/y/z are:
 -0.1821732685E+00 -0.6398994397E+00  0.2854341658E-02
 Total: -0.8192183666E+00
 
 Hessian matrix:
 -0.1821732685E+00  0.4424907163E-01 -0.4373444862E+00
  0.4424907163E-01 -0.6398994397E+00 -0.1699213504E-01
 -0.4373444862E+00 -0.1699213504E-01  0.2854341658E-02
 Eigenvalues of Hessian: -0.6466744930E+00 -0.5315958477E+00  0.3590519741E+00
 Eigenvectors(columns) of Hessian:
 -0.1884871896E+00  0.7533645125E+00 -0.6300115005E+00
  0.9768310994E+00  0.2100284924E+00 -0.4109787803E-01
 -0.1013586828E+00  0.6231612502E+00  0.7754975652E+00
 Determinant of Hessian:  0.1234311087E+00
 Ellipticity of electron density:    0.216478
 eta index:    1.801061
 
 ----------------   CP    74,     Type (3,-1)   ----------------
 Connected atoms:    23(C )   --    28(O )
 Position (Bohr):        2.651451007562    4.980746311184    1.211847861088
 Position (Angstrom):    1.403087449027    2.635697441167    0.641282271169
 Density of all electrons:  0.3304018180E+00
 Density of Alpha electrons:  0.1652009090E+00
 Density of Beta electrons:  0.1652009090E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.4846082776E+00
 G(r) in X,Y,Z:  0.1324963336E+00  0.2230233048E+00  0.1290886392E+00
 Hamiltonian kinetic energy K(r):  0.5471622609E+00
 Potential energy density V(r): -0.1031770538E+01
 Energy density E(r) or H(r): -0.5471622609E+00
 Laplacian of electron density: -0.2502159332E+00
 Electron localization function (ELF):  0.4667455462E+00
 Localized orbital locator (LOL):  0.4833594980E+00
 Local information entropy:  0.8053959232E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.3304018180E+00
 Sign(lambda2)*rho with promolecular approximation: -0.3267591549E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1099157933E-04
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.3450165568E-02
 Wavefunction value for orbital         1 :  0.1486834175E-06
 Average local ionization energy (ALIE):  0.1075090769E+01
 Delta-g (under promolecular approximation):  0.3402740435E+00
 Delta-g (under Hirshfeld partition):  0.4403530687E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.5216242797E+02
 ESP from electrons: -0.4501955063E+02
 Total ESP:  0.7142877336E+01 a.u. ( 0.1943676E+03 eV, 0.4482227E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.2471980953E-14  0.1278144257E-13  0.2095545959E-14
 Norm of gradient is:  0.1318587414E-13
 
 Components of Laplacian in x/y/z are:
 -0.6793550898E+00  0.1129633740E+01 -0.7004945836E+00
 Total: -0.2502159332E+00
 
 Hessian matrix:
 -0.6793550898E+00 -0.3603201255E+00 -0.5640792562E-01
 -0.3603201255E+00  0.1129633740E+01  0.2998716813E+00
 -0.5640792562E-01  0.2998716813E+00 -0.7004945836E+00
 Eigenvalues of Hessian: -0.7494904429E+00 -0.7473045411E+00  0.1246579051E+01
 Eigenvectors(columns) of Hessian:
  0.7013582692E+00  0.6880976360E+00 -0.1860597257E+00
  0.2415073484E+00  0.1619515497E-01  0.9702638392E+00
 -0.6706495201E+00  0.7254373579E+00  0.1548220296E+00
 Determinant of Hessian:  0.6982059489E+00
 Ellipticity of electron density:    0.002925
 eta index:    0.601238
 
 ----------------   CP    75,     Type (3,-1)   ----------------
 Connected atoms:    27(C )   --    33(H )
 Position (Bohr):       -3.948120037331    6.856425836281    5.037567081349
 Position (Angstrom):   -2.089255149665    3.628264300806    2.665765697845
 Density of all electrons:  0.2738441627E+00
 Density of Alpha electrons:  0.1369220814E+00
 Density of Beta electrons:  0.1369220814E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.4551404050E-01
 G(r) in X,Y,Z:  0.1917356608E-01  0.1553173811E-01  0.1080873631E-01
 Hamiltonian kinetic energy K(r):  0.2915153194E+00
 Potential energy density V(r): -0.3370293599E+00
 Energy density E(r) or H(r): -0.2915153194E+00
 Laplacian of electron density: -0.9840051158E+00
 Electron localization function (ELF):  0.9814978519E+00
 Localized orbital locator (LOL):  0.8792998061E+00
 Local information entropy:  0.6861579190E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.2738441627E+00
 Sign(lambda2)*rho with promolecular approximation: -0.1824190837E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1477711232E-04
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.8348473855E-02
 Wavefunction value for orbital         1 : -0.3575386369E-06
 Average local ionization energy (ALIE):  0.4593050194E+00
 Delta-g (under promolecular approximation):  0.2795932345E+00
 Delta-g (under Hirshfeld partition):  0.4891760546E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.3577622858E+02
 ESP from electrons: -0.3202856555E+02
 Total ESP:  0.3747663030E+01 a.u. ( 0.1019791E+03 eV, 0.2351696E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.9367506770E-16  0.2775557562E-16  0.9887923813E-16
 Norm of gradient is:  0.1390053741E-15
 
 Components of Laplacian in x/y/z are:
 -0.6063500615E+00 -0.3175620307E+00 -0.6009302357E-01
 Total: -0.9840051158E+00
 
 Hessian matrix:
 -0.6063500615E+00  0.1449456944E+00  0.1932810395E+00
  0.1449456944E+00 -0.3175620307E+00  0.4562752001E+00
  0.1932810395E+00  0.4562752001E+00 -0.6009302357E-01
 Eigenvalues of Hessian: -0.6678242066E+00 -0.6626945583E+00  0.3465136491E+00
 Eigenvectors(columns) of Hessian:
 -0.9482082665E+00 -0.2012478683E+00  0.2457648852E+00
 -0.2053760080E-01  0.8109208286E+00  0.5847953631E+00
  0.3169846846E+00 -0.5494603765E+00  0.7730549815E+00
 Determinant of Hessian:  0.1533542821E+00
 Ellipticity of electron density:    0.007741
 eta index:    1.927267
 
 ----------------   CP    76,     Type (3,-1)   ----------------
 Connected atoms:    24(C )   --    25(C )
 Position (Bohr):       -0.945398734600    5.824536721534    2.450514315956
 Position (Angstrom):   -0.500283465567    3.082212097104    1.296756330995
 Density of all electrons:  0.2913114264E+00
 Density of Alpha electrons:  0.1456557132E+00
 Density of Beta electrons:  0.1456557132E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.8435261797E-01
 G(r) in X,Y,Z:  0.1988188931E-01  0.2202367822E-01  0.4244705044E-01
 Hamiltonian kinetic energy K(r):  0.2627092544E+00
 Potential energy density V(r): -0.3470618724E+00
 Energy density E(r) or H(r): -0.2627092544E+00
 Laplacian of electron density: -0.7134265458E+00
 Electron localization function (ELF):  0.9499571680E+00
 Localized orbital locator (LOL):  0.8133440848E+00
 Local information entropy:  0.7233983878E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.2913114264E+00
 Sign(lambda2)*rho with promolecular approximation: -0.2038316187E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.4076534304E-04
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.8885491966E-02
 Wavefunction value for orbital         1 : -0.2268832213E-05
 Average local ionization energy (ALIE):  0.5460846139E+00
 Delta-g (under promolecular approximation):  0.3663609928E+00
 Delta-g (under Hirshfeld partition):  0.5334929554E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4744275938E+02
 ESP from electrons: -0.4226238190E+02
 Total ESP:  0.5180377473E+01 a.u. ( 0.1409652E+03 eV, 0.3250739E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.7632783294E-16 -0.4163336342E-16  0.1214306433E-16
 Norm of gradient is:  0.8778797778E-16
 
 Components of Laplacian in x/y/z are:
 -0.4897699550E-01 -0.2153886092E+00 -0.4490609411E+00
 Total: -0.7134265458E+00
 
 Hessian matrix:
 -0.4897699550E-01  0.4269932376E+00 -0.1508573300E+00
  0.4269932376E+00 -0.2153886092E+00 -0.1625687106E+00
 -0.1508573300E+00 -0.1625687106E+00 -0.4490609411E+00
 Eigenvalues of Hessian: -0.5788418629E+00 -0.4970316790E+00  0.3624469961E+00
 Eigenvectors(columns) of Hessian:
  0.5189753057E+00  0.4286232518E+00 -0.7395584764E+00
 -0.7729537370E+00 -0.1340986742E+00 -0.6201290721E+00
 -0.3649755506E+00  0.8934761629E+00  0.2617120438E+00
 Determinant of Hessian:  0.1042769950E+00
 Ellipticity of electron density:    0.164598
 eta index:    1.597039
 
 ----------------   CP    77,     Type (3,-1)   ----------------
 Connected atoms:    27(C )   --    35(H )
 Position (Bohr):       -4.954501302306    6.812327938765    3.203312648151
 Position (Angstrom):   -2.621809180569    3.604928698392    1.695120052799
 Density of all electrons:  0.2711380084E+00
 Density of Alpha electrons:  0.1355690042E+00
 Density of Beta electrons:  0.1355690042E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.4490927058E-01
 G(r) in X,Y,Z:  0.1635898248E-01  0.1604570126E-01  0.1250458684E-01
 Hamiltonian kinetic energy K(r):  0.2876437427E+00
 Potential energy density V(r): -0.3325530133E+00
 Energy density E(r) or H(r): -0.2876437427E+00
 Laplacian of electron density: -0.9709378885E+00
 Electron localization function (ELF):  0.9813820587E+00
 Localized orbital locator (LOL):  0.8789623827E+00
 Local information entropy:  0.6803528706E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.2711380084E+00
 Sign(lambda2)*rho with promolecular approximation: -0.1811786311E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.9432029698E-05
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.8573546358E-02
 Wavefunction value for orbital         1 : -0.1203350723E-04
 Average local ionization energy (ALIE):  0.4601234004E+00
 Delta-g (under promolecular approximation):  0.2814741264E+00
 Delta-g (under Hirshfeld partition):  0.4878330024E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.3644272024E+02
 ESP from electrons: -0.3256064989E+02
 Total ESP:  0.3882070351E+01 a.u. ( 0.1056365E+03 eV, 0.2436038E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.3313321839E-15  0.2220446049E-15 -0.1127570259E-15
 Norm of gradient is:  0.4144863925E-15
 
 Components of Laplacian in x/y/z are:
 -0.3738872983E+00 -0.3536935154E+00 -0.2433570747E+00
 Total: -0.9709378885E+00
 
 Hessian matrix:
 -0.3738872983E+00 -0.2915501596E+00  0.3437610171E+00
 -0.2915501596E+00 -0.3536935154E+00 -0.3534079521E+00
  0.3437610171E+00 -0.3534079521E+00 -0.2433570747E+00
 Eigenvalues of Hessian: -0.6586584750E+00 -0.6549702911E+00  0.3426908777E+00
 Eigenvectors(columns) of Hessian:
  0.6893876288E+00 -0.4911678119E+00  0.5324461267E+00
 -0.1597346627E+00 -0.8200045422E+00 -0.5496156733E+00
 -0.7065617700E+00 -0.2938481433E+00  0.6437575117E+00
 Determinant of Hessian:  0.1478374386E+00
 Ellipticity of electron density:    0.005631
 eta index:    1.922019
 
 ----------------   CP    78,     Type (3,-1)   ----------------
 Connected atoms:    12(C )   --    21(H )
 Position (Bohr):        3.791490934219    3.675968934189   -4.738382711228
 Position (Angstrom):    2.006370597734    1.945238987960   -2.507444147318
 Density of all electrons:  0.2849331780E+00
 Density of Alpha electrons:  0.1424665890E+00
 Density of Beta electrons:  0.1424665890E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.3625398855E-01
 G(r) in X,Y,Z:  0.1392153326E-01  0.7011527244E-02  0.1532092805E-01
 Hamiltonian kinetic energy K(r):  0.3087757335E+00
 Potential energy density V(r): -0.3450297221E+00
 Energy density E(r) or H(r): -0.3087757335E+00
 Laplacian of electron density: -0.1090086980E+01
 Electron localization function (ELF):  0.9896292599E+00
 Localized orbital locator (LOL):  0.9071604663E+00
 Local information entropy:  0.7098450918E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.2849331780E+00
 Sign(lambda2)*rho with promolecular approximation: -0.1806817713E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.6155838995E-05
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.1222623849E-01
 Wavefunction value for orbital         1 : -0.1521110293E-05
 Average local ionization energy (ALIE):  0.4827486141E+00
 Delta-g (under promolecular approximation):  0.2932166543E+00
 Delta-g (under Hirshfeld partition):  0.5224425008E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4467001476E+02
 ESP from electrons: -0.3932803692E+02
 Total ESP:  0.5341977843E+01 a.u. ( 0.1453626E+03 eV, 0.3352145E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.4640385298E-16  0.7806255642E-16 -0.1457167720E-15
 Norm of gradient is:  0.1716987418E-15
 
 Components of Laplacian in x/y/z are:
 -0.4878650343E+00  0.3621249035E-01 -0.6384344361E+00
 Total: -0.1090086980E+01
 
 Hessian matrix:
 -0.4878650343E+00 -0.4257416059E+00 -0.1384721078E+00
 -0.4257416059E+00  0.3621249035E-01  0.2654454478E+00
 -0.1384721078E+00  0.2654454478E+00 -0.6384344361E+00
 Eigenvalues of Hessian: -0.7350878871E+00 -0.7184890271E+00  0.3634899342E+00
 Eigenvectors(columns) of Hessian:
 -0.4734535670E+00 -0.7478319986E+00 -0.4653912566E+00
 -0.5087865841E+00 -0.1991113843E+00  0.8375505170E+00
  0.7190117744E+00 -0.6333261075E+00  0.2862168930E+00
 Determinant of Hessian:  0.1919781469E+00
 Ellipticity of electron density:    0.023102
 eta index:    2.022306
 
 ----------------   CP    79,     Type (3,-1)   ----------------
 Connected atoms:    23(C )   --    24(C )
 Position (Bohr):        1.239909669060    6.213889813114    1.721980813749
 Position (Angstrom):    0.656131940445    3.288248880162    0.911233004248
 Density of all electrons:  0.2864716561E+00
 Density of Alpha electrons:  0.1432358281E+00
 Density of Beta electrons:  0.1432358281E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.8369957177E-01
 G(r) in X,Y,Z:  0.1150049686E-01  0.2810362457E-01  0.4409545034E-01
 Hamiltonian kinetic energy K(r):  0.2546919132E+00
 Potential energy density V(r): -0.3383914850E+00
 Energy density E(r) or H(r): -0.2546919132E+00
 Laplacian of electron density: -0.6839693657E+00
 Electron localization function (ELF):  0.9480061448E+00
 Localized orbital locator (LOL):  0.8102656450E+00
 Local information entropy:  0.7131189322E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.2864716561E+00
 Sign(lambda2)*rho with promolecular approximation: -0.2008041441E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.3716963674E-04
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.8289197512E-02
 Wavefunction value for orbital         1 : -0.1662722668E-05
 Average local ionization energy (ALIE):  0.5429684708E+00
 Delta-g (under promolecular approximation):  0.3573732231E+00
 Delta-g (under Hirshfeld partition):  0.5258679915E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4738514776E+02
 ESP from electrons: -0.4218992495E+02
 Total ESP:  0.5195222815E+01 a.u. ( 0.1413692E+03 eV, 0.3260054E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.2949029909E-16 -0.2220446049E-15 -0.4770489559E-16
 Norm of gradient is:  0.2290179936E-15
 
 Components of Laplacian in x/y/z are:
  0.1977088605E+00 -0.4643850805E+00 -0.4172931458E+00
 Total: -0.6839693657E+00
 
 Hessian matrix:
  0.1977088605E+00 -0.2774156144E+00 -0.2047127115E+00
 -0.2774156144E+00 -0.4643850805E+00  0.7536087553E-01
 -0.2047127115E+00  0.7536087553E-01 -0.4172931458E+00
 Eigenvalues of Hessian: -0.5652623794E+00 -0.4785196846E+00  0.3598126982E+00
 Eigenvectors(columns) of Hessian:
 -0.3394740945E+00  0.2572892499E+00 -0.9047428259E+00
 -0.9405686698E+00 -0.8326453435E-01  0.3292378998E+00
  0.9376382165E-02  0.9627404942E+00  0.2702643599E+00
 Determinant of Hessian:  0.9732544006E-01
 Ellipticity of electron density:    0.181273
 eta index:    1.570991
 
 ----------------   CP    80,     Type (3,-1)   ----------------
 Connected atoms:    11(C )   --    20(H )
 Position (Bohr):        6.262355240496    3.767949176523   -7.773306607630
 Position (Angstrom):    3.313895679850    1.993912836057   -4.113456710120
 Density of all electrons:  0.2848264446E+00
 Density of Alpha electrons:  0.1424132223E+00
 Density of Beta electrons:  0.1424132223E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.4003918506E-01
 G(r) in X,Y,Z:  0.1845012678E-01  0.6801173999E-02  0.1478788428E-01
 Hamiltonian kinetic energy K(r):  0.3109818097E+00
 Potential energy density V(r): -0.3510209948E+00
 Energy density E(r) or H(r): -0.3109818097E+00
 Laplacian of electron density: -0.1083770499E+01
 Electron localization function (ELF):  0.9873644740E+00
 Localized orbital locator (LOL):  0.8983946414E+00
 Local information entropy:  0.7096178544E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.2848264446E+00
 Sign(lambda2)*rho with promolecular approximation: -0.1843195415E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.3860914938E-06
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.8083179991E-02
 Wavefunction value for orbital         1 :  0.3729804081E-06
 Average local ionization energy (ALIE):  0.4895354521E+00
 Delta-g (under promolecular approximation):  0.2922243745E+00
 Delta-g (under Hirshfeld partition):  0.5157889730E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.3563185701E+02
 ESP from electrons: -0.3187633316E+02
 Total ESP:  0.3755523848E+01 a.u. ( 0.1021930E+03 eV, 0.2356629E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.6071532166E-17 -0.2029626467E-15 -0.1014813233E-15
 Norm of gradient is:  0.2270003490E-15
 
 Components of Laplacian in x/y/z are:
 -0.6873122459E+00  0.5714295021E-01 -0.4536012029E+00
 Total: -0.1083770499E+01
 
 Hessian matrix:
 -0.6873122459E+00  0.1533049409E+00 -0.8494009157E-01
  0.1533049409E+00  0.5714295021E-01 -0.4531232757E+00
 -0.8494009157E-01 -0.4531232757E+00 -0.4536012029E+00
 Eigenvalues of Hessian: -0.7216302383E+00 -0.7135972941E+00  0.3514570338E+00
 Eigenvectors(columns) of Hessian:
  0.6292469244E+00 -0.7591985180E+00 -0.1663307499E+00
 -0.4796784145E+00 -0.2109747837E+00 -0.8517031521E+00
 -0.6115201769E+00 -0.6157168594E+00  0.4969263752E+00
 Determinant of Hessian:  0.1809839894E+00
 Ellipticity of electron density:    0.011257
 eta index:    2.053253
 
 ----------------   CP    81,     Type (3,-1)   ----------------
 Connected atoms:    24(C )   --    53(N )
 Position (Bohr):       -0.533749473779    6.914913414325    0.325066587800
 Position (Angstrom):   -0.282448057855    3.659214594228    0.172017830290
 Density of all electrons:  0.6666266357E-01
 Density of Alpha electrons:  0.3333133178E-01
 Density of Beta electrons:  0.3333133178E-01
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.4526928271E-01
 G(r) in X,Y,Z:  0.9146839497E-02  0.6483485168E-02  0.2963895805E-01
 Hamiltonian kinetic energy K(r):  0.1194596143E-01
 Potential energy density V(r): -0.5721524414E-01
 Energy density E(r) or H(r): -0.1194596143E-01
 Laplacian of electron density:  0.1332932851E+00
 Electron localization function (ELF):  0.3256910871E+00
 Localized orbital locator (LOL):  0.4100766263E+00
 Local information entropy:  0.2011596864E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.7452595718E-01
 Sign(lambda2)*rho: -0.6666266357E-01
 Sign(lambda2)*rho with promolecular approximation: -0.7125504600E-01
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1738174998E-05
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.1527725147E-02
 Wavefunction value for orbital         1 : -0.3446433061E-05
 Average local ionization energy (ALIE):  0.4548887459E+00
 Delta-g (under promolecular approximation):  0.1301286571E+00
 Delta-g (under Hirshfeld partition):  0.1435009889E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4405049036E+02
 ESP from electrons: -0.3968679257E+02
 Total ESP:  0.4363697782E+01 a.u. ( 0.1187423E+03 eV, 0.2738264E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.2428612866E-16  0.5204170428E-17 -0.3382710778E-16
 Norm of gradient is:  0.4196632765E-16
 
 Components of Laplacian in x/y/z are:
 -0.3810468777E-01 -0.6966238866E-01  0.2410603616E+00
 Total:  0.1332932851E+00
 
 Hessian matrix:
 -0.3810468777E-01 -0.2146010152E-01  0.1059437113E+00
 -0.2146010152E-01 -0.6966238866E-01 -0.6395028578E-01
  0.1059437113E+00 -0.6395028578E-01  0.2410603616E+00
 Eigenvalues of Hessian: -0.8233563195E-01 -0.7375692172E-01  0.2893858388E+00
 Eigenvectors(columns) of Hessian:
  0.5264218522E-01 -0.9481489468E+00  0.3134363971E+00
  0.9827846569E+00 -0.6473011618E-02 -0.1846413232E+00
  0.1770963535E+00  0.3177604047E+00  0.9314854839E+00
 Determinant of Hessian:  0.1757388908E-02
 Ellipticity of electron density:    0.116311
 eta index:    0.284519
 
 ----------------   CP    82,     Type (3,-1)   ----------------
 Connected atoms:    52(N )   --    53(N )
 Position (Bohr):       -1.248705299815    6.385255069910   -1.960290422165
 Position (Angstrom):   -0.660786387796    3.378931468799   -1.037341018161
 Density of all electrons:  0.5374090497E+00
 Density of Alpha electrons:  0.2687045249E+00
 Density of Beta electrons:  0.2687045249E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.4900164823E+00
 G(r) in X,Y,Z:  0.2443482368E+00  0.5399626934E-01  0.1916719762E+00
 Hamiltonian kinetic energy K(r):  0.8184764559E+00
 Potential energy density V(r): -0.1308492938E+01
 Energy density E(r) or H(r): -0.8184764559E+00
 Laplacian of electron density: -0.1313839894E+01
 Electron localization function (ELF):  0.8124623093E+00
 Localized orbital locator (LOL):  0.6754775595E+00
 Local information entropy:  0.1215283703E-01
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.5374090497E+00
 Sign(lambda2)*rho with promolecular approximation: -0.4211131690E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.5280715487E-06
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.1538637277E-01
 Wavefunction value for orbital         1 :  0.2961018516E-06
 Average local ionization energy (ALIE):  0.8918976879E+00
 Delta-g (under promolecular approximation):  0.8061922921E+00
 Delta-g (under Hirshfeld partition):  0.1082553520E+01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4893603675E+02
 ESP from electrons: -0.4279444385E+02
 Total ESP:  0.6141592902E+01 a.u. ( 0.1671212E+03 eV, 0.3853911E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.7979727989E-16 -0.1645818898E-15 -0.1040834086E-15
 Norm of gradient is:  0.2104475238E-15
 
 Components of Laplacian in x/y/z are:
 -0.1004076565E+01  0.4128031779E+00 -0.7225665069E+00
 Total: -0.1313839894E+01
 
 Hessian matrix:
 -0.1004076565E+01  0.1669092622E+00  0.6652526442E-01
  0.1669092622E+00  0.4128031779E+00  0.7481237746E+00
  0.6652526442E-01  0.7481237746E+00 -0.7225665069E+00
 Eigenvalues of Hessian: -0.1096837002E+01 -0.1019003786E+01  0.8020008938E+00
 Eigenvectors(columns) of Hessian:
  0.1898090402E+00  0.9768497330E+00 -0.9867688402E-01
 -0.4527273250E+00 -0.2101820854E-02 -0.8916465396E+00
  0.8712120852E+00 -0.2139162956E+00 -0.4418476220E+00
 Determinant of Hessian:  0.8963812075E+00
 Ellipticity of electron density:    0.076382
 eta index:    1.367626
 
 ----------------   CP    83,     Type (3,-1)   ----------------
 Connected atoms:    22(C )   --    23(C )
 Position (Bohr):        3.531749144192    6.779992496418    1.010642065051
 Position (Angstrom):    1.868921161733    3.587817519198    0.534808749205
 Density of all electrons:  0.2534689662E+00
 Density of Alpha electrons:  0.1267344831E+00
 Density of Beta electrons:  0.1267344831E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.6054398323E-01
 G(r) in X,Y,Z:  0.1741755015E-01  0.1626087170E-01  0.2686556138E-01
 Hamiltonian kinetic energy K(r):  0.2073340072E+00
 Potential energy density V(r): -0.2678779904E+00
 Energy density E(r) or H(r): -0.2073340072E+00
 Laplacian of electron density: -0.5871600958E+00
 Electron localization function (ELF):  0.9586271594E+00
 Localized orbital locator (LOL):  0.8280121430E+00
 Local information entropy:  0.6422053887E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.2534689662E+00
 Sign(lambda2)*rho with promolecular approximation: -0.1803777246E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.2025119058E-06
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.6059313902E-02
 Wavefunction value for orbital         1 :  0.9855117744E-07
 Average local ionization energy (ALIE):  0.5127204226E+00
 Delta-g (under promolecular approximation):  0.3130438688E+00
 Delta-g (under Hirshfeld partition):  0.4732188728E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4310902303E+02
 ESP from electrons: -0.3859562487E+02
 Total ESP:  0.4513398164E+01 a.u. ( 0.1228158E+03 eV, 0.2832202E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.3469446952E-16 -0.6245004514E-16 -0.6938893904E-17
 Norm of gradient is:  0.7177647666E-16
 
 Components of Laplacian in x/y/z are:
 -0.8424030853E-01 -0.9535856672E-01 -0.4075612205E+00
 Total: -0.5871600958E+00
 
 Hessian matrix:
 -0.8424030853E-01  0.3826001589E+00 -0.1256357659E+00
  0.3826001589E+00 -0.9535856672E-01 -0.1324382102E+00
 -0.1256357659E+00 -0.1324382102E+00 -0.4075612205E+00
 Eigenvalues of Hessian: -0.4740693185E+00 -0.4506098296E+00  0.3375190522E+00
 Eigenvectors(columns) of Hessian:
  0.6337693117E+00  0.3485980635E+00 -0.6905185368E+00
 -0.7298675393E+00 -0.2615429039E-01 -0.6830880822E+00
 -0.2561832050E+00  0.9369073291E+00  0.2378546242E+00
 Determinant of Hessian:  0.7210091944E-01
 Ellipticity of electron density:    0.052062
 eta index:    1.404571
 
 ----------------   CP    84,     Type (3,-1)   ----------------
 Connected atoms:    24(C )   --    32(H )
 Position (Bohr):       -0.059040479622    7.904059765519    2.458797110548
 Position (Angstrom):   -0.031242876337    4.182648301528    1.301139397136
 Density of all electrons:  0.2850857570E+00
 Density of Alpha electrons:  0.1425428785E+00
 Density of Beta electrons:  0.1425428785E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.4032412414E-01
 G(r) in X,Y,Z:  0.1821002054E-01  0.3849371010E-02  0.1826473259E-01
 Hamiltonian kinetic energy K(r):  0.3108728645E+00
 Potential energy density V(r): -0.3511969886E+00
 Energy density E(r) or H(r): -0.3108728645E+00
 Laplacian of electron density: -0.1082194961E+01
 Electron localization function (ELF):  0.9872246635E+00
 Localized orbital locator (LOL):  0.8978846490E+00
 Local information entropy:  0.7101699099E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.2850857570E+00
 Sign(lambda2)*rho with promolecular approximation: -0.1834850711E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.2356278179E-05
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.1040342676E-01
 Wavefunction value for orbital         1 :  0.2390116578E-05
 Average local ionization energy (ALIE):  0.4794490634E+00
 Delta-g (under promolecular approximation):  0.2936880998E+00
 Delta-g (under Hirshfeld partition):  0.5188911152E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4032334368E+02
 ESP from electrons: -0.3602387702E+02
 Total ESP:  0.4299466668E+01 a.u. ( 0.1169944E+03 eV, 0.2697958E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.5204170428E-17 -0.2255140519E-16  0.3816391647E-16
 Norm of gradient is:  0.4463332596E-16
 
 Components of Laplacian in x/y/z are:
 -0.7143523103E+00  0.2665422623E+00 -0.6343849132E+00
 Total: -0.1082194961E+01
 
 Hessian matrix:
 -0.7143523103E+00 -0.7839656182E-01 -0.1986718966E-01
 -0.7839656182E-01  0.2665422623E+00  0.2819112925E+00
 -0.1986718966E-01  0.2819112925E+00 -0.6343849132E+00
 Eigenvalues of Hessian: -0.7215079276E+00 -0.7142893789E+00  0.3536023452E+00
 Eigenvectors(columns) of Hessian:
 -0.9227443579E+00  0.3779500610E+00 -0.7547583313E-01
 -0.1716700995E+00 -0.2277177272E+00  0.9584748372E+00
  0.3450684380E+00  0.8973841920E+00  0.2750079726E+00
 Determinant of Hessian:  0.1822344316E+00
 Ellipticity of electron density:    0.010106
 eta index:    2.040450
 
 ----------------   CP    85,     Type (3,-1)   ----------------
 Connected atoms:    22(C )   --    31(H )
 Position (Bohr):        5.497953882250    7.117586548778    0.148620532448
 Position (Angstrom):    2.909391901083    3.766464598243    0.078646598844
 Density of all electrons:  0.2775518603E+00
 Density of Alpha electrons:  0.1387759302E+00
 Density of Beta electrons:  0.1387759302E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.4303995900E-01
 G(r) in X,Y,Z:  0.1001105921E-01  0.1536225083E-01  0.1766664896E-01
 Hamiltonian kinetic energy K(r):  0.2978438602E+00
 Potential energy density V(r): -0.3408838192E+00
 Energy density E(r) or H(r): -0.2978438602E+00
 Laplacian of electron density: -0.1019215605E+01
 Electron localization function (ELF):  0.9841370694E+00
 Localized orbital locator (LOL):  0.8873668515E+00
 Local information entropy:  0.6940956933E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.2775518603E+00
 Sign(lambda2)*rho with promolecular approximation: -0.1821325943E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.3701049705E-06
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.9016876283E-02
 Wavefunction value for orbital         1 : -0.1097140825E-05
 Average local ionization energy (ALIE):  0.4645217357E+00
 Delta-g (under promolecular approximation):  0.2873970961E+00
 Delta-g (under Hirshfeld partition):  0.5024008499E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.3773865205E+02
 ESP from electrons: -0.3359481772E+02
 Total ESP:  0.4143834339E+01 a.u. ( 0.1127595E+03 eV, 0.2600297E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.1006139616E-15 -0.1092875790E-15 -0.1049507703E-15
 Norm of gradient is:  0.1818835022E-15
 
 Components of Laplacian in x/y/z are:
 -0.4211504593E-01 -0.4742806207E+00 -0.5028199383E+00
 Total: -0.1019215605E+01
 
 Hessian matrix:
 -0.4211504593E-01 -0.3677303148E+00 -0.3383873166E+00
 -0.3677303148E+00 -0.4742806207E+00  0.1952931559E+00
 -0.3383873166E+00  0.1952931559E+00 -0.5028199383E+00
 Eigenvalues of Hessian: -0.6852794482E+00 -0.6817112320E+00  0.3477750753E+00
 Eigenvectors(columns) of Hessian:
 -0.3122173786E+00  0.5300051145E+00 -0.7884255749E+00
 -0.8785995783E+00  0.1545891394E+00  0.4518461895E+00
  0.3613628225E+00  0.8337846104E+00  0.4173968543E+00
 Determinant of Hessian:  0.1624675421E+00
 Ellipticity of electron density:    0.005234
 eta index:    1.970467
 
 ----------------   CP    86,     Type (3,-1)   ----------------
 Connected atoms:    22(C )   --    29(H )
 Position (Bohr):        4.871005013914    8.344213240967    1.749356734261
 Position (Angstrom):    2.577624847557    4.415567490035    0.925719717511
 Density of all electrons:  0.2713487330E+00
 Density of Alpha electrons:  0.1356743665E+00
 Density of Beta electrons:  0.1356743665E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.4537813664E-01
 G(r) in X,Y,Z:  0.1982421294E-01  0.1744603910E-01  0.8107884597E-02
 Hamiltonian kinetic energy K(r):  0.2873555864E+00
 Potential energy density V(r): -0.3327337230E+00
 Energy density E(r) or H(r): -0.2873555864E+00
 Laplacian of electron density: -0.9679097989E+00
 Electron localization function (ELF):  0.9810469976E+00
 Localized orbital locator (LOL):  0.8779918378E+00
 Local information entropy:  0.6808052520E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.2713487330E+00
 Sign(lambda2)*rho with promolecular approximation: -0.1814295835E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.2771494353E-04
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.7844361498E-02
 Wavefunction value for orbital         1 :  0.1490974731E-05
 Average local ionization energy (ALIE):  0.4726516466E+00
 Delta-g (under promolecular approximation):  0.2794768083E+00
 Delta-g (under Hirshfeld partition):  0.4861597023E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.3555057076E+02
 ESP from electrons: -0.3173421534E+02
 Total ESP:  0.3816355421E+01 a.u. ( 0.1038483E+03 eV, 0.2394801E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.1370431546E-15 -0.1266348137E-15  0.3816391647E-16
 Norm of gradient is:  0.1904565221E-15
 
 Components of Laplacian in x/y/z are:
 -0.5602902702E+00 -0.4178746769E+00  0.1025514814E-01
 Total: -0.9679097989E+00
 
 Hessian matrix:
 -0.5602902702E+00  0.1506843457E+00  0.2559534601E+00
  0.1506843457E+00 -0.4178746769E+00  0.3975777017E+00
  0.2559534601E+00  0.3975777017E+00  0.1025514814E-01
 Eigenvalues of Hessian: -0.6586837768E+00 -0.6543863926E+00  0.3451603704E+00
 Eigenvectors(columns) of Hessian:
 -0.8364963678E+00 -0.4506957747E+00  0.3116843680E+00
 -0.2667997378E+00  0.8318010004E+00  0.4867494178E+00
  0.4786352750E+00 -0.3240068124E+00  0.8160440301E+00
 Determinant of Hessian:  0.1487757517E+00
 Ellipticity of electron density:    0.006567
 eta index:    1.908341
 
 ----------------   CP    87,     Type (3,-1)   ----------------
 Connected atoms:    22(C )   --    30(H )
 Position (Bohr):        3.998126280001    8.593768052006   -0.141103868093
 Position (Angstrom):    2.115717313689    4.547626208908   -0.074668951365
 Density of all electrons:  0.2739213871E+00
 Density of Alpha electrons:  0.1369606935E+00
 Density of Beta electrons:  0.1369606935E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.4373171585E-01
 G(r) in X,Y,Z:  0.1718863609E-01  0.1282423548E-01  0.1371884428E-01
 Hamiltonian kinetic energy K(r):  0.2927394069E+00
 Potential energy density V(r): -0.3364711228E+00
 Energy density E(r) or H(r): -0.2927394069E+00
 Laplacian of electron density: -0.9960307643E+00
 Electron localization function (ELF):  0.9829097549E+00
 Localized orbital locator (LOL):  0.8835240168E+00
 Local information entropy:  0.6863234325E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.2739213871E+00
 Sign(lambda2)*rho with promolecular approximation: -0.1813512498E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.2241338569E-04
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.8361516713E-02
 Wavefunction value for orbital         1 :  0.2363548308E-05
 Average local ionization energy (ALIE):  0.4700615363E+00
 Delta-g (under promolecular approximation):  0.2857418512E+00
 Delta-g (under Hirshfeld partition):  0.4959122358E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.3687873748E+02
 ESP from electrons: -0.3291372084E+02
 Total ESP:  0.3965016649E+01 a.u. ( 0.1078936E+03 eV, 0.2488088E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.0000000000E+00 -0.1144917494E-15 -0.2636779683E-15
 Norm of gradient is:  0.2874620526E-15
 
 Components of Laplacian in x/y/z are:
 -0.5447060142E+00 -0.2013102224E+00 -0.2500145277E+00
 Total: -0.9960307643E+00
 
 Hessian matrix:
 -0.5447060142E+00 -0.2435794491E+00  0.2315006851E+00
 -0.2435794491E+00 -0.2013102224E+00 -0.4397271909E+00
  0.2315006851E+00 -0.4397271909E+00 -0.2500145277E+00
 Eigenvalues of Hessian: -0.6721277011E+00 -0.6659815422E+00  0.3420784790E+00
 Eigenvectors(columns) of Hessian:
 -0.9288718087E+00  0.1078460908E+00 -0.3543534727E+00
 -0.1763266426E+00  0.7125751523E+00  0.6790769967E+00
  0.3257392793E+00  0.6932574363E+00 -0.6428748314E+00
 Determinant of Hessian:  0.1531227570E+00
 Ellipticity of electron density:    0.009229
 eta index:    1.964835
 
 ----------------   CP    88,     Type (3,+3)   ----------------
 Position (Bohr):       -1.597537168017   -0.277364587154    3.509396150240
 Position (Angstrom):   -0.845380262885   -0.146775018633    1.857092466738
 Density of all electrons:  0.5256400613E-02
 Density of Alpha electrons:  0.2628200306E-02
 Density of Beta electrons:  0.2628200306E-02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.5248862378E-02
 G(r) in X,Y,Z:  0.1930933115E-02  0.1797942725E-02  0.1519986538E-02
 Hamiltonian kinetic energy K(r): -0.1566930351E-02
 Potential energy density V(r): -0.3681932027E-02
 Energy density E(r) or H(r):  0.1566930351E-02
 Laplacian of electron density:  0.2726317092E-01
 Electron localization function (ELF):  0.7471220103E-02
 Localized orbital locator (LOL):  0.7997435802E-01
 Local information entropy:  0.2069938117E-03
 Reduced density gradient (RDG):  0.5494071895E-15
 Reduced density gradient with promolecular approximation:  0.2333530716E+00
 Sign(lambda2)*rho:  0.5256400613E-02
 Sign(lambda2)*rho with promolecular approximation:  0.9944117282E-02
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1822067257E-08
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.5612026871E-03
 Wavefunction value for orbital         1 : -0.2808699268E-04
 Average local ionization energy (ALIE):  0.4346639178E+00
 Delta-g (under promolecular approximation):  0.1564143318E-01
 Delta-g (under Hirshfeld partition):  0.9575603195E-02
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4874119339E+02
 ESP from electrons: -0.4270978257E+02
 Total ESP:  0.6031410816E+01 a.u. ( 0.1641230E+03 eV, 0.3784771E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.1084202172E-18  0.2168404345E-18  0.2818925648E-17
 Norm of gradient is:  0.2829331463E-17
 
 Components of Laplacian in x/y/z are:
  0.1084123108E-01  0.9609297008E-02  0.6812642827E-02
 Total:  0.2726317092E-01
 
 Hessian matrix:
  0.1084123108E-01  0.4185669325E-02  0.2951250945E-02
  0.4185669325E-02  0.9609297008E-02 -0.1028023066E-02
  0.2951250945E-02 -0.1028023066E-02  0.6812642827E-02
 Eigenvalues of Hessian:  0.3568323948E-02  0.8897826653E-02  0.1479702031E-01
 Eigenvectors(columns) of Hessian:
 -0.5566348722E+00 -0.2842559033E+00 -0.7806127083E+00
  0.4987435766E+00  0.6371236743E+00 -0.5876463805E+00
  0.6643887896E+00 -0.7164300420E+00 -0.2128744491E+00
 Determinant of Hessian:  0.4698102474E-06
 Ellipticity of electron density:   -0.598967
 eta index:    0.241152
 
 ----------------   CP    89,     Type (3,+1)   ----------------
 Position (Bohr):        0.648664471040    0.301647405095   -0.301957920474
 Position (Angstrom):    0.343258455597    0.159624932504   -0.159789250166
 Density of all electrons:  0.1246047491E+02
 Density of Alpha electrons:  0.6230237455E+01
 Density of Beta electrons:  0.6230237455E+01
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.2268952799E+03
 G(r) in X,Y,Z:  0.8221433553E+02  0.1029334616E+03  0.4174748277E+02
 Hamiltonian kinetic energy K(r):  0.2516420631E+03
 Potential energy density V(r): -0.4785373430E+03
 Energy density E(r) or H(r): -0.2516420631E+03
 Laplacian of electron density: -0.9898713280E+02
 Electron localization function (ELF):  0.4180083474E+00
 Localized orbital locator (LOL):  0.4587248158E+00
 Local information entropy:  0.1398570584E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho:  0.1246047491E+02
 Sign(lambda2)*rho with promolecular approximation: -0.1630583593E+02
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.6691542935E-02
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.1014456692E+02
 Wavefunction value for orbital         1 :  0.4390065703E-05
 Average local ionization energy (ALIE):  0.6930140787E+01
 Delta-g (under promolecular approximation):  0.1783532022E-02
 Delta-g (under Hirshfeld partition):  0.3239660692E-02
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.1761019021E+03
 ESP from electrons: -0.7995138779E+02
 Total ESP:  0.9615051429E+02 a.u. ( 0.2616389E+04 eV, 0.6033541E+05 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.7105427358E-14 -0.5329070518E-14  0.5329070518E-14
 Norm of gradient is:  0.1035785128E-13
 
 Components of Laplacian in x/y/z are:
 -0.5863716593E+01  0.1814050310E+03 -0.2745284472E+03
 Total: -0.9898713280E+02
 
 Hessian matrix:
 -0.5863716593E+01  0.1114786195E+02 -0.3793489232E+03
  0.1114786195E+02  0.1814050310E+03 -0.3665184232E+01
 -0.3793489232E+03 -0.3665184232E+01 -0.2745284472E+03
 Eigenvalues of Hessian: -0.5426435365E+03  0.1798928068E+03  0.2637635969E+03
 Eigenvectors(columns) of Hessian:
  0.5771948157E+00  0.1075241894E+00  0.8094965679E+00
 -0.4753169586E-02 -0.9908341792E+00  0.1350001361E+00
  0.8165926476E+00 -0.8176905313E-01 -0.5713932708E+00
 Determinant of Hessian: -0.2574798746E+08
 Ellipticity of electron density:   -4.016483
 eta index:    2.057310
 
 ----------------   CP    90,     Type (3,-3)   ----------------
 Corresponding nucleus:     1(Sm)
 Position (Bohr):        0.392118247881    0.303679007423   -0.664049995106
 Position (Angstrom):    0.207500040758    0.160700010158   -0.351400124310
 Density of all electrons:  0.2997320783E+03
 Density of Alpha electrons:  0.1498660391E+03
 Density of Beta electrons:  0.1498660391E+03
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.4648680654E+03
 G(r) in X,Y,Z:  0.1547108012E+03  0.1550679540E+03  0.1550893102E+03
 Hamiltonian kinetic energy K(r):  0.7498425416E+07
 Potential energy density V(r): -0.7498890284E+07
 Energy density E(r) or H(r): -0.7498425416E+07
 Laplacian of electron density: -0.2999184219E+08
 Electron localization function (ELF):  0.9998545607E+00
 Localized orbital locator (LOL):  0.9880830297E+00
 Local information entropy: -0.8958094515E-01
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.2997320783E+03
 Sign(lambda2)*rho with promolecular approximation: -0.7671681998E+06
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1999356292E+00
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.2879611225E+07
 Wavefunction value for orbital         1 :  0.3886442605E-04
 Average local ionization energy (ALIE):  0.3072915252E+01
 Delta-g (under promolecular approximation):  0.1334786415E-02
 Delta-g (under Hirshfeld partition):  0.7653724426E-04
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.2539781728E+09
 ESP from electrons: -0.8325745774E+02
 Total ESP:  0.2539780896E+09 a.u. ( 0.6911095E+10 eV, 0.1593738E+12 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.2208688787E-09 -0.2660325293E-09 -0.4036380119E-09
 Norm of gradient is:  0.5314884880E-09
 
 Components of Laplacian in x/y/z are:
 -0.9997241300E+07 -0.9997304698E+07 -0.9997296196E+07
 Total: -0.2999184219E+08
 
 Hessian matrix:
 -0.9997241300E+07  0.1245778890E+02  0.8581954452E+01
  0.1245778890E+02 -0.9997304698E+07 -0.2609402775E+02
  0.8581954452E+01 -0.2609402775E+02 -0.9997296196E+07
 Eigenvalues of Hessian: -0.9997329455E+07 -0.9997274072E+07 -0.9997238666E+07
 Eigenvectors(columns) of Hessian:
 -0.1683619178E+00 -0.4129143919E-01  0.9848600315E+00
  0.7539663378E+00  0.6382071709E+00  0.1556482203E+00
  0.6349716735E+00 -0.7687565441E+00  0.7631742804E-01
 Determinant of Hessian: -0.9991844411E+21
 Ellipticity of electron density:    0.000006
 eta index:   -1.000009
 
 ----------------   CP    91,     Type (3,+3)   ----------------
 Position (Bohr):        0.455670577303   -2.862977395174    1.720775828895
 Position (Angstrom):    0.241130485188   -1.515022392856    0.910595353724
 Density of all electrons:  0.4370228030E-02
 Density of Alpha electrons:  0.2185114015E-02
 Density of Beta electrons:  0.2185114015E-02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.3847652852E-02
 G(r) in X,Y,Z:  0.1500159765E-02  0.1513327518E-02  0.8341655689E-03
 Hamiltonian kinetic energy K(r): -0.1233497505E-02
 Potential energy density V(r): -0.2614155346E-02
 Energy density E(r) or H(r):  0.1233497505E-02
 Laplacian of electron density:  0.2032460143E-01
 Electron localization function (ELF):  0.7502979540E-02
 Localized orbital locator (LOL):  0.8018277372E-01
 Local information entropy:  0.1750203640E-03
 Reduced density gradient (RDG):  0.6211845309E-15
 Reduced density gradient with promolecular approximation:  0.4298092050E+00
 Sign(lambda2)*rho:  0.4370228030E-02
 Sign(lambda2)*rho with promolecular approximation:  0.9394106155E-02
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.7886757559E-06
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.4797565003E-03
 Wavefunction value for orbital         1 :  0.2179637615E-04
 Average local ionization energy (ALIE):  0.4301655141E+00
 Delta-g (under promolecular approximation):  0.1028304224E-01
 Delta-g (under Hirshfeld partition):  0.6941564845E-02
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.5098856071E+02
 ESP from electrons: -0.4389281906E+02
 Total ESP:  0.7095741646E+01 a.u. ( 0.1930849E+03 eV, 0.4452649E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.7589415207E-18  0.2168404345E-18 -0.2656295323E-17
 Norm of gradient is:  0.2771085861E-17
 
 Components of Laplacian in x/y/z are:
  0.8967161848E-02  0.8936623950E-02  0.2420815630E-02
 Total:  0.2032460143E-01
 
 Hessian matrix:
  0.8967161848E-02 -0.2898219420E-02  0.1669001356E-02
 -0.2898219420E-02  0.8936623950E-02  0.7022916943E-03
  0.1669001356E-02  0.7022916943E-03  0.2420815630E-02
 Eigenvalues of Hessian:  0.1725824567E-02  0.6696046668E-02  0.1190273019E-01
 Eigenvectors(columns) of Hessian:
 -0.2988740962E+00  0.6238693702E+00 -0.7221227621E+00
 -0.2107731798E+00  0.6948667202E+00  0.6875572033E+00
  0.9307249547E+00  0.3576971485E+00 -0.7618273203E-01
 Determinant of Hessian:  0.1375503526E-06
 Ellipticity of electron density:   -0.742262
 eta index:    0.144994
 
 ----------------   CP    92,     Type (3,+1)   ----------------
 Position (Bohr):       -2.732680623125    0.143895163933    3.603704028647
 Position (Angstrom):   -1.446072310434    0.076146041513    1.906998046799
 Density of all electrons:  0.6669297719E-02
 Density of Alpha electrons:  0.3334648860E-02
 Density of Beta electrons:  0.3334648860E-02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.5715765658E-02
 G(r) in X,Y,Z:  0.5577257187E-03  0.3111138265E-02  0.2046901674E-02
 Hamiltonian kinetic energy K(r): -0.1030130917E-02
 Potential energy density V(r): -0.4685634741E-02
 Energy density E(r) or H(r):  0.1030130917E-02
 Laplacian of electron density:  0.2698358630E-01
 Electron localization function (ELF):  0.1384675878E-01
 Localized orbital locator (LOL):  0.1061075494E+00
 Local information entropy:  0.2568801219E-03
 Reduced density gradient (RDG):  0.5775762067E-15
 Reduced density gradient with promolecular approximation:  0.4725080619E+00
 Sign(lambda2)*rho:  0.6669297719E-02
 Sign(lambda2)*rho with promolecular approximation:  0.8890217152E-02
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.2152709157E-06
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.4745462791E-03
 Wavefunction value for orbital         1 :  0.1580439932E-04
 Average local ionization energy (ALIE):  0.3799596653E+00
 Delta-g (under promolecular approximation):  0.1336187250E-01
 Delta-g (under Hirshfeld partition):  0.1237716387E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4633387079E+02
 ESP from electrons: -0.4105335133E+02
 Total ESP:  0.5280519463E+01 a.u. ( 0.1436902E+03 eV, 0.3313579E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.6234162492E-18 -0.4119968255E-17  0.8673617380E-18
 Norm of gradient is:  0.4256184046E-17
 
 Components of Laplacian in x/y/z are:
 -0.2722247712E-02  0.1999602703E-01  0.9709806981E-02
 Total:  0.2698358630E-01
 
 Hessian matrix:
 -0.2722247712E-02  0.6358744946E-02 -0.3101094268E-02
  0.6358744946E-02  0.1999602703E-01 -0.5611256335E-02
 -0.3101094268E-02 -0.5611256335E-02  0.9709806981E-02
 Eigenvalues of Hessian: -0.4576808717E-02  0.7247059820E-02  0.2431333520E-01
 Eigenvectors(columns) of Hessian:
  0.9672366501E+00 -0.2096761264E-01 -0.2530091341E+00
 -0.2222868394E+00  0.4114952849E+00 -0.8838892417E+00
  0.1226451129E+00  0.9111706699E+00  0.3933524966E+00
 Determinant of Hessian: -0.8064345865E-06
 Ellipticity of electron density:   -1.631540
 eta index:    0.188243
 
 ----------------   CP    93,     Type (3,+1)   ----------------
 Position (Bohr):        1.734840686391    1.130640728717    1.811730736465
 Position (Angstrom):    0.918038155786    0.598309307356    0.958726618030
 Density of all electrons:  0.2031924370E-01
 Density of Alpha electrons:  0.1015962185E-01
 Density of Beta electrons:  0.1015962185E-01
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.2017015790E-01
 G(r) in X,Y,Z:  0.3732644975E-02  0.6678432346E-02  0.9759080579E-02
 Hamiltonian kinetic energy K(r): -0.5227893032E-03
 Potential energy density V(r): -0.1964736860E-01
 Energy density E(r) or H(r):  0.5227893032E-03
 Laplacian of electron density:  0.8277178881E-01
 Electron localization function (ELF):  0.4429002955E-01
 Localized orbital locator (LOL):  0.1772120036E+00
 Local information entropy:  0.7006154549E-03
 Reduced density gradient (RDG):  0.2708895805E-15
 Reduced density gradient with promolecular approximation:  0.7351047212E-01
 Sign(lambda2)*rho:  0.2031924370E-01
 Sign(lambda2)*rho with promolecular approximation:  0.2402931013E-01
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1001063023E-04
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.2393940660E-02
 Wavefunction value for orbital         1 :  0.4635848577E-05
 Average local ionization energy (ALIE):  0.5674372403E+00
 Delta-g (under promolecular approximation):  0.4449780634E-01
 Delta-g (under Hirshfeld partition):  0.3970058972E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.5761339809E+02
 ESP from electrons: -0.4788685748E+02
 Total ESP:  0.9726540606E+01 a.u. ( 0.2646726E+03 eV, 0.6103501E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.8673617380E-17  0.5095750211E-17 -0.1084202172E-17
 Norm of gradient is:  0.1011799402E-16
 
 Components of Laplacian in x/y/z are:
  0.7892443564E-03  0.2251264263E-01  0.5946990182E-01
 Total:  0.8277178881E-01
 
 Hessian matrix:
  0.7892443564E-03  0.1927707228E-01  0.2239392927E-01
  0.1927707228E-01  0.2251264263E-01 -0.1529364731E-01
  0.2239392927E-01 -0.1529364731E-01  0.5946990182E-01
 Eigenvalues of Hessian: -0.1972353446E-01  0.3369166247E-01  0.6880366080E-01
 Eigenvectors(columns) of Hessian:
 -0.8111002107E+00  0.5275998151E+00  0.2524972939E+00
  0.4873231626E+00  0.8483032080E+00 -0.2071178469E+00
  0.3234696021E+00  0.4494554944E-01  0.9451705212E+00
 Determinant of Hessian: -0.4572131687E-04
 Ellipticity of electron density:   -1.585413
 eta index:    0.286664
 
 ----------------   CP    94,     Type (3,-1)   ----------------
 Position (Bohr):        0.559216252439    0.673162380473   -0.830574927205
 Position (Angstrom):    0.295924496757    0.356222190984   -0.439521323424
 Density of all electrons:  0.1392764161E+02
 Density of Alpha electrons:  0.6963820803E+01
 Density of Beta electrons:  0.6963820803E+01
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.1894152223E+03
 G(r) in X,Y,Z:  0.8432217207E+02  0.3822391157E+02  0.6686913870E+02
 Hamiltonian kinetic energy K(r):  0.3082836234E+03
 Potential energy density V(r): -0.4976988457E+03
 Energy density E(r) or H(r): -0.3082836234E+03
 Laplacian of electron density: -0.4754736041E+03
 Electron localization function (ELF):  0.5989724565E+00
 Localized orbital locator (LOL):  0.5499807218E+00
 Local information entropy:  0.1507074469E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1392764161E+02
 Sign(lambda2)*rho with promolecular approximation: -0.1654706347E+02
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1596667717E-01
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.3136005823E+02
 Wavefunction value for orbital         1 : -0.1474424589E-05
 Average local ionization energy (ALIE):  0.6204026559E+01
 Delta-g (under promolecular approximation):  0.1959286865E-02
 Delta-g (under Hirshfeld partition):  0.4026116390E-02
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.1777558213E+03
 ESP from electrons: -0.8006473859E+02
 Total ESP:  0.9769108269E+02 a.u. ( 0.2658310E+04 eV, 0.6130213E+05 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.4529709940E-13  0.1065814104E-13 -0.1509903313E-13
 Norm of gradient is:  0.4892242826E-13
 
 Components of Laplacian in x/y/z are:
 -0.5870929715E+01 -0.3332700346E+03 -0.1363326398E+03
 Total: -0.4754736041E+03
 
 Hessian matrix:
 -0.5870929715E+01 -0.2885314136E+03 -0.7901444397E+02
 -0.2885314136E+03 -0.3332700346E+03  0.2291093948E+03
 -0.7901444397E+02  0.2291093948E+03 -0.1363326398E+03
 Eigenvalues of Hessian: -0.5665074851E+03 -0.1649411379E+03  0.2559750189E+03
 Eigenvectors(columns) of Hessian:
  0.3805937284E+00 -0.5822727192E+00 -0.7184058006E+00
  0.8433849128E+00 -0.1000669783E+00  0.5279095459E+00
 -0.3792760245E+00 -0.8068116759E+00  0.4529951621E+00
 Determinant of Hessian:  0.2391840540E+08
 Ellipticity of electron density:    2.434604
 eta index:    2.213136
 
 ----------------   CP    95,     Type (3,-1)   ----------------
 Position (Bohr):        0.310854730513    0.351219760127   -0.617568338043
 Position (Angstrom):    0.164497239289    0.185857493078   -0.326803090668
 Density of all electrons:  0.1683103910E+01
 Density of Alpha electrons:  0.8415519548E+00
 Density of Beta electrons:  0.8415519548E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.4301738046E+03
 G(r) in X,Y,Z:  0.1848809070E+03  0.1231879382E+03  0.1221049593E+03
 Hamiltonian kinetic energy K(r):  0.1079699834E+03
 Potential energy density V(r): -0.5381437880E+03
 Energy density E(r) or H(r): -0.1079699834E+03
 Laplacian of electron density:  0.1288815285E+04
 Electron localization function (ELF):  0.2526053894E-03
 Localized orbital locator (LOL):  0.1564685680E-01
 Local information entropy:  0.3109937693E-01
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1683103910E+01
 Sign(lambda2)*rho with promolecular approximation: -0.6357649413E+03
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.3558823973E-02
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.1322536109E+03
 Wavefunction value for orbital         1 : -0.2917450503E-05
 Average local ionization energy (ALIE):  0.4191655014E+01
 Delta-g (under promolecular approximation):  0.1372939365E-02
 Delta-g (under Hirshfeld partition):  0.7235069111E-04
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.6267820216E+03
 ESP from electrons: -0.8259042180E+02
 Total ESP:  0.5441915998E+03 a.u. ( 0.1480821E+05 eV, 0.3414857E+06 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.4263256415E-13 -0.1776356839E-14 -0.1865174681E-13
 Norm of gradient is:  0.4656800005E-13
 
 Components of Laplacian in x/y/z are:
  0.1022073084E+04  0.1368595614E+03  0.1298826390E+03
 Total:  0.1288815285E+04
 
 Hessian matrix:
  0.1022073084E+04 -0.7393290168E+03 -0.7141549686E+03
 -0.7393290168E+03  0.1368595614E+03  0.4814819209E+03
 -0.7141549686E+03  0.4814819209E+03  0.1298826390E+03
 Eigenvalues of Hessian: -0.3488448543E+03 -0.2286608470E+03  0.1866320986E+04
 Eigenvectors(columns) of Hessian:
 -0.5110152015E-01  0.6326330797E+00 -0.7727638845E+00
 -0.7412491614E+00  0.4945248144E+00  0.4538665979E+00
  0.6692819401E+00  0.5960038544E+00  0.4436677700E+00
 Determinant of Hessian:  0.1488711244E+09
 Ellipticity of electron density:    0.525599
 eta index:    0.186916
 
 ----------------   CP    96,     Type (3,+1)   ----------------
 Position (Bohr):       -1.630623807506    0.704905531552    4.413333732389
 Position (Angstrom):   -0.862888958488    0.373019943137    2.335435635290
 Density of all electrons:  0.6974202606E-02
 Density of Alpha electrons:  0.3487101303E-02
 Density of Beta electrons:  0.3487101303E-02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.5381787937E-02
 G(r) in X,Y,Z:  0.1698426016E-02  0.1550113515E-02  0.2133248407E-02
 Hamiltonian kinetic energy K(r): -0.9420986379E-03
 Potential energy density V(r): -0.4439689299E-02
 Energy density E(r) or H(r):  0.9420986379E-03
 Laplacian of electron density:  0.2529554630E-01
 Electron localization function (ELF):  0.1804723612E-01
 Localized orbital locator (LOL):  0.1195794241E+00
 Local information entropy:  0.2674944833E-03
 Reduced density gradient (RDG):  0.3757520473E-14
 Reduced density gradient with promolecular approximation:  0.4281823934E+00
 Sign(lambda2)*rho:  0.6974202606E-02
 Sign(lambda2)*rho with promolecular approximation:  0.8928654967E-02
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1633190980E-06
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.4231164119E-03
 Wavefunction value for orbital         1 :  0.3510550872E-04
 Average local ionization energy (ALIE):  0.3716531526E+00
 Delta-g (under promolecular approximation):  0.1392075286E-01
 Delta-g (under Hirshfeld partition):  0.1312372966E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4576458000E+02
 ESP from electrons: -0.4064839754E+02
 Total ESP:  0.5116182458E+01 a.u. ( 0.1392184E+03 eV, 0.3210456E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.2217193443E-16 -0.1713039433E-16  0.1214306433E-16
 Norm of gradient is:  0.3053684819E-16
 
 Components of Laplacian in x/y/z are:
  0.7470442687E-02  0.6540875980E-02  0.1128422763E-01
 Total:  0.2529554630E-01
 
 Hessian matrix:
  0.7470442687E-02 -0.2923380166E-02 -0.3353996082E-03
 -0.2923380166E-02  0.6540875980E-02 -0.1291271660E-01
 -0.3353996082E-03 -0.1291271660E-01  0.1128422763E-01
 Eigenvalues of Hessian: -0.4717018209E-02  0.7792029703E-02  0.2222053481E-01
 Eigenvectors(columns) of Hessian:
  0.1994320465E+00  0.9736699346E+00  0.1104251663E+00
  0.7605311755E+00 -0.8273805901E-01 -0.6440083421E+00
  0.6179151963E+00 -0.2124176832E+00  0.7570069603E+00
 Determinant of Hessian: -0.8167190008E-06
 Ellipticity of electron density:   -1.605365
 eta index:    0.212282
 
 ----------------   CP    97,     Type (3,+1)   ----------------
 Position (Bohr):        0.323608786058   -2.950864838889    2.064596180066
 Position (Angstrom):    0.171246394830   -1.561530425195    1.092537248208
 Density of all electrons:  0.4408347476E-02
 Density of Alpha electrons:  0.2204173738E-02
 Density of Beta electrons:  0.2204173738E-02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.3723389182E-02
 G(r) in X,Y,Z:  0.1533349110E-02  0.1596239355E-02  0.5938007168E-03
 Hamiltonian kinetic energy K(r): -0.1173490704E-02
 Potential energy density V(r): -0.2549898477E-02
 Energy density E(r) or H(r):  0.1173490704E-02
 Laplacian of electron density:  0.1958751954E-01
 Electron localization function (ELF):  0.8239926384E-02
 Localized orbital locator (LOL):  0.8374158277E-01
 Local information entropy:  0.1764082699E-03
 Reduced density gradient (RDG):  0.1154904530E-14
 Reduced density gradient with promolecular approximation:  0.4502909899E+00
 Sign(lambda2)*rho:  0.4408347476E-02
 Sign(lambda2)*rho with promolecular approximation:  0.8683235610E-02
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.4947775495E-06
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.4310728469E-03
 Wavefunction value for orbital         1 :  0.1925485303E-04
 Average local ionization energy (ALIE):  0.4086052304E+00
 Delta-g (under promolecular approximation):  0.1005593371E-01
 Delta-g (under Hirshfeld partition):  0.7225574505E-02
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4963091000E+02
 ESP from electrons: -0.4302131233E+02
 Total ESP:  0.6609597670E+01 a.u. ( 0.1798563E+03 eV, 0.4147589E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.4336808690E-17 -0.2385244779E-17  0.1138412281E-17
 Norm of gradient is:  0.5078708969E-17
 
 Components of Laplacian in x/y/z are:
  0.9383616741E-02  0.9713396480E-02  0.4905063220E-03
 Total:  0.1958751954E-01
 
 Hessian matrix:
  0.9383616741E-02 -0.3121874515E-02  0.3599125892E-02
 -0.3121874515E-02  0.9713396480E-02  0.1710456631E-02
  0.3599125892E-02  0.1710456631E-02  0.4905063220E-03
 Eigenvalues of Hessian: -0.1442511507E-02  0.8203963010E-02  0.1282606804E-01
 Eigenvectors(columns) of Hessian:
 -0.3679895970E+00  0.5716166451E+00 -0.7333744388E+00
 -0.2406838057E+00  0.7032808429E+00  0.6689300126E+00
  0.8981397231E+00  0.4226706367E+00 -0.1212211644E+00
 Determinant of Hessian: -0.1517876787E-06
 Ellipticity of electron density:   -1.175831
 eta index:    0.112467
 
 ----------------   CP    98,     Type (3,+1)   ----------------
 Position (Bohr):        0.296322820461    0.354606613340   -0.665886919255
 Position (Angstrom):    0.156807283659    0.187649738615   -0.352372182708
 Density of all electrons:  0.1539654362E+01
 Density of Alpha electrons:  0.7698271808E+00
 Density of Beta electrons:  0.7698271808E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.4409380632E+03
 G(r) in X,Y,Z:  0.1655199477E+03  0.1089312291E+03  0.1664868864E+03
 Hamiltonian kinetic energy K(r):  0.7648605881E+02
 Potential energy density V(r): -0.5174241220E+03
 Energy density E(r) or H(r): -0.7648605881E+02
 Laplacian of electron density:  0.1457808018E+04
 Electron localization function (ELF):  0.1786687078E-03
 Localized orbital locator (LOL):  0.1319155272E-01
 Local information entropy:  0.2894574140E-01
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho:  0.1539654362E+01
 Sign(lambda2)*rho with promolecular approximation: -0.5816774698E+03
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.3726774271E-01
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.1431269833E+03
 Wavefunction value for orbital         1 : -0.2145702394E-05
 Average local ionization energy (ALIE):  0.4564856303E+01
 Delta-g (under promolecular approximation):  0.1380131745E-02
 Delta-g (under Hirshfeld partition):  0.6861436716E-04
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.6076687403E+03
 ESP from electrons: -0.8256289719E+02
 Total ESP:  0.5251058431E+03 a.u. ( 0.1428886E+05 eV, 0.3295092E+06 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.1243449788E-13 -0.3108624469E-13 -0.5329070518E-14
 Norm of gradient is:  0.3390236480E-13
 
 Components of Laplacian in x/y/z are:
  0.1087497468E+04  0.9158106629E+02  0.2787294830E+03
 Total:  0.1457808018E+04
 
 Hessian matrix:
  0.1087497468E+04 -0.7277895545E+03 -0.6002101923E+00
 -0.7277895545E+03  0.9158106629E+02 -0.1681877722E+02
 -0.6002101923E+00 -0.1681877722E+02  0.2787294830E+03
 Eigenvalues of Hessian: -0.2927017380E+03  0.2790866194E+03  0.1471423136E+04
 Eigenvectors(columns) of Hessian:
  0.4662783371E+00 -0.1779571705E-01 -0.8844590577E+00
  0.8842406050E+00 -0.2059144501E-01  0.4665774801E+00
  0.2651537087E-01  0.9996295838E+00 -0.6134350871E-02
 Determinant of Hessian: -0.1201992884E+09
 Ellipticity of electron density:   -2.048785
 eta index:    0.198924
 
 ----------------   CP    99,     Type (3,+1)   ----------------
 Position (Bohr):        0.380872219928   -0.009637577355   -0.977545045439
 Position (Angstrom):    0.201548899052   -0.005099986305   -0.517294560677
 Density of all electrons:  0.1255976297E+02
 Density of Alpha electrons:  0.6279881485E+01
 Density of Beta electrons:  0.6279881485E+01
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.1918607015E+03
 G(r) in X,Y,Z:  0.7789051677E+02  0.5700722602E+02  0.5696295869E+02
 Hamiltonian kinetic energy K(r):  0.2553495698E+03
 Potential energy density V(r): -0.4472102713E+03
 Energy density E(r) or H(r): -0.2553495698E+03
 Laplacian of electron density: -0.2539554733E+03
 Electron localization function (ELF):  0.5077340847E+00
 Localized orbital locator (LOL):  0.5038672867E+00
 Local information entropy:  0.1406103042E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho:  0.1255976297E+02
 Sign(lambda2)*rho with promolecular approximation: -0.1632360056E+02
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1679271136E+00
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.1926208075E+02
 Wavefunction value for orbital         1 : -0.3101626748E-05
 Average local ionization energy (ALIE):  0.6885954415E+01
 Delta-g (under promolecular approximation):  0.1886168515E-02
 Delta-g (under Hirshfeld partition):  0.3463355904E-02
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.1760694644E+03
 ESP from electrons: -0.7974279516E+02
 Total ESP:  0.9632666923E+02 a.u. ( 0.2621182E+04 eV, 0.6044595E+05 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.2087219286E-13  0.3019806627E-13  0.8881784197E-14
 Norm of gradient is:  0.3776847537E-13
 
 Components of Laplacian in x/y/z are:
  0.7983738799E+02 -0.1667012568E+03 -0.1670916045E+03
 Total: -0.2539554733E+03
 
 Hessian matrix:
  0.7983738799E+02 -0.1036850366E+02 -0.1182524804E+02
 -0.1036850366E+02 -0.1667012568E+03 -0.3773197583E+03
 -0.1182524804E+02 -0.3773197583E+03 -0.1670916045E+03
 Eigenvalues of Hessian: -0.5446106520E+03  0.8022371953E+02  0.2104314592E+03
 Eigenvectors(columns) of Hessian:
 -0.2512410701E-01  0.9996533142E+00 -0.7875959251E-02
 -0.7066765814E+00 -0.2333220659E-01 -0.7071519055E+00
 -0.7070905095E+00 -0.1220080419E-01  0.7070177875E+00
 Determinant of Hessian: -0.9193896114E+07
 Ellipticity of electron density:   -7.788649
 eta index:    2.588067
 
 ----------------   CP   100,     Type (3,-1)   ----------------
 Position (Bohr):        0.468635418715    0.354984438528   -0.713957384257
 Position (Angstrom):    0.247991183806    0.187849675094   -0.377809977304
 Density of all electrons:  0.1704296365E+01
 Density of Alpha electrons:  0.8521481824E+00
 Density of Beta electrons:  0.8521481824E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.4333952147E+03
 G(r) in X,Y,Z:  0.1768968618E+03  0.1292253287E+03  0.1272730242E+03
 Hamiltonian kinetic energy K(r):  0.1112875807E+03
 Potential energy density V(r): -0.5446827953E+03
 Energy density E(r) or H(r): -0.1112875807E+03
 Laplacian of electron density:  0.1288430536E+04
 Electron localization function (ELF):  0.2594617208E-03
 Localized orbital locator (LOL):  0.1585449161E-01
 Local information entropy:  0.3141369266E-01
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1704296365E+01
 Sign(lambda2)*rho with promolecular approximation: -0.6394504290E+03
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.7635381996E-03
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.1108599252E+03
 Wavefunction value for orbital         1 :  0.9279142215E-05
 Average local ionization energy (ALIE):  0.4148233186E+01
 Delta-g (under promolecular approximation):  0.1475406341E-02
 Delta-g (under Hirshfeld partition):  0.7500732706E-04
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.6280431299E+03
 ESP from electrons: -0.8260173715E+02
 Total ESP:  0.5454413927E+03 a.u. ( 0.1484222E+05 eV, 0.3422699E+06 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.1065814104E-13 -0.7105427358E-14  0.1776356839E-14
 Norm of gradient is:  0.1293207299E-13
 
 Components of Laplacian in x/y/z are:
  0.8940879011E+03  0.2136079919E+03  0.1807346430E+03
 Total:  0.1288430536E+04
 
 Hessian matrix:
  0.8940879011E+03  0.7690844903E+03 -0.7484787656E+03
  0.7690844903E+03  0.2136079919E+03 -0.5659860310E+03
 -0.7484787656E+03 -0.5659860310E+03  0.1807346430E+03
 Eigenvalues of Hessian: -0.3690574556E+03 -0.2464195126E+03  0.1903907504E+04
 Eigenvectors(columns) of Hessian:
 -0.4093896143E-02  0.6852695762E+00 -0.7282780018E+00
 -0.6939741470E+00 -0.5263073374E+00 -0.4913252180E+00
 -0.7199882800E+00  0.5033946707E+00  0.4777140172E+00
 Determinant of Hessian:  0.1731469808E+09
 Ellipticity of electron density:    0.497680
 eta index:    0.193842
 
 ----------------   CP   101,     Type (3,-1)   ----------------
 Position (Bohr):        0.776529292030    0.289255345357   -0.456143397732
 Position (Angstrom):    0.410921604941    0.153067336895   -0.241380690984
 Density of all electrons:  0.1430963309E+02
 Density of Alpha electrons:  0.7154816545E+01
 Density of Beta electrons:  0.7154816545E+01
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.1751164843E+03
 G(r) in X,Y,Z:  0.1530855815E+02  0.1140684022E+03  0.4573952400E+02
 Hamiltonian kinetic energy K(r):  0.3235124510E+03
 Potential energy density V(r): -0.4986289353E+03
 Energy density E(r) or H(r): -0.3235124510E+03
 Laplacian of electron density: -0.5935838668E+03
 Electron localization function (ELF):  0.6566402218E+00
 Localized orbital locator (LOL):  0.5803423141E+00
 Local information entropy:  0.1534380434E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1430963309E+02
 Sign(lambda2)*rho with promolecular approximation: -0.1659771730E+02
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1691521910E+00
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.4993734508E+02
 Wavefunction value for orbital         1 : -0.4347257738E-05
 Average local ionization energy (ALIE):  0.6019276371E+01
 Delta-g (under promolecular approximation):  0.1758907829E-02
 Delta-g (under Hirshfeld partition):  0.3741590272E-02
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.1781681195E+03
 ESP from electrons: -0.8011409067E+02
 Total ESP:  0.9805402888E+02 a.u. ( 0.2668186E+04 eV, 0.6152988E+05 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.1054711873E-13  0.5329070518E-14 -0.1776356839E-14
 Norm of gradient is:  0.1194973430E-13
 
 Components of Laplacian in x/y/z are:
 -0.4887671559E+03  0.1862737305E+03 -0.2910904414E+03
 Total: -0.5935838668E+03
 
 Hessian matrix:
 -0.4887671559E+03  0.2322931470E+02 -0.1515012825E+03
  0.2322931470E+02  0.1862737305E+03  0.9909608079E+01
 -0.1515012825E+03  0.9909608079E+01 -0.2910904414E+03
 Eigenvalues of Hessian: -0.5716543338E+03 -0.2090514027E+03  0.1871218697E+03
 Eigenvectors(columns) of Hessian:
  0.8789356405E+00 -0.4758671812E+00  0.3197758202E-01
 -0.3315872561E-01  0.5915625268E-02  0.9994325912E+00
  0.4757863373E+00  0.8794972605E+00  0.1057969541E-01
 Determinant of Hessian:  0.2236202530E+08
 Ellipticity of electron density:    1.734516
 eta index:    3.054984
 
 ----------------   CP   102,     Type (3,-3)   ----------------
 Corresponding nucleus:     2(N )
 Position (Bohr):        3.072891289746   -3.513962153098   -0.766099727105
 Position (Angstrom):    1.626104042116   -1.859508691395   -0.405402516863
 Density of all electrons:  0.1831401128E+03
 Density of Alpha electrons:  0.9157005641E+02
 Density of Beta electrons:  0.9157005641E+02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.1863933766E+02
 G(r) in X,Y,Z:  0.5822373431E+01  0.7141253501E+01  0.5675710730E+01
 Hamiltonian kinetic energy K(r):  0.1450304368E+06
 Potential energy density V(r): -0.1450490761E+06
 Energy density E(r) or H(r): -0.1450304368E+06
 Laplacian of electron density: -0.5800471897E+06
 Electron localization function (ELF):  0.9999987919E+00
 Localized orbital locator (LOL):  0.9989020590E+00
 Local information entropy:  0.2721550740E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1831401128E+03
 Sign(lambda2)*rho with promolecular approximation: -0.1931252151E+03
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.6463021143E-03
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.9757704977E+04
 Wavefunction value for orbital         1 : -0.7251516352E-05
 Average local ionization energy (ALIE):  0.1328212396E+02
 Delta-g (under promolecular approximation):  0.5569738322E-01
 Delta-g (under Hirshfeld partition):  0.7460501777E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.3742695179E+06
 ESP from electrons: -0.5919882193E+02
 Total ESP:  0.3742103191E+06 a.u. ( 0.1018278E+08 eV, 0.2348207E+09 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.2600231142E-10  0.3838662721E-10  0.7491784970E-12
 Norm of gradient is:  0.4637040668E-10
 
 Components of Laplacian in x/y/z are:
 -0.1933505160E+06 -0.1933452451E+06 -0.1933514286E+06
 Total: -0.5800471897E+06
 
 Hessian matrix:
 -0.1933505160E+06 -0.2496794974E+01 -0.2158415776E+00
 -0.2496794974E+01 -0.1933452451E+06  0.1288918268E+01
 -0.2158415776E+00  0.1288918268E+01 -0.1933514286E+06
 Eigenvalues of Hessian: -0.1933518613E+06 -0.1933512990E+06 -0.1933440294E+06
 Eigenvectors(columns) of Hessian:
 -0.5223836619E+00 -0.7735005231E+00  0.3589042358E+00
 -0.3487275971E+00 -0.1902999972E+00 -0.9177009176E+00
  0.7781416149E+00 -0.6045517776E+00 -0.1703313694E+00
 Determinant of Hessian: -0.7228134356E+16
 Ellipticity of electron density:    0.000003
 eta index:   -1.000041
 
 ----------------   CP   103,     Type (3,-3)   ----------------
 Corresponding nucleus:     3(C )
 Position (Bohr):        2.643160634122   -5.469807747751    0.746438519151
 Position (Angstrom):    1.398700372333   -2.894497608131    0.394998253675
 Density of all electrons:  0.1124118619E+03
 Density of Alpha electrons:  0.5620593097E+02
 Density of Beta electrons:  0.5620593097E+02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.5750114052E+01
 G(r) in X,Y,Z:  0.1793649188E+01  0.2011802399E+01  0.1944662466E+01
 Hamiltonian kinetic energy K(r):  0.6474835300E+05
 Potential energy density V(r): -0.6475410312E+05
 Energy density E(r) or H(r): -0.6474835300E+05
 Laplacian of electron density: -0.2589704116E+06
 Electron localization function (ELF):  0.9999994150E+00
 Localized orbital locator (LOL):  0.9992357146E+00
 Local information entropy:  0.3658400876E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1124118619E+03
 Sign(lambda2)*rho with promolecular approximation: -0.1213903191E+03
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1121258068E-03
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.3367001151E+04
 Wavefunction value for orbital         1 : -0.4356252046E-04
 Average local ionization energy (ALIE):  0.9517399985E+01
 Delta-g (under promolecular approximation):  0.5137155344E-01
 Delta-g (under Hirshfeld partition):  0.6140295761E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.1059617060E+07
 ESP from electrons: -0.5174126028E+02
 Total ESP:  0.1059565318E+07 a.u. ( 0.2883224E+08 eV, 0.6648878E+09 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.6168843214E-11 -0.3206013233E-10 -0.2886579864E-14
 Norm of gradient is:  0.3264822690E-10
 
 Components of Laplacian in x/y/z are:
 -0.8632377307E+05 -0.8632329152E+05 -0.8632334698E+05
 Total: -0.2589704116E+06
 
 Hessian matrix:
 -0.8632377307E+05 -0.4627509211E+00 -0.7608976583E+00
 -0.4627509211E+00 -0.8632329152E+05  0.2172113439E+00
 -0.7608976583E+00  0.2172113439E+00 -0.8632334698E+05
 Eigenvalues of Hessian: -0.8632440710E+05 -0.8632350404E+05 -0.8632250042E+05
 Eigenvectors(columns) of Hessian:
 -0.8120667026E+00 -0.1234004041E+00  0.5703683116E+00
 -0.2326453001E+00 -0.8279010725E+00 -0.5103488792E+00
 -0.5351857948E+00  0.5471308385E+00 -0.6436023700E+00
 Determinant of Hessian: -0.6432601930E+15
 Ellipticity of electron density:    0.000010
 eta index:   -1.000022
 
 ----------------   CP   104,     Type (3,-3)   ----------------
 Corresponding nucleus:     4(C )
 Position (Bohr):        3.595582298560   -7.865419326346    0.371897928053
 Position (Angstrom):    1.902700212324   -4.162200661699    0.196799908308
 Density of all electrons:  0.1124380540E+03
 Density of Alpha electrons:  0.5621902698E+02
 Density of Beta electrons:  0.5621902698E+02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.5778242898E+01
 G(r) in X,Y,Z:  0.1783335218E+01  0.2057647545E+01  0.1937260135E+01
 Hamiltonian kinetic energy K(r):  0.6476411023E+05
 Potential energy density V(r): -0.6476988848E+05
 Energy density E(r) or H(r): -0.6476411023E+05
 Laplacian of electron density: -0.2590333280E+06
 Electron localization function (ELF):  0.9999994097E+00
 Localized orbital locator (LOL):  0.9992322766E+00
 Local information entropy:  0.3658304189E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1124380540E+03
 Sign(lambda2)*rho with promolecular approximation: -0.1213962040E+03
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.3749114752E-04
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.2381299539E+04
 Wavefunction value for orbital         1 :  0.1071048166E-04
 Average local ionization energy (ALIE):  0.9497446436E+01
 Delta-g (under promolecular approximation):  0.3747964002E-01
 Delta-g (under Hirshfeld partition):  0.4631984143E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4676523931E+07
 ESP from electrons: -0.4641549708E+02
 Total ESP:  0.4676477516E+07 a.u. ( 0.1272534E+09 eV, 0.2934536E+10 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.1847409725E-10  0.6507017147E-11  0.9512390875E-12
 Norm of gradient is:  0.1960965061E-10
 
 Components of Laplacian in x/y/z are:
 -0.8634485016E+05 -0.8634407745E+05 -0.8634440035E+05
 Total: -0.2590333280E+06
 
 Hessian matrix:
 -0.8634485016E+05 -0.2319427470E+00 -0.5124930176E+00
 -0.2319427470E+00 -0.8634407745E+05 -0.1589322597E+00
 -0.5124930176E+00 -0.1589322597E+00 -0.8634440035E+05
 Eigenvalues of Hessian: -0.8634525219E+05 -0.8634406623E+05 -0.8634400953E+05
 Eigenvectors(columns) of Hessian:
 -0.8135580189E+00 -0.5656043654E+00  0.1349631495E+00
 -0.2327247306E+00  0.1040135063E+00 -0.9669645238E+00
 -0.5328813654E+00  0.8180910050E+00  0.2162511457E+00
 Determinant of Hessian: -0.6437291437E+15
 Ellipticity of electron density:    0.000014
 eta index:   -1.000014
 
 ----------------   CP   105,     Type (3,-3)   ----------------
 Corresponding nucleus:     5(C )
 Position (Bohr):        5.118512695743   -8.269065028904   -1.774263698007
 Position (Angstrom):    2.708600272305   -4.375800768771   -0.938899915118
 Density of all electrons:  0.1124494665E+03
 Density of Alpha electrons:  0.5622473326E+02
 Density of Beta electrons:  0.5622473326E+02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.5748373130E+01
 G(r) in X,Y,Z:  0.1744977573E+01  0.2058805651E+01  0.1944589906E+01
 Hamiltonian kinetic energy K(r):  0.6477146166E+05
 Potential energy density V(r): -0.6477721003E+05
 Energy density E(r) or H(r): -0.6477146166E+05
 Laplacian of electron density: -0.2590628531E+06
 Electron localization function (ELF):  0.9999994160E+00
 Localized orbital locator (LOL):  0.9992363713E+00
 Local information entropy:  0.3658261990E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1124494665E+03
 Sign(lambda2)*rho with promolecular approximation: -0.1213964733E+03
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.2835114323E-06
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.2085418799E+04
 Wavefunction value for orbital         1 : -0.1008988803E-04
 Average local ionization energy (ALIE):  0.9505928676E+01
 Delta-g (under promolecular approximation):  0.3624926101E-01
 Delta-g (under Hirshfeld partition):  0.4451655749E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.3989245150E+07
 ESP from electrons: -0.4482089263E+02
 Total ESP:  0.3989200329E+07 a.u. ( 0.1085517E+09 eV, 0.2503263E+10 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.2914726793E-10  0.2462630100E-10 -0.6999373303E-11
 Norm of gradient is:  0.3879444748E-10
 
 Components of Laplacian in x/y/z are:
 -0.8635479152E+05 -0.8635384109E+05 -0.8635422052E+05
 Total: -0.2590628531E+06
 
 Hessian matrix:
 -0.8635479152E+05 -0.2848449584E+00 -0.6530130059E+00
 -0.2848449584E+00 -0.8635384109E+05 -0.1872144002E+00
 -0.6530130059E+00 -0.1872144002E+00 -0.8635422052E+05
 Eigenvalues of Hessian: -0.8635529844E+05 -0.8635379334E+05 -0.8635376135E+05
 Eigenvectors(columns) of Hessian:
 -0.8147849616E+00 -0.5516350109E+00  0.1783936127E+00
 -0.2277430222E+00  0.2156962084E-01 -0.9734823405E+00
 -0.5331590590E+00  0.8338066719E+00  0.1432056273E+00
 Determinant of Hessian: -0.6439492897E+15
 Ellipticity of electron density:    0.000017
 eta index:   -1.000018
 
 ----------------   CP   106,     Type (3,-3)   ----------------
 Corresponding nucleus:    16(H )
 Position (Bohr):        5.850854638684  -10.075923523537   -2.151413851508
 Position (Angstrom):    3.096138939098   -5.331949107457   -1.138479181439
 Density of all electrons:  0.3928450825E+00
 Density of Alpha electrons:  0.1964225413E+00
 Density of Beta electrons:  0.1964225413E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.7885036017E-02
 G(r) in X,Y,Z:  0.3055609253E-02  0.1875292357E-02  0.2954134407E-02
 Hamiltonian kinetic energy K(r):  0.3196098140E+01
 Potential energy density V(r): -0.3203983176E+01
 Energy density E(r) or H(r): -0.3196098140E+01
 Laplacian of electron density: -0.1275285242E+02
 Electron localization function (ELF):  0.9998297478E+00
 Localized orbital locator (LOL):  0.9871350102E+00
 Local information entropy:  0.9329701781E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.3928450825E+00
 Sign(lambda2)*rho with promolecular approximation: -0.2852492967E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.2218771544E-06
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.8565182623E-01
 Wavefunction value for orbital         1 : -0.5443922813E-05
 Average local ionization energy (ALIE):  0.4608194632E+00
 Delta-g (under promolecular approximation):  0.1215841884E+00
 Delta-g (under Hirshfeld partition):  0.2461131689E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4683976168E+02
 ESP from electrons: -0.2825238505E+02
 Total ESP:  0.1858737663E+02 a.u. ( 0.5057882E+03 eV, 0.1166376E+05 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.1864827737E-14  0.3076315244E-14  0.4996003611E-15
 Norm of gradient is:  0.3631927655E-14
 
 Components of Laplacian in x/y/z are:
 -0.4372005479E+01 -0.3946207911E+01 -0.4434639027E+01
 Total: -0.1275285242E+02
 
 Hessian matrix:
 -0.4372005479E+01 -0.2042010342E+00 -0.3993498501E-01
 -0.2042010342E+00 -0.3946207911E+01  0.1057234564E+00
 -0.3993498501E-01  0.1057234564E+00 -0.4434639027E+01
 Eigenvalues of Hessian: -0.4457720049E+01 -0.4452586001E+01 -0.3842546367E+01
 Eigenvectors(columns) of Hessian:
 -0.4461885420E+00 -0.8167923074E+00 -0.3657404975E+00
 -0.3484956503E+00 -0.2178407470E+00  0.9116447722E+00
  0.8242976202E+00 -0.5342244243E+00  0.1874505211E+00
 Determinant of Hessian: -0.7626832772E+02
 Ellipticity of electron density:    0.001153
 eta index:   -1.160095
 
 ----------------   CP   107,     Type (3,-3)   ----------------
 Corresponding nucleus:     6(C )
 Position (Bohr):        5.623447754448   -6.289195872618   -3.344438865553
 Position (Angstrom):    2.975800398357   -3.328099130695   -1.769800830909
 Density of all electrons:  0.1124158044E+03
 Density of Alpha electrons:  0.5620790219E+02
 Density of Beta electrons:  0.5620790219E+02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.5799667514E+01
 G(r) in X,Y,Z:  0.1801847099E+01  0.2035777818E+01  0.1962042596E+01
 Hamiltonian kinetic energy K(r):  0.6474993049E+05
 Potential energy density V(r): -0.6475573016E+05
 Energy density E(r) or H(r): -0.6474993049E+05
 Laplacian of electron density: -0.2589765233E+06
 Electron localization function (ELF):  0.9999994049E+00
 Localized orbital locator (LOL):  0.9992291782E+00
 Local information entropy:  0.3658386337E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1124158044E+03
 Sign(lambda2)*rho with promolecular approximation: -0.1213949813E+03
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1186223967E-05
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.2270837101E+04
 Wavefunction value for orbital         1 : -0.2045858356E-04
 Average local ionization energy (ALIE):  0.9505137416E+01
 Delta-g (under promolecular approximation):  0.3689187271E-01
 Delta-g (under Hirshfeld partition):  0.4512578199E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.2504126063E+07
 ESP from electrons: -0.4722583456E+02
 Total ESP:  0.2504078838E+07 a.u. ( 0.6813945E+08 eV, 0.1571335E+10 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.2003452959E-11  0.3752276267E-10  0.1512504011E-10
 Norm of gradient is:  0.4050602894E-10
 
 Components of Laplacian in x/y/z are:
 -0.8632583970E+05 -0.8632529721E+05 -0.8632538639E+05
 Total: -0.2589765233E+06
 
 Hessian matrix:
 -0.8632583970E+05 -0.9469318580E-01 -0.4750728792E+00
 -0.9469318580E-01 -0.8632529721E+05 -0.2220313468E+00
 -0.4750728792E+00 -0.2220313468E+00 -0.8632538639E+05
 Eigenvalues of Hessian: -0.8632618472E+05 -0.8632532706E+05 -0.8632501153E+05
 Eigenvectors(columns) of Hessian:
 -0.8094219293E+00  0.4344126907E+00 -0.3951224550E+00
 -0.2223350544E+00 -0.8494794413E+00 -0.4784890828E+00
 -0.5435101323E+00 -0.2994499840E+00  0.7841724576E+00
 Determinant of Hessian: -0.6433057373E+15
 Ellipticity of electron density:    0.000010
 eta index:   -1.000014
 
 ----------------   CP   108,     Type (3,-3)   ----------------
 Corresponding nucleus:    17(H )
 Position (Bohr):        6.746180313950   -6.571178679304   -4.952247567759
 Position (Angstrom):    3.569924882785   -3.477318005859   -2.620616555608
 Density of all electrons:  0.3967195607E+00
 Density of Alpha electrons:  0.1983597803E+00
 Density of Beta electrons:  0.1983597803E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.8655835411E-02
 G(r) in X,Y,Z:  0.3163971390E-02  0.2997917934E-02  0.2493946086E-02
 Hamiltonian kinetic energy K(r):  0.3240349990E+01
 Potential energy density V(r): -0.3249005825E+01
 Energy density E(r) or H(r): -0.3240349990E+01
 Laplacian of electron density: -0.1292677662E+02
 Electron localization function (ELF):  0.9998014886E+00
 Localized orbital locator (LOL):  0.9861207980E+00
 Local information entropy:  0.9407610035E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.3967195607E+00
 Sign(lambda2)*rho with promolecular approximation: -0.2863331066E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.8468701257E-06
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.9667769696E-01
 Wavefunction value for orbital         1 :  0.4367773294E-06
 Average local ionization energy (ALIE):  0.4669670319E+00
 Delta-g (under promolecular approximation):  0.1230759500E+00
 Delta-g (under Hirshfeld partition):  0.2496368118E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.5070540467E+02
 ESP from electrons: -0.3149861626E+02
 Total ESP:  0.1920678841E+02 a.u. ( 0.5226433E+03 eV, 0.1205245E+05 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.1550842788E-14  0.3321995456E-15  0.4198030812E-15
 Norm of gradient is:  0.1640641495E-14
 
 Components of Laplacian in x/y/z are:
 -0.4316311715E+01 -0.4500108030E+01 -0.4110356873E+01
 Total: -0.1292677662E+02
 
 Hessian matrix:
 -0.4316311715E+01 -0.5106133574E-01 -0.2777634787E+00
 -0.5106133574E-01 -0.4500108030E+01  0.7551815888E-01
 -0.2777634787E+00  0.7551815888E-01 -0.4110356873E+01
 Eigenvalues of Hessian: -0.4514331158E+01 -0.4509268286E+01 -0.3903177174E+01
 Eigenvectors(columns) of Hessian:
  0.1175911777E+00 -0.8171257491E+00 -0.5643383959E+00
 -0.9584170096E+00 -0.2421778764E+00  0.1509526809E+00
  0.2600175967E+00 -0.5231208142E+00  0.8116251987E+00
 Determinant of Hessian: -0.7945436386E+02
 Ellipticity of electron density:    0.001123
 eta index:   -1.156579
 
 ----------------   CP   109,     Type (3,-3)   ----------------
 Corresponding nucleus:     7(C )
 Position (Bohr):        4.613574630504   -3.850127201759   -2.853860739946
 Position (Angstrom):    2.441398555263   -2.037399574249   -1.510198066670
 Density of all electrons:  0.1123867528E+03
 Density of Alpha electrons:  0.5619337641E+02
 Density of Beta electrons:  0.5619337641E+02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.5760889011E+01
 G(r) in X,Y,Z:  0.1795735842E+01  0.2098320500E+01  0.1866832670E+01
 Hamiltonian kinetic energy K(r):  0.6473308797E+05
 Potential energy density V(r): -0.6473884886E+05
 Energy density E(r) or H(r): -0.6473308797E+05
 Laplacian of electron density: -0.2589093083E+06
 Electron localization function (ELF):  0.9999994123E+00
 Localized orbital locator (LOL):  0.9992339986E+00
 Local information entropy:  0.3658493359E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1123867528E+03
 Sign(lambda2)*rho with promolecular approximation: -0.1213916627E+03
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.8632710075E-06
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.3097177467E+04
 Wavefunction value for orbital         1 : -0.1367905087E-04
 Average local ionization energy (ALIE):  0.9542744651E+01
 Delta-g (under promolecular approximation):  0.4540728978E-01
 Delta-g (under Hirshfeld partition):  0.5405706151E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.1287855390E+07
 ESP from electrons: -0.5324988881E+02
 Total ESP:  0.1287802140E+07 a.u. ( 0.3504288E+08 eV, 0.8081087E+09 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.2073385907E-10 -0.4939604281E-11  0.3850253449E-11
 Norm of gradient is:  0.2165911019E-10
 
 Components of Laplacian in x/y/z are:
 -0.8630341509E+05 -0.8630259037E+05 -0.8630330286E+05
 Total: -0.2589093083E+06
 
 Hessian matrix:
 -0.8630341509E+05 -0.1786559108E+00 -0.1599143206E+00
 -0.1786559108E+00 -0.8630259037E+05 -0.1334219220E+00
 -0.1599143206E+00 -0.1334219220E+00 -0.8630330286E+05
 Eigenvalues of Hessian: -0.8630357873E+05 -0.8630318954E+05 -0.8630254005E+05
 Eigenvectors(columns) of Hessian:
  0.7940117364E+00  0.5822672404E+00  0.1746717583E+00
  0.2200253890E+00 -0.7413062688E-02 -0.9754659782E+00
  0.5666870306E+00 -0.8129636568E+00  0.1339996348E+00
 Determinant of Hessian: -0.6428049750E+15
 Ellipticity of electron density:    0.000005
 eta index:   -1.000012
 
 ----------------   CP   110,     Type (3,+1)   ----------------
 Position (Bohr):        0.352500184649    0.350006694180   -0.754765541936
 Position (Angstrom):    0.186535064555    0.185215566223   -0.399404724367
 Density of all electrons:  0.1527048632E+01
 Density of Alpha electrons:  0.7635243161E+00
 Density of Beta electrons:  0.7635243161E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.4422810197E+03
 G(r) in X,Y,Z:  0.1400634277E+03  0.1263096922E+03  0.1759078998E+03
 Hamiltonian kinetic energy K(r):  0.7103466920E+02
 Potential energy density V(r): -0.5133156889E+03
 Energy density E(r) or H(r): -0.7103466920E+02
 Laplacian of electron density:  0.1484985402E+04
 Electron localization function (ELF):  0.1727859400E-03
 Localized orbital locator (LOL):  0.1297536918E-01
 Local information entropy:  0.2875423717E-01
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho:  0.1527048632E+01
 Sign(lambda2)*rho with promolecular approximation: -0.5705973222E+03
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.3208741610E-02
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.1307832987E+03
 Wavefunction value for orbital         1 :  0.3313397374E-05
 Average local ionization energy (ALIE):  0.4636247893E+01
 Delta-g (under promolecular approximation):  0.1438164687E-02
 Delta-g (under Hirshfeld partition):  0.6946451463E-04
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.6035465127E+03
 ESP from electrons: -0.8256066089E+02
 Total ESP:  0.5209858518E+03 a.u. ( 0.1417675E+05 eV, 0.3269238E+06 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.1154631946E-13 -0.8881784197E-14 -0.8881784197E-14
 Norm of gradient is:  0.1706135030E-13
 
 Components of Laplacian in x/y/z are:
  0.2483757186E+03  0.1741433799E+03  0.1062466304E+04
 Total:  0.1484985402E+04
 
 Hessian matrix:
  0.2483757186E+03 -0.4417694907E+03  0.2701959041E+03
 -0.4417694907E+03  0.1741433799E+03 -0.4305317089E+03
  0.2701959041E+03 -0.4305317089E+03  0.1062466304E+04
 Eigenvalues of Hessian: -0.2492460276E+03  0.3370235170E+03  0.1397207913E+04
 Eigenvectors(columns) of Hessian:
  0.6191299818E+00 -0.6987996721E+00  0.3582695688E+00
  0.7749785996E+00  0.4700230936E+00 -0.4224765811E+00
  0.1268315253E+00  0.5392191667E+00  0.8325601807E+00
 Determinant of Hessian: -0.1173679416E+09
 Ellipticity of electron density:   -1.739551
 eta index:    0.178389
 
 ----------------   CP   111,     Type (3,-3)   ----------------
 Corresponding nucleus:     8(C )
 Position (Bohr):        5.103959103511   -1.708308012549   -4.394368127235
 Position (Angstrom):    2.700898842959   -0.903997669444   -2.325399469251
 Density of all electrons:  0.1123994349E+03
 Density of Alpha electrons:  0.5619971743E+02
 Density of Beta electrons:  0.5619971743E+02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.5744508179E+01
 G(r) in X,Y,Z:  0.1833701377E+01  0.1949774207E+01  0.1961032595E+01
 Hamiltonian kinetic energy K(r):  0.6474150924E+05
 Potential energy density V(r): -0.6474725375E+05
 Energy density E(r) or H(r): -0.6474150924E+05
 Laplacian of electron density: -0.2589430589E+06
 Electron localization function (ELF):  0.9999994159E+00
 Localized orbital locator (LOL):  0.9992363185E+00
 Local information entropy:  0.3658446673E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1123994349E+03
 Sign(lambda2)*rho with promolecular approximation: -0.1213911082E+03
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.5968284927E-05
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.2965612751E+04
 Wavefunction value for orbital         1 :  0.1524055772E-04
 Average local ionization energy (ALIE):  0.9547038608E+01
 Delta-g (under promolecular approximation):  0.4526591216E-01
 Delta-g (under Hirshfeld partition):  0.5389931019E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.1190287892E+07
 ESP from electrons: -0.5298178361E+02
 Total ESP:  0.1190234910E+07 a.u. ( 0.3238794E+08 eV, 0.7468843E+09 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.1652386561E-10 -0.4822808819E-12  0.3785793901E-10
 Norm of gradient is:  0.4130973584E-10
 
 Components of Laplacian in x/y/z are:
 -0.8631454037E+05 -0.8631434256E+05 -0.8631417598E+05
 Total: -0.2589430589E+06
 
 Hessian matrix:
 -0.8631454037E+05  0.3982417717E-01 -0.4934589024E+00
  0.3982417717E-01 -0.8631434256E+05 -0.2884161952E+00
 -0.4934589024E+00 -0.2884161952E+00 -0.8631417598E+05
 Eigenvalues of Hessian: -0.8631491822E+05 -0.8631441951E+05 -0.8631372118E+05
 Eigenvectors(columns) of Hessian:
 -0.7592071039E+00 -0.4301659899E+00 -0.4884278806E+00
 -0.2487993721E+00  0.8852676231E+00 -0.3929377914E+00
 -0.6014178629E+00  0.1768006126E+00  0.7791264965E+00
 Determinant of Hessian: -0.6430563898E+15
 Ellipticity of electron density:    0.000006
 eta index:   -1.000014
 
 ----------------   CP   112,     Type (3,-3)   ----------------
 Corresponding nucleus:     9(C )
 Position (Bohr):        6.786762293895   -1.740817573838   -6.485917042226
 Position (Angstrom):    3.591399941745   -0.921200988414   -3.432199490553
 Density of all electrons:  0.1124144246E+03
 Density of Alpha electrons:  0.5620721231E+02
 Density of Beta electrons:  0.5620721231E+02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.5802364940E+01
 G(r) in X,Y,Z:  0.1821718664E+01  0.2075030786E+01  0.1905615490E+01
 Hamiltonian kinetic energy K(r):  0.6474903328E+05
 Potential energy density V(r): -0.6475483564E+05
 Energy density E(r) or H(r): -0.6474903328E+05
 Laplacian of electron density: -0.2589729237E+06
 Electron localization function (ELF):  0.9999994043E+00
 Localized orbital locator (LOL):  0.9992288042E+00
 Local information entropy:  0.3658391426E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1124144246E+03
 Sign(lambda2)*rho with promolecular approximation: -0.1213953638E+03
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.3998831179E-06
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.2158478847E+04
 Wavefunction value for orbital         1 : -0.9810805179E-05
 Average local ionization energy (ALIE):  0.9509953242E+01
 Delta-g (under promolecular approximation):  0.3689901878E-01
 Delta-g (under Hirshfeld partition):  0.4513079842E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.2839038035E+07
 ESP from electrons: -0.4678760163E+02
 Total ESP:  0.2838991247E+07 a.u. ( 0.7725288E+08 eV, 0.1781495E+10 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.3597855347E-10  0.8152256648E-11  0.6310507672E-12
 Norm of gradient is:  0.3689598655E-10
 
 Components of Laplacian in x/y/z are:
 -0.8632461717E+05 -0.8632388321E+05 -0.8632442327E+05
 Total: -0.2589729237E+06
 
 Hessian matrix:
 -0.8632461717E+05 -0.1851736309E+00 -0.3930728279E+00
 -0.1851736309E+00 -0.8632388321E+05 -0.1902668675E+00
 -0.3930728279E+00 -0.1902668675E+00 -0.8632442327E+05
 Eigenvalues of Hessian: -0.8632498783E+05 -0.8632411931E+05 -0.8632381653E+05
 Eigenvectors(columns) of Hessian:
  0.7598836711E+00  0.6407542968E+00  0.1095935103E+00
  0.2319824599E+00 -0.1098038233E+00 -0.9665025911E+00
  0.6072569017E+00 -0.7598533092E+00  0.2320818903E+00
 Determinant of Hessian: -0.6432789127E+15
 Ellipticity of electron density:    0.000010
 eta index:   -1.000014
 
 ----------------   CP   113,     Type (3,-3)   ----------------
 Corresponding nucleus:    19(H )
 Position (Bohr):        8.502270313863    0.374567227274   -9.385707252145
 Position (Angstrom):    4.499207691033    0.198212440625   -4.966702386042
 Density of all electrons:  0.3927677185E+00
 Density of Alpha electrons:  0.1963838592E+00
 Density of Beta electrons:  0.1963838592E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.7875114356E-02
 G(r) in X,Y,Z:  0.2696778826E-02  0.2842827014E-02  0.2335508516E-02
 Hamiltonian kinetic energy K(r):  0.3195177323E+01
 Potential energy density V(r): -0.3203052437E+01
 Energy density E(r) or H(r): -0.3195177323E+01
 Laplacian of electron density: -0.1274920883E+02
 Electron localization function (ELF):  0.9998300639E+00
 Localized orbital locator (LOL):  0.9871468259E+00
 Local information entropy:  0.9328144734E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.3927677185E+00
 Sign(lambda2)*rho with promolecular approximation: -0.2852307043E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.4733403946E-06
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.8007708438E-01
 Wavefunction value for orbital         1 :  0.2348403447E-05
 Average local ionization energy (ALIE):  0.4684394045E+00
 Delta-g (under promolecular approximation):  0.1215744327E+00
 Delta-g (under Hirshfeld partition):  0.2460978995E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4618338646E+02
 ESP from electrons: -0.2761504190E+02
 Total ESP:  0.1856834456E+02 a.u. ( 0.5052704E+03 eV, 0.1165182E+05 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.1816255479E-14 -0.9801187639E-16 -0.3013214678E-14
 Norm of gradient is:  0.3519638190E-14
 
 Components of Laplacian in x/y/z are:
 -0.4211779644E+01 -0.4456264300E+01 -0.4081164891E+01
 Total: -0.1274920883E+02
 
 Hessian matrix:
 -0.4211779644E+01 -0.3302328134E-02 -0.2981578561E+00
 -0.3302328134E-02 -0.4456264300E+01  0.5810712338E-02
 -0.2981578561E+00  0.5810712338E-02 -0.4081164891E+01
 Eigenvalues of Hessian: -0.4456570057E+01 -0.4451463682E+01 -0.3841175097E+01
 Eigenvectors(columns) of Hessian:
  0.1605676385E+00 -0.7624063617E+00 -0.6268608882E+00
 -0.9766629320E+00 -0.2145098751E+00  0.1072523891E-01
  0.1426448412E+00 -0.6105096667E+00  0.7790573767E+00
 Determinant of Hessian: -0.7620222932E+02
 Ellipticity of electron density:    0.001147
 eta index:   -1.160210
 
 ----------------   CP   114,     Type (3,-3)   ----------------
 Corresponding nucleus:    18(H )
 Position (Bohr):        7.685963520271   -3.434169312814   -6.984660913644
 Position (Angstrom):    4.067236738759   -1.817284138723   -3.696123381385
 Density of all electrons:  0.3962144940E+00
 Density of Alpha electrons:  0.1981072470E+00
 Density of Beta electrons:  0.1981072470E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.8616745488E-02
 G(r) in X,Y,Z:  0.3143189210E-02  0.2335908306E-02  0.3137647972E-02
 Hamiltonian kinetic energy K(r):  0.3234355822E+01
 Potential energy density V(r): -0.3242972568E+01
 Energy density E(r) or H(r): -0.3234355822E+01
 Laplacian of electron density: -0.1290295631E+02
 Electron localization function (ELF):  0.9998024381E+00
 Localized orbital locator (LOL):  0.9861536491E+00
 Local information entropy:  0.9397461922E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.3962144940E+00
 Sign(lambda2)*rho with promolecular approximation: -0.2862396055E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.2648792474E-06
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.9386798388E-01
 Wavefunction value for orbital         1 : -0.2232034685E-05
 Average local ionization energy (ALIE):  0.4711371580E+00
 Delta-g (under promolecular approximation):  0.1231005136E+00
 Delta-g (under Hirshfeld partition):  0.2497083238E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.5034847032E+02
 ESP from electrons: -0.3121505467E+02
 Total ESP:  0.1913341565E+02 a.u. ( 0.5206467E+03 eV, 0.1200641E+05 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.3226585665E-15 -0.9506284648E-15  0.1495331636E-14
 Norm of gradient is:  0.1801060724E-14
 
 Components of Laplacian in x/y/z are:
 -0.4376650883E+01 -0.4061979542E+01 -0.4464325882E+01
 Total: -0.1290295631E+02
 
 Hessian matrix:
 -0.4376650883E+01 -0.2370290379E+00 -0.6981873594E-01
 -0.2370290379E+00 -0.4061979542E+01  0.1354585152E+00
 -0.6981873594E-01  0.1354585152E+00 -0.4464325882E+01
 Eigenvalues of Hessian: -0.4506930313E+01 -0.4501922605E+01 -0.3894103389E+01
 Eigenvectors(columns) of Hessian:
 -0.4450565138E+00 -0.7708388256E+00 -0.4557764852E+00
 -0.4692764294E+00 -0.2327219308E+00  0.8518333967E+00
  0.7626954388E+00 -0.5929991635E+00  0.2581620805E+00
 Determinant of Hessian: -0.7901077931E+02
 Ellipticity of electron density:    0.001112
 eta index:   -1.157373
 
 ----------------   CP   115,     Type (3,-3)   ----------------
 Corresponding nucleus:    10(C )
 Position (Bohr):        7.254848506577    0.400811620113   -7.840852782751
 Position (Angstrom):    3.839100498234    0.212100375229   -4.149200606677
 Density of all electrons:  0.1124502492E+03
 Density of Alpha electrons:  0.5622512460E+02
 Density of Beta electrons:  0.5622512460E+02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.5743835273E+01
 G(r) in X,Y,Z:  0.1782800661E+01  0.2072015819E+01  0.1889018794E+01
 Hamiltonian kinetic energy K(r):  0.6477195897E+05
 Potential energy density V(r): -0.6477770281E+05
 Energy density E(r) or H(r): -0.6477195897E+05
 Laplacian of electron density: -0.2590648605E+06
 Electron localization function (ELF):  0.9999994169E+00
 Localized orbital locator (LOL):  0.9992369825E+00
 Local information entropy:  0.3658259095E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1124502492E+03
 Sign(lambda2)*rho with promolecular approximation: -0.1213963133E+03
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.8630542417E-06
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.1928536566E+04
 Wavefunction value for orbital         1 : -0.8324357919E-05
 Average local ionization energy (ALIE):  0.9513686324E+01
 Delta-g (under promolecular approximation):  0.3622055549E-01
 Delta-g (under Hirshfeld partition):  0.4438151014E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.3758884821E+07
 ESP from electrons: -0.4412147947E+02
 Total ESP:  0.3758840700E+07 a.u. ( 0.1022833E+09 eV, 0.2358710E+10 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.1418640205E-10  0.1983968545E-11  0.2423050649E-10
 Norm of gradient is:  0.2814795870E-10
 
 Components of Laplacian in x/y/z are:
 -0.8635532465E+05 -0.8635452642E+05 -0.8635500946E+05
 Total: -0.2590648605E+06
 
 Hessian matrix:
 -0.8635532465E+05 -0.2286697110E+00 -0.7189151065E+00
 -0.2286697110E+00 -0.8635452642E+05 -0.2217729944E+00
 -0.7189151065E+00 -0.2217729944E+00 -0.8635500946E+05
 Eigenvalues of Hessian: -0.8635597264E+05 -0.8635447548E+05 -0.8635441242E+05
 Eigenvectors(columns) of Hessian:
 -0.7584670500E+00  0.4825251756E+00 -0.4380607138E+00
 -0.2143063084E+00 -0.8194518845E+00 -0.5315744681E+00
 -0.6154677411E+00 -0.3093025443E+00  0.7249354425E+00
 Determinant of Hessian: -0.6439642591E+15
 Ellipticity of electron density:    0.000017
 eta index:   -1.000018
 
 ----------------   CP   116,     Type (3,-3)   ----------------
 Corresponding nucleus:    11(C )
 Position (Bohr):        6.049014082723    2.669238643218   -7.135417878933
 Position (Angstrom):    3.201000401008    1.412500260453   -3.775900531801
 Density of all electrons:  0.1124286869E+03
 Density of Alpha electrons:  0.5621434347E+02
 Density of Beta electrons:  0.5621434347E+02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.5781487716E+01
 G(r) in X,Y,Z:  0.1838695082E+01  0.2028342462E+01  0.1914450172E+01
 Hamiltonian kinetic energy K(r):  0.6475773004E+05
 Potential energy density V(r): -0.6476351153E+05
 Energy density E(r) or H(r): -0.6475773004E+05
 Laplacian of electron density: -0.2590077942E+06
 Electron localization function (ELF):  0.9999994089E+00
 Localized orbital locator (LOL):  0.9992317392E+00
 Local information entropy:  0.3658338792E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1124286869E+03
 Sign(lambda2)*rho with promolecular approximation: -0.1213961575E+03
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.3651736993E-04
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.2118797635E+04
 Wavefunction value for orbital         1 : -0.1813001021E-04
 Average local ionization energy (ALIE):  0.9507251122E+01
 Delta-g (under promolecular approximation):  0.3637189860E-01
 Delta-g (under Hirshfeld partition):  0.4467572919E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4601753399E+07
 ESP from electrons: -0.4540346012E+02
 Total ESP:  0.4601707995E+07 a.u. ( 0.1252188E+09 eV, 0.2887618E+10 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.3409217353E-10 -0.1723132748E-10 -0.6337597114E-11
 Norm of gradient is:  0.3872157124E-10
 
 Components of Laplacian in x/y/z are:
 -0.8633618332E+05 -0.8633563651E+05 -0.8633597439E+05
 Total: -0.2590077942E+06
 
 Hessian matrix:
 -0.8633618332E+05 -0.1642418342E+00 -0.5137307054E+00
 -0.1642418342E+00 -0.8633563651E+05 -0.1427435916E+00
 -0.5137307054E+00 -0.1427435916E+00 -0.8633597439E+05
 Eigenvalues of Hessian: -0.8633664979E+05 -0.8633559097E+05 -0.8633555346E+05
 Eigenvectors(columns) of Hessian:
 -0.7563127907E+00  0.2709452097E+00 -0.5954659150E+00
 -0.2098790871E+00 -0.9625834466E+00 -0.1714172602E+00
 -0.6196303183E+00 -0.4669223823E-02  0.7848799061E+00
 Determinant of Hessian: -0.6435387992E+15
 Ellipticity of electron density:    0.000012
 eta index:   -1.000013
 
 ----------------   CP   117,     Type (3,-3)   ----------------
 Corresponding nucleus:    12(C )
 Position (Bohr):        4.404571524890    2.585898310244   -5.117752681597
 Position (Angstrom):    2.330798874764    1.368398455494   -2.708198090139
 Density of all electrons:  0.1123961050E+03
 Density of Alpha electrons:  0.5619805249E+02
 Density of Beta electrons:  0.5619805249E+02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.5749292600E+01
 G(r) in X,Y,Z:  0.1847971504E+01  0.1990895505E+01  0.1910425591E+01
 Hamiltonian kinetic energy K(r):  0.6473771933E+05
 Potential energy density V(r): -0.6474346862E+05
 Energy density E(r) or H(r): -0.6473771933E+05
 Laplacian of electron density: -0.2589278801E+06
 Electron localization function (ELF):  0.9999994149E+00
 Localized orbital locator (LOL):  0.9992356452E+00
 Local information entropy:  0.3658458937E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1123961050E+03
 Sign(lambda2)*rho with promolecular approximation: -0.1213909937E+03
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1929596638E-03
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.2849753785E+04
 Wavefunction value for orbital         1 : -0.2829136114E-05
 Average local ionization energy (ALIE):  0.9532477012E+01
 Delta-g (under promolecular approximation):  0.4937536405E-01
 Delta-g (under Hirshfeld partition):  0.5940050373E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.1167445325E+07
 ESP from electrons: -0.5076600311E+02
 Total ESP:  0.1167394559E+07 a.u. ( 0.3176642E+08 eV, 0.7325518E+09 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.1264249816E-10 -0.2339128891E-11 -0.3108080460E-10
 Norm of gradient is:  0.3363511109E-10
 
 Components of Laplacian in x/y/z are:
 -0.8630944274E+05 -0.8630911579E+05 -0.8630932159E+05
 Total: -0.2589278801E+06
 
 Hessian matrix:
 -0.8630944274E+05 -0.3886534828E+00 -0.6418432470E+00
 -0.3886534828E+00 -0.8630911579E+05  0.1151903267E+00
 -0.6418432470E+00  0.1151903267E+00 -0.8630932159E+05
 Eigenvalues of Hessian: -0.8631007740E+05 -0.8630927897E+05 -0.8630852376E+05
 Eigenvectors(columns) of Hessian:
 -0.7584179047E+00  0.1831409948E+00  0.6255091189E+00
 -0.2336445441E+00  0.8195317800E+00 -0.5232378891E+00
 -0.6084509092E+00 -0.5429797764E+00 -0.5787576812E+00
 Determinant of Hessian: -0.6429433119E+15
 Ellipticity of electron density:    0.000009
 eta index:   -1.000018
 
 ----------------   CP   118,     Type (3,-1)   ----------------
 Position (Bohr):        0.008045253333    0.316980102035   -0.872679549725
 Position (Angstrom):    0.004257364720    0.167738646307   -0.461802130136
 Density of all electrons:  0.1430377098E+02
 Density of Alpha electrons:  0.7151885492E+01
 Density of Beta electrons:  0.7151885492E+01
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.1742728456E+03
 G(r) in X,Y,Z:  0.1527999151E+02  0.1135053363E+03  0.4548751784E+02
 Hamiltonian kinetic energy K(r):  0.3233636578E+03
 Potential energy density V(r): -0.4976365034E+03
 Energy density E(r) or H(r): -0.3233636578E+03
 Laplacian of electron density: -0.5963632488E+03
 Electron localization function (ELF):  0.6585074753E+00
 Localized orbital locator (LOL):  0.5813517920E+00
 Local information entropy:  0.1533964209E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1430377098E+02
 Sign(lambda2)*rho with promolecular approximation: -0.1659718375E+02
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1444001757E+00
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.5111160142E+02
 Wavefunction value for orbital         1 :  0.5944372946E-05
 Average local ionization energy (ALIE):  0.6026005912E+01
 Delta-g (under promolecular approximation):  0.1684384742E-02
 Delta-g (under Hirshfeld partition):  0.3611209331E-02
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.1779342678E+03
 ESP from electrons: -0.7987681784E+02
 Total ESP:  0.9805744996E+02 a.u. ( 0.2668279E+04 eV, 0.6153203E+05 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.4551914401E-14 -0.2486899575E-13 -0.2664535259E-13
 Norm of gradient is:  0.3673093640E-13
 
 Components of Laplacian in x/y/z are:
 -0.4886397167E+03  0.1855048102E+03 -0.2932283423E+03
 Total: -0.5963632488E+03
 
 Hessian matrix:
 -0.4886397167E+03  0.1917495947E+02 -0.1507386163E+03
  0.1917495947E+02  0.1855048102E+03  0.1350771949E+02
 -0.1507386163E+03  0.1350771949E+02 -0.2932283423E+03
 Eigenvalues of Hessian: -0.5712857099E+03 -0.2113180443E+03  0.1862405054E+03
 Eigenvectors(columns) of Hessian:
  0.8780840782E+00 -0.4779151860E+00  0.2377870091E-01
 -0.3077123392E-01 -0.6806314452E-02  0.9995032793E+00
  0.4775159503E+00  0.8783796156E+00  0.2068255633E-01
 Determinant of Hessian:  0.2248350862E+08
 Ellipticity of electron density:    1.703440
 eta index:    3.067462
 
 ----------------   CP   119,     Type (3,+1)   ----------------
 Position (Bohr):        0.836552540037    0.311065159735   -0.667291476287
 Position (Angstrom):    0.442684539910    0.164608593637   -0.353115442281
 Density of all electrons:  0.1232735377E+02
 Density of Alpha electrons:  0.6163676885E+01
 Density of Beta electrons:  0.6163676885E+01
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.2067310448E+03
 G(r) in X,Y,Z:  0.1475631874E+01  0.1017659425E+03  0.1034894704E+03
 Hamiltonian kinetic energy K(r):  0.2476772140E+03
 Potential energy density V(r): -0.4544082587E+03
 Energy density E(r) or H(r): -0.2476772140E+03
 Laplacian of electron density: -0.1637846768E+03
 Electron localization function (ELF):  0.4549678572E+00
 Localized orbital locator (LOL):  0.4774380944E+00
 Local information entropy:  0.1388426366E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho:  0.1232735377E+02
 Sign(lambda2)*rho with promolecular approximation: -0.1627373325E+02
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.6798352632E-01
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.1169572517E+02
 Wavefunction value for orbital         1 : -0.5990432391E-05
 Average local ionization energy (ALIE):  0.6976064093E+01
 Delta-g (under promolecular approximation):  0.1814588241E-02
 Delta-g (under Hirshfeld partition):  0.3301837282E-02
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.1758430774E+03
 ESP from electrons: -0.7981361020E+02
 Total ESP:  0.9602946720E+02 a.u. ( 0.2613095E+04 eV, 0.6025945E+05 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.1687538997E-13 -0.4440892099E-15 -0.8881784197E-15
 Norm of gradient is:  0.1690458112E-13
 
 Components of Laplacian in x/y/z are:
 -0.5351948768E+03  0.1803779553E+03  0.1910322447E+03
 Total: -0.1637846768E+03
 
 Hessian matrix:
 -0.5351948768E+03 -0.1182864836E+02  0.5093258544E+01
 -0.1182864836E+02  0.1803779553E+03  0.1849950233E+02
  0.5093258544E+01  0.1849950233E+02  0.1910322447E+03
 Eigenvalues of Hessian: -0.5354304945E+03  0.1666768948E+03  0.2049689229E+03
 Eigenvectors(columns) of Hessian:
 -0.9998326591E+00 -0.1782003110E-01 -0.4135242715E-02
 -0.1671427874E-01  0.7979935801E+00  0.6024341284E+00
  0.7435497763E-02 -0.6024024341E+00  0.7981578921E+00
 Determinant of Hessian: -0.1829222446E+08
 Ellipticity of electron density:   -4.212386
 eta index:    2.612252
 
 ----------------   CP   120,     Type (3,-3)   ----------------
 Corresponding nucleus:    13(N )
 Position (Bohr):        3.892281135092    0.528743946559   -3.774931584688
 Position (Angstrom):    2.059706475119    0.279799246922   -1.997607767335
 Density of all electrons:  0.1831431872E+03
 Density of Alpha electrons:  0.9157159362E+02
 Density of Beta electrons:  0.9157159362E+02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.1864025507E+02
 G(r) in X,Y,Z:  0.6301171090E+01  0.5618432385E+01  0.6720651595E+01
 Hamiltonian kinetic energy K(r):  0.1450333422E+06
 Potential energy density V(r): -0.1450519825E+06
 Energy density E(r) or H(r): -0.1450333422E+06
 Laplacian of electron density: -0.5800588080E+06
 Electron localization function (ELF):  0.9999987918E+00
 Localized orbital locator (LOL):  0.9989020357E+00
 Local information entropy:  0.2721485035E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1831431872E+03
 Sign(lambda2)*rho with promolecular approximation: -0.1931240653E+03
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.2182862111E-03
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.8472930505E+04
 Wavefunction value for orbital         1 :  0.1388749740E-04
 Average local ionization energy (ALIE):  0.1328646845E+02
 Delta-g (under promolecular approximation):  0.5567458511E-01
 Delta-g (under Hirshfeld partition):  0.7440356286E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.3658455508E+06
 ESP from electrons: -0.5873207976E+02
 Total ESP:  0.3657868187E+06 a.u. ( 0.9953566E+07 eV, 0.2295349E+09 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.1832989316E-10  0.1685873663E-11 -0.3743794164E-10
 Norm of gradient is:  0.4171842072E-10
 
 Components of Laplacian in x/y/z are:
 -0.1933523663E+06 -0.1933557947E+06 -0.1933506469E+06
 Total: -0.5800588080E+06
 
 Hessian matrix:
 -0.1933523663E+06  0.1122661989E+00 -0.3620514483E+01
  0.1122661989E+00 -0.1933557947E+06  0.8343624190E-01
 -0.3620514483E+01  0.8343624190E-01 -0.1933506469E+06
 Eigenvalues of Hessian: -0.1933558273E+06 -0.1933551952E+06 -0.1933477854E+06
 Eigenvectors(columns) of Hessian:
  0.1785023631E+00 -0.7639643142E+00 -0.6200769573E+00
 -0.9738654040E+00 -0.2271253087E+00 -0.5187181977E-03
  0.1404388882E+00 -0.6039640889E+00  0.7845408198E+00
 Determinant of Hessian: -0.7228568700E+16
 Ellipticity of electron density:    0.000003
 eta index:   -1.000042
 
 ----------------   CP   121,     Type (3,-1)   ----------------
 Position (Bohr):        0.315767835799    0.355389338165   -0.715137139163
 Position (Angstrom):    0.167097142641    0.188063938755   -0.378434276715
 Density of all electrons:  0.1693343521E+01
 Density of Alpha electrons:  0.8466717604E+00
 Density of Beta electrons:  0.8466717604E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.4264263555E+03
 G(r) in X,Y,Z:  0.1741616821E+03  0.1281501299E+03  0.1241145436E+03
 Hamiltonian kinetic energy K(r):  0.1067023631E+03
 Potential energy density V(r): -0.5331287186E+03
 Energy density E(r) or H(r): -0.1067023631E+03
 Laplacian of electron density:  0.1278895970E+04
 Electron localization function (ELF):  0.2623123334E-03
 Localized orbital locator (LOL):  0.1593998539E-01
 Local information entropy:  0.3125136562E-01
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1693343521E+01
 Sign(lambda2)*rho with promolecular approximation: -0.6288337028E+03
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.3013757522E-01
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.1185125532E+03
 Wavefunction value for orbital         1 : -0.2142158210E-05
 Average local ionization energy (ALIE):  0.4173721999E+01
 Delta-g (under promolecular approximation):  0.1406548612E-02
 Delta-g (under Hirshfeld partition):  0.7388355504E-04
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.6243971744E+03
 ESP from electrons: -0.8256878509E+02
 Total ESP:  0.5418283893E+03 a.u. ( 0.1474390E+05 eV, 0.3400027E+06 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.4840572387E-13  0.4996003611E-13 -0.2953193246E-13
 Norm of gradient is:  0.7557284133E-13
 
 Components of Laplacian in x/y/z are:
  0.8738298341E+03  0.2165611888E+03  0.1885049468E+03
 Total:  0.1278895970E+04
 
 Hessian matrix:
  0.8738298341E+03 -0.7082462051E+03  0.7072524436E+03
 -0.7082462051E+03  0.2165611888E+03 -0.5534820281E+03
  0.7072524436E+03 -0.5534820281E+03  0.1885049468E+03
 Eigenvalues of Hessian: -0.3515734499E+03 -0.1871410706E+03  0.1817610490E+04
 Eigenvectors(columns) of Hessian:
 -0.3724879395E-01  0.6850332857E+00 -0.7275588807E+00
  0.6731150919E+00  0.5553204630E+00  0.4884007129E+00
  0.7385990796E+00 -0.4715385253E+00 -0.4817912606E+00
 Determinant of Hessian:  0.1195875589E+09
 Ellipticity of electron density:    0.878655
 eta index:    0.193426
 
 ----------------   CP   122,     Type (3,-1)   ----------------
 Position (Bohr):        0.009050244506    0.090857739693   -0.666836531426
 Position (Angstrom):    0.004789183146    0.048079845280   -0.352874695828
 Density of all electrons:  0.1402687316E+02
 Density of Alpha electrons:  0.7013436580E+01
 Density of Beta electrons:  0.7013436580E+01
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.1802976147E+03
 G(r) in X,Y,Z:  0.1584470600E+02  0.4602193472E+02  0.1184309739E+03
 Hamiltonian kinetic energy K(r):  0.3122425352E+03
 Potential energy density V(r): -0.4925401499E+03
 Energy density E(r) or H(r): -0.3122425352E+03
 Laplacian of electron density: -0.5277796823E+03
 Electron localization function (ELF):  0.6279695325E+00
 Localized orbital locator (LOL):  0.5650683990E+00
 Local information entropy:  0.1514203938E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1402687316E+02
 Sign(lambda2)*rho with promolecular approximation: -0.1655364510E+02
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.6849776981E+00
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.6240075865E+02
 Wavefunction value for orbital         1 :  0.8606833084E-05
 Average local ionization energy (ALIE):  0.6138138089E+01
 Delta-g (under promolecular approximation):  0.1489984502E-02
 Delta-g (under Hirshfeld partition):  0.3143931409E-02
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.1776675329E+03
 ESP from electrons: -0.7989062827E+02
 Total ESP:  0.9777690467E+02 a.u. ( 0.2660645E+04 eV, 0.6135599E+05 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.8881784197E-14  0.1065814104E-13  0.0000000000E+00
 Norm of gradient is:  0.1387379043E-13
 
 Components of Laplacian in x/y/z are:
 -0.4778127659E+03 -0.2775481276E+03  0.2275812112E+03
 Total: -0.5277796823E+03
 
 Hessian matrix:
 -0.4778127659E+03 -0.1610070126E+03  0.6208205528E+01
 -0.1610070126E+03 -0.2775481276E+03 -0.2136910596E+02
  0.6208205528E+01 -0.2136910596E+02  0.2275812112E+03
 Eigenvalues of Hessian: -0.5673155251E+03 -0.1892053315E+03  0.2287411743E+03
 Eigenvectors(columns) of Hessian:
 -0.8739126027E+00 -0.4856790226E+00  0.1981539554E-01
 -0.4860430166E+00  0.8725907896E+00 -0.4845100647E-01
 -0.6240905826E-02  0.5197307979E-01  0.9986289852E+00
 Determinant of Hessian:  0.2455287681E+08
 Ellipticity of electron density:    1.998412
 eta index:    2.480164
 
 ----------------   CP   123,     Type (3,+1)   ----------------
 Position (Bohr):        0.656899560362   -0.052424716112   -0.667625348577
 Position (Angstrom):    0.347616277196   -0.027741965055   -0.353292119888
 Density of all electrons:  0.1246067255E+02
 Density of Alpha electrons:  0.6230336274E+01
 Density of Beta electrons:  0.6230336274E+01
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.2259280457E+03
 G(r) in X,Y,Z:  0.7834000780E+02  0.4376910127E+02  0.1038189366E+03
 Hamiltonian kinetic energy K(r):  0.2517964913E+03
 Potential energy density V(r): -0.4777245370E+03
 Energy density E(r) or H(r): -0.2517964913E+03
 Laplacian of electron density: -0.1034737826E+03
 Electron localization function (ELF):  0.4201012445E+00
 Localized orbital locator (LOL):  0.4597922949E+00
 Local information entropy:  0.1398585606E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho:  0.1246067255E+02
 Sign(lambda2)*rho with promolecular approximation: -0.1630585632E+02
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1691669661E+00
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.8777722411E+01
 Wavefunction value for orbital         1 :  0.2883457183E-05
 Average local ionization energy (ALIE):  0.6928709119E+01
 Delta-g (under promolecular approximation):  0.1716120125E-02
 Delta-g (under Hirshfeld partition):  0.3153281621E-02
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.1760405167E+03
 ESP from electrons: -0.7988321676E+02
 Total ESP:  0.9615729990E+02 a.u. ( 0.2616573E+04 eV, 0.6033967E+05 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.2664535259E-14  0.1065814104E-13  0.1931788063E-13
 Norm of gradient is:  0.2222332627E-13
 
 Components of Laplacian in x/y/z are:
 -0.3116774705E+02 -0.2607519196E+03  0.1884458840E+03
 Total: -0.1034737826E+03
 
 Hessian matrix:
 -0.3116774705E+02  0.3792322179E+03 -0.7268876109E+01
  0.3792322179E+03 -0.2607519196E+03 -0.1277924381E+02
 -0.7268876109E+01 -0.1277924381E+02  0.1884458840E+03
 Eigenvalues of Hessian: -0.5422330397E+03  0.1856915564E+03  0.2530677007E+03
 Eigenvectors(columns) of Hessian:
 -0.5958082961E+00  0.1685284205E+00  0.7852455958E+00
  0.8030856525E+00  0.1151347817E+00  0.5846344300E+00
  0.8118436799E-02  0.9789495153E+00 -0.2039410147E+00
 Determinant of Hessian: -0.2548090522E+08
 Ellipticity of electron density:   -3.920074
 eta index:    2.142640
 
 ----------------   CP   124,     Type (3,-3)   ----------------
 Corresponding nucleus:    14(H )
 Position (Bohr):        1.512087239718   -5.094528312425    2.342053887623
 Position (Angstrom):    0.800162108156   -2.695908283236    1.239361544037
 Density of all electrons:  0.3885779265E+00
 Density of Alpha electrons:  0.1942889633E+00
 Density of Beta electrons:  0.1942889633E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.7269300319E-02
 G(r) in X,Y,Z:  0.2815478511E-02  0.2389629957E-02  0.2064191851E-02
 Hamiltonian kinetic energy K(r):  0.3132599111E+01
 Potential energy density V(r): -0.3139868412E+01
 Energy density E(r) or H(r): -0.3132599111E+01
 Laplacian of electron density: -0.1250131924E+02
 Electron localization function (ELF):  0.9998498992E+00
 Localized orbital locator (LOL):  0.9879122487E+00
 Local information entropy:  0.9243737269E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.3885779265E+00
 Sign(lambda2)*rho with promolecular approximation: -0.2837877182E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.4810744632E-05
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.1713028447E+00
 Wavefunction value for orbital         1 :  0.1402519546E-04
 Average local ionization energy (ALIE):  0.4376209578E+00
 Delta-g (under promolecular approximation):  0.1205656968E+00
 Delta-g (under Hirshfeld partition):  0.2463408564E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.5883227327E+02
 ESP from electrons: -0.3894654182E+02
 Total ESP:  0.1988573144E+02 a.u. ( 0.5411183E+03 eV, 0.1247850E+05 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.8023096076E-16 -0.1753805434E-14  0.3259111730E-15
 Norm of gradient is:  0.1785633949E-14
 
 Components of Laplacian in x/y/z are:
 -0.4173202978E+01 -0.4361963613E+01 -0.3966152653E+01
 Total: -0.1250131924E+02
 
 Hessian matrix:
 -0.4173202978E+01 -0.6864426521E-01 -0.2897976814E+00
 -0.6864426521E-01 -0.4361963613E+01  0.1010415784E+00
 -0.2897976814E+00  0.1010415784E+00 -0.3966152653E+01
 Eigenvalues of Hessian: -0.4386342590E+01 -0.4376941315E+01 -0.3738035339E+01
 Eigenvectors(columns) of Hessian:
  0.7512736043E-01 -0.8218190613E+00 -0.5647736805E+00
 -0.9565200213E+00 -0.2194626090E+00  0.1921083342E+00
  0.2818249963E+00 -0.5257847408E+00  0.8025740326E+00
 Determinant of Hessian: -0.7176565869E+02
 Ellipticity of electron density:    0.002148
 eta index:   -1.173435
 
 ----------------   CP   125,     Type (3,-3)   ----------------
 Corresponding nucleus:    15(H )
 Position (Bohr):        3.187016511330   -9.332166186319    1.634728303894
 Position (Angstrom):    1.686496508567   -4.938369674160    0.865060964439
 Density of all electrons:  0.3912773605E+00
 Density of Alpha electrons:  0.1956386803E+00
 Density of Beta electrons:  0.1956386803E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.7976288948E-02
 G(r) in X,Y,Z:  0.3307076293E-02  0.2139351709E-02  0.2529860946E-02
 Hamiltonian kinetic energy K(r):  0.3169733167E+01
 Potential energy density V(r): -0.3177709456E+01
 Energy density E(r) or H(r): -0.3169733167E+01
 Laplacian of electron density: -0.1264702751E+02
 Electron localization function (ELF):  0.9998234530E+00
 Localized orbital locator (LOL):  0.9869021945E+00
 Local information entropy:  0.9298138659E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.3912773605E+00
 Sign(lambda2)*rho with promolecular approximation: -0.2850974155E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1060214759E-05
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.1006827646E+00
 Wavefunction value for orbital         1 : -0.1943471178E-04
 Average local ionization energy (ALIE):  0.4578255028E+00
 Delta-g (under promolecular approximation):  0.1232897332E+00
 Delta-g (under Hirshfeld partition):  0.2497633746E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4908284432E+02
 ESP from electrons: -0.3047157765E+02
 Total ESP:  0.1861126667E+02 a.u. ( 0.5064383E+03 eV, 0.1167876E+05 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.9673251783E-15  0.2877472566E-14  0.6440160905E-16
 Norm of gradient is:  0.3036398184E-14
 
 Components of Laplacian in x/y/z are:
 -0.4394782242E+01 -0.4082133911E+01 -0.4170111361E+01
 Total: -0.1264702751E+02
 
 Hessian matrix:
 -0.4394782242E+01  0.9676647315E-01 -0.7957255871E-01
  0.9676647315E-01 -0.4082133911E+01 -0.2941969692E+00
 -0.7957255871E-01 -0.2941969692E+00 -0.4170111361E+01
 Eigenvalues of Hessian: -0.4425472335E+01 -0.4419372481E+01 -0.3802182697E+01
 Eigenvectors(columns) of Hessian:
  0.5435734661E+00 -0.8134896375E+00 -0.2067909491E+00
 -0.6292179289E+00 -0.2318663879E+00 -0.7418374324E+00
 -0.5555291935E+00 -0.5333597171E+00  0.6378986811E+00
 Determinant of Hessian: -0.7436236927E+02
 Ellipticity of electron density:    0.001380
 eta index:   -1.163929
 
 ----------------   CP   126,     Type (3,-3)   ----------------
 Corresponding nucleus:    20(H )
 Position (Bohr):        6.377216983894    4.355820763080   -8.117076338198
 Position (Angstrom):    3.374677896860    2.305001082600   -4.295371817335
 Density of all electrons:  0.3920430836E+00
 Density of Alpha electrons:  0.1960215418E+00
 Density of Beta electrons:  0.1960215418E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.8143685497E-02
 G(r) in X,Y,Z:  0.3314281840E-02  0.1962577961E-02  0.2866825696E-02
 Hamiltonian kinetic energy K(r):  0.3180011897E+01
 Potential energy density V(r): -0.3188155583E+01
 Energy density E(r) or H(r): -0.3180011897E+01
 Laplacian of electron density: -0.1268747285E+02
 Electron localization function (ELF):  0.9998171709E+00
 Localized orbital locator (LOL):  0.9866739005E+00
 Local information entropy:  0.9313557884E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.3920430836E+00
 Sign(lambda2)*rho with promolecular approximation: -0.2853239503E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.9877712117E-06
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.9011419936E-01
 Wavefunction value for orbital         1 :  0.8164389373E-06
 Average local ionization energy (ALIE):  0.4690770934E+00
 Delta-g (under promolecular approximation):  0.1230917403E+00
 Delta-g (under Hirshfeld partition):  0.2489834333E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4806296765E+02
 ESP from electrons: -0.2929749895E+02
 Total ESP:  0.1876546870E+02 a.u. ( 0.5106344E+03 eV, 0.1177552E+05 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.1206500178E-14 -0.1268082861E-14  0.1755973839E-14
 Norm of gradient is:  0.2479338812E-14
 
 Components of Laplacian in x/y/z are:
 -0.4416264710E+01 -0.3989902141E+01 -0.4281305995E+01
 Total: -0.1268747285E+02
 
 Hessian matrix:
 -0.4416264710E+01  0.8839176802E-01 -0.4816832608E-01
  0.8839176802E-01 -0.3989902141E+01 -0.2608606149E+00
 -0.4816832608E-01 -0.2608606149E+00 -0.4281305995E+01
 Eigenvalues of Hessian: -0.4437022330E+01 -0.4430612878E+01 -0.3819837639E+01
 Eigenvectors(columns) of Hessian:
  0.6311211759E+00 -0.7576374057E+00 -0.1663478968E+00
 -0.4801824328E+00 -0.2131797024E+00 -0.8508696996E+00
 -0.6091887167E+00 -0.6168792231E+00  0.4983463971E+00
 Determinant of Hessian: -0.7509315018E+02
 Ellipticity of electron density:    0.001447
 eta index:   -1.161574
 
 ----------------   CP   127,     Type (3,-3)   ----------------
 Corresponding nucleus:    21(H )
 Position (Bohr):        3.468579262406    4.253792771452   -4.540325742911
 Position (Angstrom):    1.835493099876    2.251010194556   -2.402636913225
 Density of all electrons:  0.3939627879E+00
 Density of Alpha electrons:  0.1969813939E+00
 Density of Beta electrons:  0.1969813939E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.7540008733E-02
 G(r) in X,Y,Z:  0.2977125883E-02  0.1839418177E-02  0.2723464673E-02
 Hamiltonian kinetic energy K(r):  0.3206923076E+01
 Potential energy density V(r): -0.3214463084E+01
 Energy density E(r) or H(r): -0.3206923076E+01
 Laplacian of electron density: -0.1279753227E+02
 Electron localization function (ELF):  0.9998457684E+00
 Localized orbital locator (LOL):  0.9877484525E+00
 Local information entropy:  0.9352190821E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.3939627879E+00
 Sign(lambda2)*rho with promolecular approximation: -0.2849092873E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.7831459741E-05
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.1429682587E+00
 Wavefunction value for orbital         1 : -0.2364452475E-05
 Average local ionization energy (ALIE):  0.4582738412E+00
 Delta-g (under promolecular approximation):  0.1189648891E+00
 Delta-g (under Hirshfeld partition):  0.2419236967E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.5854587199E+02
 ESP from electrons: -0.3776590356E+02
 Total ESP:  0.2077996844E+02 a.u. ( 0.5654517E+03 eV, 0.1303964E+05 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.1909280026E-15 -0.3816391647E-16 -0.4085273786E-15
 Norm of gradient is:  0.4525534286E-15
 
 Components of Laplacian in x/y/z are:
 -0.4333990496E+01 -0.4042574643E+01 -0.4420967129E+01
 Total: -0.1279753227E+02
 
 Hessian matrix:
 -0.4333990496E+01 -0.2411533581E+00 -0.7870683924E-01
 -0.2411533581E+00 -0.4042574643E+01  0.1498873123E+00
 -0.7870683924E-01  0.1498873123E+00 -0.4420967129E+01
 Eigenvalues of Hessian: -0.4475787423E+01 -0.4465891980E+01 -0.3855852865E+01
 Eigenvectors(columns) of Hessian:
 -0.4572595771E+00 -0.7558465549E+00 -0.4686252923E+00
 -0.5072746014E+00 -0.2111398064E+00  0.8355192762E+00
  0.7304698200E+00 -0.6197708992E+00  0.2868760613E+00
 Determinant of Hessian: -0.7707226446E+02
 Ellipticity of electron density:    0.002216
 eta index:   -1.160778
 
 ----------------   CP   128,     Type (3,-1)   ----------------
 Position (Bohr):        0.392548089556    0.200977239309   -0.665787388388
 Position (Angstrom):    0.207727503177    0.106352574952   -0.352319513242
 Density of all electrons:  0.1818273005E+01
 Density of Alpha electrons:  0.9091365025E+00
 Density of Beta electrons:  0.9091365025E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.4868401291E+03
 G(r) in X,Y,Z:  0.8910434887E+02  0.2899108115E+03  0.1078249687E+03
 Hamiltonian kinetic energy K(r):  0.1330415480E+03
 Potential energy density V(r): -0.6198816771E+03
 Energy density E(r) or H(r): -0.1330415480E+03
 Laplacian of electron density:  0.1415194325E+04
 Electron localization function (ELF):  0.2551431438E-03
 Localized orbital locator (LOL):  0.1572404388E-01
 Local information entropy:  0.3308804747E-01
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1818273005E+01
 Sign(lambda2)*rho with promolecular approximation: -0.6753076019E+03
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.3220102907E-01
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.1410191259E+03
 Wavefunction value for orbital         1 : -0.6399572276E-05
 Average local ionization energy (ALIE):  0.3933641630E+01
 Delta-g (under promolecular approximation):  0.1231323338E-02
 Delta-g (under Hirshfeld partition):  0.7371893093E-04
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.6398840281E+03
 ESP from electrons: -0.8260672979E+02
 Total ESP:  0.5572772984E+03 a.u. ( 0.1516429E+05 eV, 0.3496971E+06 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.2220446049E-14 -0.3375077995E-13  0.0000000000E+00
 Norm of gradient is:  0.3382374207E-13
 
 Components of Laplacian in x/y/z are:
 -0.4704989900E+03  0.2175658830E+04 -0.2899655154E+03
 Total:  0.1415194325E+04
 
 Hessian matrix:
 -0.4704989900E+03 -0.1340264702E+02  0.1577537793E+01
 -0.1340264702E+02  0.2175658830E+04  0.3953987841E+02
  0.1577537793E+01  0.3953987841E+02 -0.2899655154E+03
 Eigenvalues of Hessian: -0.4705844274E+03 -0.2905815869E+03  0.2176360339E+04
 Eigenvectors(columns) of Hessian:
 -0.9999376626E+00  0.9956637003E-02  0.5053337048E-02
 -0.5212010683E-02 -0.1597550130E-01 -0.9998587992E+00
  0.9874501525E-02  0.9998228087E+00 -0.1602639953E-01
 Determinant of Hessian:  0.2976024112E+09
 Ellipticity of electron density:    0.619457
 eta index:    0.216225
 
 ----------------   CP   129,     Type (3,+1)   ----------------
 Position (Bohr):        0.406863973136    0.619998131695   -0.975399234079
 Position (Angstrom):    0.215303142521    0.328088882095   -0.516159046207
 Density of all electrons:  0.1237551824E+02
 Density of Alpha electrons:  0.6187759122E+01
 Density of Beta electrons:  0.6187759122E+01
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.1970226797E+03
 G(r) in X,Y,Z:  0.8605275373E+02  0.5464120691E+02  0.5632871904E+02
 Hamiltonian kinetic energy K(r):  0.2490174808E+03
 Potential energy density V(r): -0.4460401605E+03
 Energy density E(r) or H(r): -0.2490174808E+03
 Laplacian of electron density: -0.2079792046E+03
 Electron localization function (ELF):  0.4821525762E+00
 Localized orbital locator (LOL):  0.4910734565E+00
 Local information entropy:  0.1392102623E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho:  0.1237551824E+02
 Sign(lambda2)*rho with promolecular approximation: -0.1629203166E+02
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.6499723864E-01
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.1350736305E+02
 Wavefunction value for orbital         1 : -0.3114557104E-05
 Average local ionization energy (ALIE):  0.6972079349E+01
 Delta-g (under promolecular approximation):  0.1928587100E-02
 Delta-g (under Hirshfeld partition):  0.3510501315E-02
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.1758660101E+03
 ESP from electrons: -0.7975594871E+02
 Total ESP:  0.9611006140E+02 a.u. ( 0.2615288E+04 eV, 0.6031002E+05 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.1332267630E-14  0.2486899575E-13  0.1598721155E-13
 Norm of gradient is:  0.2959447280E-13
 
 Components of Laplacian in x/y/z are:
  0.1321467018E+03 -0.1757925066E+03 -0.1643333998E+03
 Total: -0.2079792046E+03
 
 Hessian matrix:
  0.1321467018E+03 -0.1888360290E+02  0.1222687704E+02
 -0.1888360290E+02 -0.1757925066E+03  0.3680046072E+03
  0.1222687704E+02  0.3680046072E+03 -0.1643333998E+03
 Eigenvalues of Hessian: -0.5388357783E+03  0.1325562163E+03  0.1983003575E+03
 Eigenvectors(columns) of Hessian:
  0.3282268637E-01  0.9970705550E+00  0.6908675352E-01
  0.7123472050E+00  0.2514834843E-01 -0.7013765181E+00
 -0.7010592919E+00  0.7223481726E-01 -0.7094349867E+00
 Determinant of Hessian: -0.1416380767E+08
 Ellipticity of electron density:   -5.064960
 eta index:    2.717271
 
 ----------------   CP   130,     Type (3,-3)   ----------------
 Corresponding nucleus:    22(C )
 Position (Bohr):        4.483942531303    7.719343220420    0.687294158305
 Position (Angstrom):    2.372800202564    4.084900515385    0.363700405762
 Density of all electrons:  0.1121781496E+03
 Density of Alpha electrons:  0.5608907481E+02
 Density of Beta electrons:  0.5608907481E+02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.5768554871E+01
 G(r) in X,Y,Z:  0.1917803100E+01  0.1932854091E+01  0.1917897680E+01
 Hamiltonian kinetic energy K(r):  0.6459322259E+05
 Potential energy density V(r): -0.6459899114E+05
 Energy density E(r) or H(r): -0.6459322259E+05
 Laplacian of electron density: -0.2583498161E+06
 Electron localization function (ELF):  0.9999994071E+00
 Localized orbital locator (LOL):  0.9992306032E+00
 Local information entropy:  0.3659253828E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1121781496E+03
 Sign(lambda2)*rho with promolecular approximation: -0.1213941272E+03
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.4059411464E-05
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.2296160140E+04
 Wavefunction value for orbital         1 : -0.8802784553E-06
 Average local ionization energy (ALIE):  0.9504410618E+01
 Delta-g (under promolecular approximation):  0.3992988548E-01
 Delta-g (under Hirshfeld partition):  0.4910027402E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4760080298E+07
 ESP from electrons: -0.4457414270E+02
 Total ESP:  0.4760035724E+07 a.u. ( 0.1295272E+09 eV, 0.2986970E+10 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.2845947089E-10 -0.1293906648E-10  0.3493802470E-11
 Norm of gradient is:  0.3145739310E-10
 
 Components of Laplacian in x/y/z are:
 -0.8611661982E+05 -0.8611657582E+05 -0.8611662049E+05
 Total: -0.2583498161E+06
 
 Hessian matrix:
 -0.8611661982E+05 -0.2661018397E+00  0.7324324780E-01
 -0.2661018397E+00 -0.8611657582E+05  0.1314223795E+00
  0.7324324780E-01  0.1314223795E+00 -0.8611662049E+05
 Eigenvalues of Hessian: -0.8611693132E+05 -0.8611656250E+05 -0.8611632231E+05
 Eigenvectors(columns) of Hessian:
 -0.6442487910E+00  0.4315681165E+00  0.6314209816E+00
 -0.6381125499E+00  0.1518009976E+00 -0.7548303324E+00
  0.4216110398E+00  0.8892161818E+00 -0.1775914221E+00
 Determinant of Hessian: -0.6386467496E+15
 Ellipticity of electron density:    0.000004
 eta index:   -1.000007
 
 ----------------   CP   131,     Type (3,-3)   ----------------
 Corresponding nucleus:    23(C )
 Position (Bohr):        2.499730664901    5.776696638780    1.343027533887
 Position (Angstrom):    1.322800501261    3.056896215542    0.710699564548
 Density of all electrons:  0.1124629017E+03
 Density of Alpha electrons:  0.5623145087E+02
 Density of Beta electrons:  0.5623145087E+02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.5477302358E+01
 G(r) in X,Y,Z:  0.2065315627E+01  0.1897196118E+01  0.1514790613E+01
 Hamiltonian kinetic energy K(r):  0.6478413384E+05
 Potential energy density V(r): -0.6478961114E+05
 Energy density E(r) or H(r): -0.6478413384E+05
 Laplacian of electron density: -0.2591146261E+06
 Electron localization function (ELF):  0.9999994700E+00
 Localized orbital locator (LOL):  0.9992724996E+00
 Local information entropy:  0.3658212259E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1124629017E+03
 Sign(lambda2)*rho with promolecular approximation: -0.1213836956E+03
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1140753231E-05
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.3203785153E+04
 Wavefunction value for orbital         1 : -0.2496544035E-05
 Average local ionization energy (ALIE):  0.9572492672E+01
 Delta-g (under promolecular approximation):  0.4875777268E-01
 Delta-g (under Hirshfeld partition):  0.5693414933E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.8233139605E+06
 ESP from electrons: -0.5191258945E+02
 Total ESP:  0.8232620479E+06 a.u. ( 0.2240210E+08 eV, 0.5166052E+09 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.1368888336E-10  0.1223599000E-10  0.2003064381E-11
 Norm of gradient is:  0.1846935965E-10
 
 Components of Laplacian in x/y/z are:
 -0.8637070527E+05 -0.8637141384E+05 -0.8637250703E+05
 Total: -0.2591146261E+06
 
 Hessian matrix:
 -0.8637070527E+05  0.2478039645E+00 -0.5556577559E+00
  0.2478039645E+00 -0.8637141384E+05  0.7588617566E-01
 -0.5556577559E+00  0.7588617566E-01 -0.8637250703E+05
 Eigenvalues of Hessian: -0.8637268050E+05 -0.8637145008E+05 -0.8637049556E+05
 Eigenvectors(columns) of Hessian:
  0.2821175113E+00 -0.1936900082E+00 -0.9396243348E+00
 -0.1122745838E+00  0.9660125331E+00 -0.2328394376E+00
  0.9527875564E+00  0.1711840138E+00  0.2507825867E+00
 Determinant of Hessian: -0.6443354414E+15
 Ellipticity of electron density:    0.000014
 eta index:   -1.000025
 
 ----------------   CP   132,     Type (3,-3)   ----------------
 Corresponding nucleus:    24(C )
 Position (Bohr):        0.040251474805    6.661851564824    2.108933838966
 Position (Angstrom):    0.021300163172    3.525300030523    1.115999726883
 Density of all electrons:  0.1124407189E+03
 Density of Alpha electrons:  0.5622035945E+02
 Density of Beta electrons:  0.5622035945E+02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.5699381987E+01
 G(r) in X,Y,Z:  0.1946501795E+01  0.2020269820E+01  0.1732610371E+01
 Hamiltonian kinetic energy K(r):  0.6476924556E+05
 Potential energy density V(r): -0.6477494495E+05
 Energy density E(r) or H(r): -0.6476924556E+05
 Laplacian of electron density: -0.2590541847E+06
 Electron localization function (ELF):  0.9999994257E+00
 Localized orbital locator (LOL):  0.9992427763E+00
 Local information entropy:  0.3658294339E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1124407189E+03
 Sign(lambda2)*rho with promolecular approximation: -0.1213947035E+03
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.2090135431E-02
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.2950119860E+04
 Wavefunction value for orbital         1 :  0.2450981400E-04
 Average local ionization energy (ALIE):  0.9499563330E+01
 Delta-g (under promolecular approximation):  0.3664752989E-01
 Delta-g (under Hirshfeld partition):  0.4521937058E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.9827025678E+07
 ESP from electrons: -0.5030042477E+02
 Total ESP:  0.9826975378E+07 a.u. ( 0.2674056E+09 eV, 0.6166525E+10 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.9238096399E-13  0.1396216476E-10 -0.1512684422E-10
 Norm of gradient is:  0.2058572309E-10
 
 Components of Laplacian in x/y/z are:
 -0.8635137879E+05 -0.8635100951E+05 -0.8635179642E+05
 Total: -0.2590541847E+06
 
 Hessian matrix:
 -0.8635137879E+05  0.5662162214E-01 -0.3207476044E+00
  0.5662162214E-01 -0.8635100951E+05  0.1158313478E+00
 -0.3207476044E+00  0.1158313478E+00 -0.8635179642E+05
 Eigenvalues of Hessian: -0.8635198731E+05 -0.8635120501E+05 -0.8635099241E+05
 Eigenvectors(columns) of Hessian:
  0.4717776470E+00 -0.8808127443E+00  0.3993446217E-01
 -0.1306171233E+00 -0.2502519965E-01  0.9911169994E+00
  0.8719891163E+00  0.4728029705E+00  0.1268555566E+00
 Determinant of Hessian: -0.6438846510E+15
 Ellipticity of electron density:    0.000009
 eta index:   -1.000012
 
 ----------------   CP   133,     Type (3,-3)   ----------------
 Corresponding nucleus:    25(C )
 Position (Bohr):       -1.973062187496    4.992461037765    2.803973020220
 Position (Angstrom):   -1.044099545317    2.641896607506    1.483798622287
 Density of all electrons:  0.1124774014E+03
 Density of Alpha electrons:  0.5623870070E+02
 Density of Beta electrons:  0.5623870070E+02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.5495715971E+01
 G(r) in X,Y,Z:  0.2014980738E+01  0.1903318919E+01  0.1577416313E+01
 Hamiltonian kinetic energy K(r):  0.6479350074E+05
 Potential energy density V(r): -0.6479899646E+05
 Energy density E(r) or H(r): -0.6479350074E+05
 Laplacian of electron density: -0.2591520201E+06
 Electron localization function (ELF):  0.9999994666E+00
 Localized orbital locator (LOL):  0.9992702124E+00
 Local information entropy:  0.3658158523E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1124774014E+03
 Sign(lambda2)*rho with promolecular approximation: -0.1213844743E+03
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.2056916219E-04
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.3405105920E+04
 Wavefunction value for orbital         1 :  0.2072448815E-04
 Average local ionization energy (ALIE):  0.9563811911E+01
 Delta-g (under promolecular approximation):  0.5029220617E-01
 Delta-g (under Hirshfeld partition):  0.5864483981E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.8570100942E+06
 ESP from electrons: -0.5209579429E+02
 Total ESP:  0.8569579984E+06 a.u. ( 0.2331901E+08 eV, 0.5377497E+09 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.6843969835E-12 -0.3659161862E-10  0.5277833726E-11
 Norm of gradient is:  0.3697662074E-10
 
 Components of Laplacian in x/y/z are:
 -0.8638333909E+05 -0.8638388744E+05 -0.8638479358E+05
 Total: -0.2591520201E+06
 
 Hessian matrix:
 -0.8638333909E+05  0.1767027113E+00 -0.8420999021E+00
  0.1767027113E+00 -0.8638388744E+05  0.2663576212E+00
 -0.8420999021E+00  0.2663576212E+00 -0.8638479358E+05
 Eigenvalues of Hessian: -0.8638525210E+05 -0.8638381712E+05 -0.8638295089E+05
 Eigenvectors(columns) of Hessian:
 -0.4098842542E+00  0.4281011050E-01  0.9111323683E+00
  0.2255769989E+00  0.9726272179E+00  0.5577914150E-01
 -0.8838042293E+00  0.2283934971E+00 -0.4083215581E+00
 Determinant of Hessian: -0.6446144422E+15
 Ellipticity of electron density:    0.000017
 eta index:   -1.000027
 
 ----------------   CP   134,     Type (3,-1)   ----------------
 Position (Bohr):        0.391532765704    0.406416681018   -0.662493322169
 Position (Angstrom):    0.207190216932    0.215066445725   -0.350576368467
 Density of all electrons:  0.1817124536E+01
 Density of Alpha electrons:  0.9085622678E+00
 Density of Beta electrons:  0.9085622678E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.4863529577E+03
 G(r) in X,Y,Z:  0.8882517911E+02  0.2892527563E+03  0.1082750223E+03
 Hamiltonian kinetic energy K(r):  0.1326961326E+03
 Potential energy density V(r): -0.6190490903E+03
 Energy density E(r) or H(r): -0.1326961326E+03
 Laplacian of electron density:  0.1414627300E+04
 Electron localization function (ELF):  0.2551166875E-03
 Localized orbital locator (LOL):  0.1572324125E-01
 Local information entropy:  0.3307130799E-01
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1817124536E+01
 Sign(lambda2)*rho with promolecular approximation: -0.6746943671E+03
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.2278882989E-02
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.1293534962E+03
 Wavefunction value for orbital         1 : -0.5430846776E-05
 Average local ionization energy (ALIE):  0.3937882112E+01
 Delta-g (under promolecular approximation):  0.1514189757E-02
 Delta-g (under Hirshfeld partition):  0.7828926103E-04
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.6397009309E+03
 ESP from electrons: -0.8262019681E+02
 Total ESP:  0.5570807341E+03 a.u. ( 0.1515894E+05 eV, 0.3495737E+06 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.1287858709E-13  0.5861977570E-13 -0.1065814104E-13
 Norm of gradient is:  0.6095680502E-13
 
 Components of Laplacian in x/y/z are:
 -0.4701946238E+03  0.2171402075E+04 -0.2865801506E+03
 Total:  0.1414627300E+04
 
 Hessian matrix:
 -0.4701946238E+03 -0.1501787066E+02  0.1118492242E+02
 -0.1501787066E+02  0.2171402075E+04  0.4157971557E+02
  0.1118492242E+02  0.4157971557E+02 -0.2865801506E+03
 Eigenvalues of Hessian: -0.4709898590E+03 -0.2865712797E+03  0.2172188439E+04
 Eigenvectors(columns) of Hessian:
  0.9980519248E+00 -0.6213590742E-01 -0.5611095390E-02
  0.6648502443E-02  0.1650162293E-01  0.9998417344E+00
 -0.6203348127E-01 -0.9979312729E+00  0.1688258726E-01
 Determinant of Hessian:  0.2931849800E+09
 Ellipticity of electron density:    0.643535
 eta index:    0.216827
 
 ----------------   CP   135,     Type (3,-3)   ----------------
 Corresponding nucleus:    26(O )
 Position (Bohr):       -1.971170048462    2.625790831898    2.167517872923
 Position (Angstrom):   -1.043098268460    1.389508668838    1.147001062576
 Density of all electrons:  0.2788859231E+03
 Density of Alpha electrons:  0.1394429615E+03
 Density of Beta electrons:  0.1394429615E+03
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.5078765959E+02
 G(r) in X,Y,Z:  0.1947001373E+02  0.1513902552E+02  0.1617862034E+02
 Hamiltonian kinetic energy K(r):  0.2907698180E+06
 Potential energy density V(r): -0.2908206056E+06
 Energy density E(r) or H(r): -0.2907698180E+06
 Laplacian of electron density: -0.1162876121E+07
 Electron localization function (ELF):  0.9999977922E+00
 Localized orbital locator (LOL):  0.9985163420E+00
 Local information entropy: -0.1051071996E-01
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.2788859231E+03
 Sign(lambda2)*rho with promolecular approximation: -0.2923226235E+03
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.6676584744E-04
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.2352124139E+05
 Wavefunction value for orbital         1 :  0.3357040500E-04
 Average local ionization energy (ALIE):  0.1761479535E+02
 Delta-g (under promolecular approximation):  0.4665950977E-01
 Delta-g (under Hirshfeld partition):  0.6936180595E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4758517048E+06
 ESP from electrons: -0.6239809010E+02
 Total ESP:  0.4757893067E+06 a.u. ( 0.1294689E+08 eV, 0.2985625E+09 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.9600154005E-11 -0.1426636587E-10 -0.4971401069E-10
 Norm of gradient is:  0.5260394482E-10
 
 Components of Laplacian in x/y/z are:
 -0.3876149992E+06 -0.3876326861E+06 -0.3876284359E+06
 Total: -0.1162876121E+07
 
 Hessian matrix:
 -0.3876149992E+06  0.2157312080E+01 -0.5560538985E+01
  0.2157312080E+01 -0.3876326861E+06 -0.2366246916E+01
 -0.5560538985E+01 -0.2366246916E+01 -0.3876284359E+06
 Eigenvalues of Hessian: -0.3876337480E+06 -0.3876297782E+06 -0.3876125950E+06
 Eigenvectors(columns) of Hessian:
 -0.2235381405E-01  0.3732307355E+00 -0.9274692044E+00
 -0.9043400200E+00 -0.4030588270E+00 -0.1404019596E+00
 -0.4262269762E+00  0.8356089995E+00  0.3465373929E+00
 Determinant of Hessian: -0.5824204205E+17
 Ellipticity of electron density:    0.000010
 eta index:   -1.000055
 
 ----------------   CP   136,     Type (3,+1)   ----------------
 Position (Bohr):        0.128287015027    0.308868627189   -0.307136468137
 Position (Angstrom):    0.067886564807    0.163446238672   -0.162529619576
 Density of all electrons:  0.1243529471E+02
 Density of Alpha electrons:  0.6217647357E+01
 Density of Beta electrons:  0.6217647357E+01
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.2252440860E+03
 G(r) in X,Y,Z:  0.7801250112E+02  0.1041583297E+03  0.4307325511E+02
 Hamiltonian kinetic energy K(r):  0.2506155849E+03
 Potential energy density V(r): -0.4758596709E+03
 Energy density E(r) or H(r): -0.2506155849E+03
 Laplacian of electron density: -0.1014859958E+03
 Electron localization function (ELF):  0.4199229638E+00
 Localized orbital locator (LOL):  0.4597014063E+00
 Local information entropy:  0.1396655748E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho:  0.1243529471E+02
 Sign(lambda2)*rho with promolecular approximation: -0.1630134874E+02
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.2805174878E+01
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.1778534306E+02
 Wavefunction value for orbital         1 :  0.1953232183E-04
 Average local ionization energy (ALIE):  0.6941324954E+01
 Delta-g (under promolecular approximation):  0.1743480056E-02
 Delta-g (under Hirshfeld partition):  0.3126794552E-02
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.1760002562E+03
 ESP from electrons: -0.7987273838E+02
 Total ESP:  0.9612751779E+02 a.u. ( 0.2615763E+04 eV, 0.6032098E+05 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.7105427358E-14  0.2042810365E-13 -0.1065814104E-13
 Norm of gradient is:  0.2411204029E-13
 
 Components of Laplacian in x/y/z are:
 -0.2762028116E+02  0.1885019286E+03 -0.2623676433E+03
 Total: -0.1014859958E+03
 
 Hessian matrix:
 -0.2762028116E+02  0.5663242224E+01  0.3797329949E+03
  0.5663242224E+01  0.1885019286E+03 -0.6357901178E+01
  0.3797329949E+03 -0.6357901178E+01 -0.2623676433E+03
 Eigenvalues of Hessian: -0.5425513780E+03  0.1885906412E+03  0.2524747410E+03
 Eigenvectors(columns) of Hessian:
 -0.5935558019E+00 -0.2988781086E-02 -0.8047872869E+00
  0.1159657210E-01  0.9998575215E+00 -0.1226605845E-01
  0.8047092826E+00 -0.1661336395E-01 -0.5934365734E+00
 Determinant of Hessian: -0.2583324383E+08
 Ellipticity of electron density:   -3.876873
 eta index:    2.148933
 
 ----------------   CP   137,     Type (3,-3)   ----------------
 Corresponding nucleus:    27(C )
 Position (Bohr):       -4.286843518637    6.099092495905    4.053462519540
 Position (Angstrom):   -2.268499896770    3.227500756023    2.144999990590
 Density of all electrons:  0.1121786934E+03
 Density of Alpha electrons:  0.5608934669E+02
 Density of Beta electrons:  0.5608934669E+02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.5774727449E+01
 G(r) in X,Y,Z:  0.1882489959E+01  0.1978986173E+01  0.1913251317E+01
 Hamiltonian kinetic energy K(r):  0.6459349847E+05
 Potential energy density V(r): -0.6459927320E+05
 Energy density E(r) or H(r): -0.6459349847E+05
 Laplacian of electron density: -0.2583508950E+06
 Electron localization function (ELF):  0.9999994059E+00
 Localized orbital locator (LOL):  0.9992297868E+00
 Local information entropy:  0.3659251864E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1121786934E+03
 Sign(lambda2)*rho with promolecular approximation: -0.1213939355E+03
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1966410075E-04
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.2422781284E+04
 Wavefunction value for orbital         1 :  0.3986468846E-05
 Average local ionization energy (ALIE):  0.9490850276E+01
 Delta-g (under promolecular approximation):  0.3986869086E-01
 Delta-g (under Hirshfeld partition):  0.4886230064E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4237878346E+07
 ESP from electrons: -0.4455439738E+02
 Total ESP:  0.4237833791E+07 a.u. ( 0.1153173E+09 eV, 0.2659283E+10 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.3144634553E-10 -0.3315145380E-10 -0.3762738732E-10
 Norm of gradient is:  0.5919216006E-10
 
 Components of Laplacian in x/y/z are:
 -0.8611713882E+05 -0.8611674603E+05 -0.8611701012E+05
 Total: -0.2583508950E+06
 
 Hessian matrix:
 -0.8611713882E+05  0.2498028376E+00  0.9027982074E-01
  0.2498028376E+00 -0.8611674603E+05 -0.1052865129E+00
  0.9027982074E-01 -0.1052865129E+00 -0.8611701012E+05
 Eigenvalues of Hessian: -0.8611731420E+05 -0.8611696439E+05 -0.8611661639E+05
 Eigenvectors(columns) of Hessian:
 -0.8138579246E+00 -0.4160282147E+00  0.4056547832E+00
  0.4302063455E+00  0.3785332553E-01  0.9019365976E+00
  0.3905864550E+00 -0.9085635092E+00 -0.1481707489E+00
 Determinant of Hessian: -0.6386547505E+15
 Ellipticity of electron density:    0.000004
 eta index:   -1.000008
 
 ----------------   CP   138,     Type (3,-3)   ----------------
 Corresponding nucleus:    28(O )
 Position (Bohr):        2.966297075075    3.390938710477    0.958094382287
 Position (Angstrom):    1.569696812898    1.794407489153    0.507001713000
 Density of all electrons:  0.2787240087E+03
 Density of Alpha electrons:  0.1393620043E+03
 Density of Beta electrons:  0.1393620043E+03
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.5095823113E+02
 G(r) in X,Y,Z:  0.1965746401E+02  0.1499066176E+02  0.1631010536E+02
 Hamiltonian kinetic energy K(r):  0.2905735732E+06
 Potential energy density V(r): -0.2906245315E+06
 Energy density E(r) or H(r): -0.2905735732E+06
 Laplacian of electron density: -0.1162090460E+07
 Electron localization function (ELF):  0.9999977731E+00
 Localized orbital locator (LOL):  0.9985099271E+00
 Local information entropy: -0.9918141617E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.2787240087E+03
 Sign(lambda2)*rho with promolecular approximation: -0.2923274503E+03
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.2505354889E-03
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.2007729459E+05
 Wavefunction value for orbital         1 : -0.4178890999E-04
 Average local ionization energy (ALIE):  0.1763373314E+02
 Delta-g (under promolecular approximation):  0.4609094224E-01
 Delta-g (under Hirshfeld partition):  0.6856557359E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.5093648315E+06
 ESP from electrons: -0.6182088415E+02
 Total ESP:  0.5093030106E+06 a.u. ( 0.1385884E+08 eV, 0.3195927E+09 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.3232553114E-10 -0.6793676732E-10 -0.6949996134E-13
 Norm of gradient is:  0.7523529191E-10
 
 Components of Laplacian in x/y/z are:
 -0.3873525206E+06 -0.3873718259E+06 -0.3873661134E+06
 Total: -0.1162090460E+07
 
 Hessian matrix:
 -0.3873525206E+06  0.3902464243E+01 -0.3685337265E+01
  0.3902464243E+01 -0.3873718259E+06 -0.1312421268E+01
 -0.3685337265E+01 -0.1312421268E+01 -0.3873661134E+06
 Eigenvalues of Hessian: -0.3873726437E+06 -0.3873670317E+06 -0.3873507845E+06
 Eigenvectors(columns) of Hessian:
 -0.1717382758E+00  0.2591793384E+00  0.9504378123E+00
  0.9800494625E+00 -0.5302761989E-01  0.1915492692E+00
  0.1000450679E+00  0.9643724084E+00 -0.2449016993E+00
 Determinant of Hessian: -0.5812407349E+17
 Ellipticity of electron density:    0.000014
 eta index:   -1.000056
 
 ----------------   CP   139,     Type (3,-3)   ----------------
 Corresponding nucleus:  Unknown
 Position (Bohr):        0.705382080987    0.515778666103   -0.870317961897
 Position (Angstrom):    0.373272122238    0.272938315972   -0.460552431675
 Density of all electrons:  0.1625004921E+02
 Density of Alpha electrons:  0.8125024604E+01
 Density of Beta electrons:  0.8125024604E+01
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.1307286032E+03
 G(r) in X,Y,Z:  0.3353247188E+02  0.4818134491E+02  0.4901478640E+02
 Hamiltonian kinetic energy K(r):  0.4021953766E+03
 Potential energy density V(r): -0.5329239798E+03
 Energy density E(r) or H(r): -0.4021953766E+03
 Laplacian of electron density: -0.1085867094E+04
 Electron localization function (ELF):  0.8398200658E+00
 Localized orbital locator (LOL):  0.6960260374E+00
 Local information entropy:  0.1667575886E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1625004921E+02
 Sign(lambda2)*rho with promolecular approximation: -0.1690440873E+02
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.3865650597E-04
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.7006414005E+02
 Wavefunction value for orbital         1 :  0.2976945092E-05
 Average local ionization energy (ALIE):  0.5303056150E+01
 Delta-g (under promolecular approximation):  0.1881656634E-02
 Delta-g (under Hirshfeld partition):  0.4649096694E-02
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.1802152023E+03
 ESP from electrons: -0.8029534966E+02
 Total ESP:  0.9991985267E+02 a.u. ( 0.2718957E+04 eV, 0.6270071E+05 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.1776356839E-13 -0.1154631946E-13 -0.7993605777E-14
 Norm of gradient is:  0.2264419547E-13
 
 Components of Laplacian in x/y/z are:
 -0.4108176267E+03 -0.3385672573E+03 -0.3364822098E+03
 Total: -0.1085867094E+04
 
 Hessian matrix:
 -0.4108176267E+03 -0.1485100650E+03  0.1440069675E+03
 -0.1485100650E+03 -0.3385672573E+03  0.4990915210E+02
  0.1440069675E+03  0.4990915210E+02 -0.3364822098E+03
 Eigenvalues of Hessian: -0.6063255293E+03 -0.2876081280E+03 -0.1919334366E+03
 Eigenvectors(columns) of Hessian:
  0.7267757033E+00  0.3352941545E-02 -0.6868666791E+00
  0.4923702879E+00  0.6946999021E+00  0.5243696650E+00
 -0.4789243956E+00  0.7192918766E+00 -0.5032401212E+00
 Determinant of Hessian: -0.3347014928E+08
 Ellipticity of electron density:    1.108165
 eta index:   -3.159041
 
 ----------------   CP   140,     Type (3,-3)   ----------------
 Corresponding nucleus:  Unknown
 Position (Bohr):        0.059008718237    0.499898885250   -0.472199760746
 Position (Angstrom):    0.031226068936    0.264535097830   -0.249877352381
 Density of all electrons:  0.1605663815E+02
 Density of Alpha electrons:  0.8028319073E+01
 Density of Beta electrons:  0.8028319073E+01
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.1307203454E+03
 G(r) in X,Y,Z:  0.2897134323E+02  0.5044738202E+02  0.5130162013E+02
 Hamiltonian kinetic energy K(r):  0.3937850511E+03
 Potential energy density V(r): -0.5245053965E+03
 Energy density E(r) or H(r): -0.3937850511E+03
 Laplacian of electron density: -0.1052258823E+04
 Electron localization function (ELF):  0.8343953889E+00
 Localized orbital locator (LOL):  0.6918009058E+00
 Local information entropy:  0.1654693870E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1605663815E+02
 Sign(lambda2)*rho with promolecular approximation: -0.1686947860E+02
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.3492102864E-03
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.1213243614E+03
 Wavefunction value for orbital         1 :  0.1202920205E-04
 Average local ionization energy (ALIE):  0.5367143682E+01
 Delta-g (under promolecular approximation):  0.1892577287E-02
 Delta-g (under Hirshfeld partition):  0.4478880177E-02
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.1799442796E+03
 ESP from electrons: -0.8022064609E+02
 Total ESP:  0.9972363348E+02 a.u. ( 0.2713618E+04 eV, 0.6257758E+05 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.1421085472E-13 -0.1421085472E-13  0.3730349363E-13
 Norm of gradient is:  0.4237272024E-13
 
 Components of Laplacian in x/y/z are:
 -0.4304035498E+03 -0.3172629466E+03 -0.3045923264E+03
 Total: -0.1052258823E+04
 
 Hessian matrix:
 -0.4304035498E+03  0.1467660739E+03  0.1499239835E+03
  0.1467660739E+03 -0.3172629466E+03 -0.3798179461E+02
  0.1499239835E+03 -0.3798179461E+02 -0.3045923264E+03
 Eigenvalues of Hessian: -0.6033846020E+03 -0.2733383542E+03 -0.1755358666E+03
 Eigenvectors(columns) of Hessian:
  0.7714930215E+00 -0.4650090500E-01  0.6345361956E+00
 -0.4547993979E+00 -0.7377384009E+00  0.4988983459E+00
 -0.4449224937E+00  0.6734832720E+00  0.5903086116E+00
 Determinant of Hessian: -0.2895080645E+08
 Ellipticity of electron density:    1.207464
 eta index:   -3.437386
 
 ----------------   CP   141,     Type (3,-1)   ----------------
 Position (Bohr):        0.779347394220    0.310413167019   -0.868808759588
 Position (Angstrom):    0.412412880398    0.164263573950   -0.459753796207
 Density of all electrons:  0.1406389700E+02
 Density of Alpha electrons:  0.7031948502E+01
 Density of Beta electrons:  0.7031948502E+01
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.1761593598E+03
 G(r) in X,Y,Z:  0.1457611309E+02  0.1158980676E+03  0.4568517905E+02
 Hamiltonian kinetic energy K(r):  0.3137025834E+03
 Potential energy density V(r): -0.4898619431E+03
 Energy density E(r) or H(r): -0.3137025834E+03
 Laplacian of electron density: -0.5501728945E+03
 Electron localization function (ELF):  0.6407779673E+00
 Localized orbital locator (LOL):  0.5718421918E+00
 Local information entropy:  0.1516857457E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1406389700E+02
 Sign(lambda2)*rho with promolecular approximation: -0.1656026453E+02
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.4907561507E-01
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.3625150835E+02
 Wavefunction value for orbital         1 : -0.2616739254E-07
 Average local ionization energy (ALIE):  0.6130540815E+01
 Delta-g (under promolecular approximation):  0.1849469593E-02
 Delta-g (under Hirshfeld partition):  0.3869666549E-02
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.1778561169E+03
 ESP from electrons: -0.8002221796E+02
 Total ESP:  0.9783389893E+02 a.u. ( 0.2662196E+04 eV, 0.6139175E+05 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.1421085472E-13 -0.2309263891E-13 -0.2042810365E-13
 Norm of gradient is:  0.3394887012E-13
 
 Components of Laplacian in x/y/z are:
 -0.4866430513E+03  0.2152180722E+03 -0.2787479155E+03
 Total: -0.5501728945E+03
 
 Hessian matrix:
 -0.4866430513E+03 -0.1912005117E+02  0.1533981056E+03
 -0.1912005117E+02  0.2152180722E+03 -0.1020966413E+02
  0.1533981056E+03 -0.1020966413E+02 -0.2787479155E+03
 Eigenvalues of Hessian: -0.5681827949E+03 -0.1981766085E+03  0.2161865088E+03
 Eigenvectors(columns) of Hessian:
 -0.8836958614E+00 -0.4668271577E+00 -0.3397100802E-01
 -0.1547122363E-01 -0.4340592583E-01  0.9989377192E+00
  0.4678057992E+00 -0.8832827013E+00 -0.3113524967E-01
 Determinant of Hessian:  0.2434271748E+08
 Ellipticity of electron density:    1.867053
 eta index:    2.628207
 
 ----------------   CP   142,     Type (3,-3)   ----------------
 Corresponding nucleus:  Unknown
 Position (Bohr):        0.062454506286    0.114028231828   -0.867473410190
 Position (Angstrom):    0.033049501445    0.060341141683   -0.459047159737
 Density of all electrons:  0.1613272174E+02
 Density of Alpha electrons:  0.8066360869E+01
 Density of Beta electrons:  0.8066360869E+01
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.1302387776E+03
 G(r) in X,Y,Z:  0.2906734349E+02  0.5216681413E+02  0.4900461994E+02
 Hamiltonian kinetic energy K(r):  0.3973887387E+03
 Potential energy density V(r): -0.5276275162E+03
 Energy density E(r) or H(r): -0.3973887387E+03
 Laplacian of electron density: -0.1068599845E+04
 Electron localization function (ELF):  0.8375680457E+00
 Localized orbital locator (LOL):  0.6942621827E+00
 Local information entropy:  0.1659771383E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1613272174E+02
 Sign(lambda2)*rho with promolecular approximation: -0.1688354429E+02
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.5128554537E-01
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.9694500754E+02
 Wavefunction value for orbital         1 : -0.2950238756E-05
 Average local ionization energy (ALIE):  0.5343467616E+01
 Delta-g (under promolecular approximation):  0.1655161966E-02
 Delta-g (under Hirshfeld partition):  0.4075380827E-02
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.1799079306E+03
 ESP from electrons: -0.8010085347E+02
 Total ESP:  0.9980707709E+02 a.u. ( 0.2715889E+04 eV, 0.6262994E+05 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.1021405183E-13 -0.3730349363E-13 -0.8881784197E-15
 Norm of gradient is:  0.3868677232E-13
 
 Components of Laplacian in x/y/z are:
 -0.4324542066E+03 -0.3054040856E+03 -0.3307415523E+03
 Total: -0.1068599845E+04
 
 Hessian matrix:
 -0.4324542066E+03 -0.1441023776E+03 -0.1425943243E+03
 -0.1441023776E+03 -0.3054040856E+03 -0.4467301985E+02
 -0.1425943243E+03 -0.4467301985E+02 -0.3307415523E+03
 Eigenvalues of Hessian: -0.6034633339E+03 -0.2745380009E+03 -0.1905985097E+03
 Eigenvectors(columns) of Hessian:
 -0.7641188387E+00 -0.9720780832E-01  0.6377092145E+00
 -0.4401134820E+00 -0.6441940379E+00 -0.6255510886E+00
 -0.4716169242E+00  0.7586597943E+00 -0.4494583332E+00
 Determinant of Hessian: -0.3157714456E+08
 Ellipticity of electron density:    1.198105
 eta index:   -3.166149
 
 ----------------   CP   143,     Type (3,-1)   ----------------
 Position (Bohr):        0.776230885970    0.514585688639   -0.665212736792
 Position (Angstrom):    0.410763695254    0.272307019485   -0.352015420712
 Density of all electrons:  0.1403122591E+02
 Density of Alpha electrons:  0.7015612953E+01
 Density of Beta electrons:  0.7015612953E+01
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.1796706882E+03
 G(r) in X,Y,Z:  0.1556660073E+02  0.4604268226E+02  0.1180614052E+03
 Hamiltonian kinetic energy K(r):  0.3124341716E+03
 Potential energy density V(r): -0.4921048598E+03
 Energy density E(r) or H(r): -0.3124341716E+03
 Laplacian of electron density: -0.5310539334E+03
 Electron localization function (ELF):  0.6298367627E+00
 Localized orbital locator (LOL):  0.5660512912E+00
 Local information entropy:  0.1514516085E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1403122591E+02
 Sign(lambda2)*rho with promolecular approximation: -0.1655460282E+02
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1666076427E+00
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.3692491533E+02
 Wavefunction value for orbital         1 :  0.2827021977E-06
 Average local ionization energy (ALIE):  0.6140748900E+01
 Delta-g (under promolecular approximation):  0.1964042276E-02
 Delta-g (under Hirshfeld partition):  0.4035141435E-02
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.1778569337E+03
 ESP from electrons: -0.8006941974E+02
 Total ESP:  0.9778751391E+02 a.u. ( 0.2660934E+04 eV, 0.6136264E+05 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.8437694987E-14 -0.1509903313E-13  0.3552713679E-14
 Norm of gradient is:  0.1765778222E-13
 
 Components of Laplacian in x/y/z are:
 -0.4791629820E+03 -0.2755971643E+03  0.2237062129E+03
 Total: -0.5310539334E+03
 
 Hessian matrix:
 -0.4791629820E+03 -0.1604050077E+03  0.1190117952E+02
 -0.1604050077E+03 -0.2755971643E+03 -0.1713756033E+02
  0.1190117952E+02 -0.1713756033E+02  0.2237062129E+03
 Eigenvalues of Hessian: -0.5673584850E+03 -0.1884523833E+03  0.2247569349E+03
 Eigenvectors(columns) of Hessian:
 -0.8763615820E+00 -0.4809173057E+00  0.2662560094E-01
 -0.4816459431E+00  0.8753229181E+00 -0.4274312281E-01
  0.2750091250E-02  0.5028254341E-01  0.9987312465E+00
 Determinant of Hessian:  0.2403102467E+08
 Ellipticity of electron density:    2.010620
 eta index:    2.524320
 
 ----------------   CP   144,     Type (3,-3)   ----------------
 Corresponding nucleus:    29(H )
 Position (Bohr):        5.095267484574    8.693197712752    2.333507366701
 Position (Angstrom):    2.696299436292    4.600242119462    1.234838919932
 Density of all electrons:  0.3797697270E+00
 Density of Alpha electrons:  0.1898848635E+00
 Density of Beta electrons:  0.1898848635E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.8778070499E-02
 G(r) in X,Y,Z:  0.3357497940E-02  0.3222984244E-02  0.2197588314E-02
 Hamiltonian kinetic energy K(r):  0.3065964183E+01
 Potential energy density V(r): -0.3074742253E+01
 Energy density E(r) or H(r): -0.3065964183E+01
 Laplacian of electron density: -0.1222874445E+02
 Electron localization function (ELF):  0.9997638727E+00
 Localized orbital locator (LOL):  0.9848813224E+00
 Local information entropy:  0.9065751547E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.3797697270E+00
 Sign(lambda2)*rho with promolecular approximation: -0.2850371756E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.6000244884E-04
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.9408564354E-01
 Wavefunction value for orbital         1 :  0.1256755260E-05
 Average local ionization energy (ALIE):  0.4466089428E+00
 Delta-g (under promolecular approximation):  0.1176706777E+00
 Delta-g (under Hirshfeld partition):  0.2291593857E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4875419051E+02
 ESP from electrons: -0.2925325251E+02
 Total ESP:  0.1950093800E+02 a.u. ( 0.5306475E+03 eV, 0.1223703E+05 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.1741228689E-14  0.1790234627E-14 -0.6366435157E-15
 Norm of gradient is:  0.2577233465E-14
 
 Components of Laplacian in x/y/z are:
 -0.4208931488E+01 -0.4130355906E+01 -0.3889457054E+01
 Total: -0.1222874445E+02
 
 Hessian matrix:
 -0.4208931488E+01  0.8617650280E-01  0.1442292932E+00
  0.8617650280E-01 -0.4130355906E+01  0.2237115280E+00
  0.1442292932E+00  0.2237115280E+00 -0.3889457054E+01
 Eigenvalues of Hessian: -0.4264434384E+01 -0.4263982102E+01 -0.3700327962E+01
 Eigenvectors(columns) of Hessian:
 -0.9485188684E+00  0.4384829194E-01  0.3136706610E+00
  0.2003274833E+00  0.8501561265E+00  0.4869327059E+00
  0.2453178667E+00 -0.5247017133E+00  0.8151731450E+00
 Determinant of Hessian: -0.6728480948E+02
 Ellipticity of electron density:    0.000106
 eta index:   -1.152448
 
 ----------------   CP   145,     Type (3,-3)   ----------------
 Corresponding nucleus:    30(H )
 Position (Bohr):        3.747577026909    9.071559978414   -0.593952142664
 Position (Angstrom):    1.983132358744    4.800462807916   -0.314305938265
 Density of all electrons:  0.3792159583E+00
 Density of Alpha electrons:  0.1896079792E+00
 Density of Beta electrons:  0.1896079792E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.8669730478E-02
 G(r) in X,Y,Z:  0.3080881469E-02  0.2782658683E-02  0.2806190325E-02
 Hamiltonian kinetic energy K(r):  0.3049477093E+01
 Potential energy density V(r): -0.3058146824E+01
 Energy density E(r) or H(r): -0.3049477093E+01
 Laplacian of electron density: -0.1216322945E+02
 Electron localization function (ELF):  0.9997685346E+00
 Localized orbital locator (LOL):  0.9850293099E+00
 Local information entropy:  0.9054537088E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.3792159583E+00
 Sign(lambda2)*rho with promolecular approximation: -0.2847853013E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.5216828538E-04
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.9843454815E-01
 Wavefunction value for orbital         1 :  0.1053967935E-04
 Average local ionization energy (ALIE):  0.4458085086E+00
 Delta-g (under promolecular approximation):  0.1189269052E+00
 Delta-g (under Hirshfeld partition):  0.2327856605E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.5026178277E+02
 ESP from electrons: -0.3093971916E+02
 Total ESP:  0.1932206361E+02 a.u. ( 0.5257801E+03 eV, 0.1212479E+05 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.4198030812E-15  0.1946359740E-14 -0.2428612866E-16
 Norm of gradient is:  0.1991266100E-14
 
 Components of Laplacian in x/y/z are:
 -0.4173632736E+01 -0.3981759957E+01 -0.4007836759E+01
 Total: -0.1216322945E+02
 
 Hessian matrix:
 -0.4173632736E+01 -0.1396404129E+00  0.1328581680E+00
 -0.1396404129E+00 -0.3981759957E+01 -0.2510920589E+00
  0.1328581680E+00 -0.2510920589E+00 -0.4007836759E+01
 Eigenvalues of Hessian: -0.4247378873E+01 -0.4246197288E+01 -0.3669653290E+01
 Eigenvectors(columns) of Hessian:
  0.9215234717E+00  0.1522919852E+00  0.3572137209E+00
  0.1432749867E+00  0.7216445077E+00 -0.6772750421E+00
 -0.3609248805E+00  0.6753046392E+00  0.6431927199E+00
 Determinant of Hessian: -0.6618296278E+02
 Ellipticity of electron density:    0.000278
 eta index:   -1.157433
 
 ----------------   CP   146,     Type (3,-3)   ----------------
 Corresponding nucleus:  Unknown
 Position (Bohr):        0.388830622597    0.308424681571   -0.237535157074
 Position (Angstrom):    0.205760304379    0.163211312767   -0.125698191912
 Density of all electrons:  0.1761457326E+02
 Density of Alpha electrons:  0.8807286632E+01
 Density of Beta electrons:  0.8807286632E+01
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.1455223679E+03
 G(r) in X,Y,Z:  0.6094692311E+02  0.8003050968E+02  0.4544935104E+01
 Hamiltonian kinetic energy K(r):  0.4587370890E+03
 Potential energy density V(r): -0.6042594569E+03
 Energy density E(r) or H(r): -0.4587370890E+03
 Laplacian of electron density: -0.1252858885E+04
 Electron localization function (ELF):  0.8469978273E+00
 Localized orbital locator (LOL):  0.7017453784E+00
 Local information entropy:  0.1756143775E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1761457326E+02
 Sign(lambda2)*rho with promolecular approximation: -0.1712760950E+02
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1578329436E+01
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.1812002668E+03
 Wavefunction value for orbital         1 :  0.1337030565E-04
 Average local ionization energy (ALIE):  0.4900417147E+01
 Delta-g (under promolecular approximation):  0.1752960712E-02
 Delta-g (under Hirshfeld partition):  0.4701407022E-02
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.1817254155E+03
 ESP from electrons: -0.8061022467E+02
 Total ESP:  0.1011151908E+03 a.u. ( 0.2751484E+04 eV, 0.6345079E+05 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.3552713679E-14 -0.1598721155E-13  0.1265654248E-13
 Norm of gradient is:  0.2069784470E-13
 
 Components of Laplacian in x/y/z are:
 -0.3939588321E+03 -0.2234258399E+03 -0.6354742125E+03
 Total: -0.1252858885E+04
 
 Hessian matrix:
 -0.3939588321E+03 -0.6291024072E+01  0.1923316782E+01
 -0.6291024072E+01 -0.2234258399E+03 -0.4542704010E+01
  0.1923316782E+01 -0.4542704010E+01 -0.6354742125E+03
 Eigenvalues of Hessian: -0.6355385203E+03 -0.3941778407E+03 -0.2231425236E+03
 Eigenvectors(columns) of Hessian:
 -0.7676735633E-02  0.9992884551E+00 -0.3692764854E-01
  0.1090479795E-01  0.3701019944E-01  0.9992553880E+00
  0.9999110726E+00  0.7268330898E-02 -0.1118115621E-01
 Determinant of Hessian: -0.5590059428E+08
 Ellipticity of electron density:    0.612314
 eta index:   -2.848128
 
 ----------------   CP   147,     Type (3,-3)   ----------------
 Corresponding nucleus:    31(H )
 Position (Bohr):        6.050102906642    6.797482321841   -0.143406223962
 Position (Angstrom):    3.201576581813    3.597072736234   -0.075887305622
 Density of all electrons:  0.3841598530E+00
 Density of Alpha electrons:  0.1920799265E+00
 Density of Beta electrons:  0.1920799265E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.8380791706E-02
 G(r) in X,Y,Z:  0.2478817950E-02  0.2737776542E-02  0.3164197214E-02
 Hamiltonian kinetic energy K(r):  0.3087260571E+01
 Potential energy density V(r): -0.3095641362E+01
 Energy density E(r) or H(r): -0.3087260571E+01
 Laplacian of electron density: -0.1231551912E+02
 Electron localization function (ELF):  0.9997928243E+00
 Localized orbital locator (LOL):  0.9858258604E+00
 Local information entropy:  0.9154553508E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.3841598530E+00
 Sign(lambda2)*rho with promolecular approximation: -0.2851534821E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.2604367230E-06
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.1076834169E+00
 Wavefunction value for orbital         1 : -0.5503139515E-05
 Average local ionization energy (ALIE):  0.4408435401E+00
 Delta-g (under promolecular approximation):  0.1200725347E+00
 Delta-g (under Hirshfeld partition):  0.2372833949E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.5166533117E+02
 ESP from electrons: -0.3201737204E+02
 Total ESP:  0.1964795913E+02 a.u. ( 0.5346482E+03 eV, 0.1232929E+05 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.1081600087E-14 -0.9419548475E-15  0.3382710778E-16
 Norm of gradient is:  0.1434671376E-14
 
 Components of Laplacian in x/y/z are:
 -0.3939861894E+01 -0.4176551689E+01 -0.4199105534E+01
 Total: -0.1231551912E+02
 
 Hessian matrix:
 -0.3939861894E+01 -0.2107876802E+00 -0.1902273908E+00
 -0.2107876802E+00 -0.4176551689E+01  0.1116565028E+00
 -0.1902273908E+00  0.1116565028E+00 -0.4199105534E+01
 Eigenvalues of Hessian: -0.4300109369E+01 -0.4299608883E+01 -0.3715800863E+01
 Eigenvectors(columns) of Hessian:
  0.2077781327E+00 -0.5835953653E+00 -0.7850125459E+00
  0.8268133462E+00 -0.3240524215E+00  0.4597496261E+00
 -0.5226929674E+00 -0.7445847687E+00  0.4151934297E+00
 Determinant of Hessian: -0.6870065606E+02
 Ellipticity of electron density:    0.000116
 eta index:   -1.157250
 
 ----------------   CP   148,     Type (3,-3)   ----------------
 Corresponding nucleus:    32(H )
 Position (Bohr):       -0.112416403945    8.565441277127    2.646033695279
 Position (Angstrom):   -0.059488199100    4.532636325184    1.400220730823
 Density of all electrons:  0.3926040167E+00
 Density of Alpha electrons:  0.1963020084E+00
 Density of Beta electrons:  0.1963020084E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.8091417247E-02
 G(r) in X,Y,Z:  0.2858646014E-02  0.1796496495E-02  0.3436274738E-02
 Hamiltonian kinetic energy K(r):  0.3186949112E+01
 Potential energy density V(r): -0.3195040530E+01
 Energy density E(r) or H(r): -0.3186949112E+01
 Laplacian of electron density: -0.1271543078E+02
 Electron localization function (ELF):  0.9998203650E+00
 Localized orbital locator (LOL):  0.9867893987E+00
 Local information entropy:  0.9324849854E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.3926040167E+00
 Sign(lambda2)*rho with promolecular approximation: -0.2854435179E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1533975917E-05
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.1128612194E+00
 Wavefunction value for orbital         1 :  0.5910212014E-05
 Average local ionization energy (ALIE):  0.4582580080E+00
 Delta-g (under promolecular approximation):  0.1223764824E+00
 Delta-g (under Hirshfeld partition):  0.2477752411E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.5228752950E+02
 ESP from electrons: -0.3300979508E+02
 Total ESP:  0.1927773442E+02 a.u. ( 0.5245738E+03 eV, 0.1209697E+05 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.2688821388E-16 -0.2392183673E-14 -0.3486794187E-15
 Norm of gradient is:  0.2417611019E-14
 
 Components of Laplacian in x/y/z are:
 -0.4441024296E+01 -0.3876981668E+01 -0.4397424815E+01
 Total: -0.1271543078E+02
 
 Hessian matrix:
 -0.4441024296E+01 -0.4694393692E-01 -0.1175698058E-01
 -0.4694393692E-01 -0.3876981668E+01  0.1588724524E+00
 -0.1175698058E-01  0.1588724524E+00 -0.4397424815E+01
 Eigenvalues of Hessian: -0.4445418791E+01 -0.4441515472E+01 -0.3828496517E+01
 Eigenvectors(columns) of Hessian:
 -0.9206615568E+00  0.3823401118E+00 -0.7872951635E-01
 -0.1737333475E+00 -0.2207191727E+00  0.9597394286E+00
  0.3495697667E+00  0.8972731389E+00  0.2696328847E+00
 Determinant of Hessian: -0.7559135262E+02
 Ellipticity of electron density:    0.000879
 eta index:   -1.161140
 
 ----------------   CP   149,     Type (3,-3)   ----------------
 Corresponding nucleus:    33(H )
 Position (Bohr):       -3.773774310063    7.274412567399    5.592390942293
 Position (Angstrom):   -1.996995363977    3.849453353374    2.959365841122
 Density of all electrons:  0.3831234052E+00
 Density of Alpha electrons:  0.1915617026E+00
 Density of Beta electrons:  0.1915617026E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.8696046308E-02
 G(r) in X,Y,Z:  0.3152334334E-02  0.3082391026E-02  0.2461320949E-02
 Hamiltonian kinetic energy K(r):  0.3093277537E+01
 Potential energy density V(r): -0.3101973583E+01
 Energy density E(r) or H(r): -0.3093277537E+01
 Laplacian of electron density: -0.1233832596E+02
 Electron localization function (ELF):  0.9997749505E+00
 Localized orbital locator (LOL):  0.9852351620E+00
 Local information entropy:  0.9133605068E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.3831234052E+00
 Sign(lambda2)*rho with promolecular approximation: -0.2853273763E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.2995370179E-04
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.9896357628E-01
 Wavefunction value for orbital         1 :  0.2112113838E-04
 Average local ionization energy (ALIE):  0.4339342875E+00
 Delta-g (under promolecular approximation):  0.1188206834E+00
 Delta-g (under Hirshfeld partition):  0.2331358312E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4905867159E+02
 ESP from electrons: -0.2963785897E+02
 Total ESP:  0.1942081263E+02 a.u. ( 0.5284672E+03 eV, 0.1218675E+05 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.3868433351E-15 -0.1526556659E-15  0.1743397093E-15
 Norm of gradient is:  0.4509388567E-15
 
 Components of Laplacian in x/y/z are:
 -0.4269651226E+01 -0.4109246730E+01 -0.3959428006E+01
 Total: -0.1233832596E+02
 
 Hessian matrix:
 -0.4269651226E+01  0.8030407992E-01  0.1071920088E+00
  0.8030407992E-01 -0.4109246730E+01  0.2575504619E+00
  0.1071920088E+00  0.2575504619E+00 -0.3959428006E+01
 Eigenvalues of Hessian: -0.4303086962E+01 -0.4302533823E+01 -0.3732705177E+01
 Eigenvectors(columns) of Hessian:
 -0.9465779474E+00 -0.2131063314E+00  0.2420245463E+00
 -0.3393691976E-01  0.8121853439E+00  0.5824115835E+00
  0.3206843853E+00 -0.5430843937E+00  0.7760289082E+00
 Determinant of Hessian: -0.6910796507E+02
 Ellipticity of electron density:    0.000129
 eta index:   -1.152807
 
 ----------------   CP   150,     Type (3,-3)   ----------------
 Corresponding nucleus:    34(H )
 Position (Bohr):       -5.443706323170    4.611151358962    4.709898617109
 Position (Angstrom):   -2.880685329070    2.440116215187    2.492371013838
 Density of all electrons:  0.3809777200E+00
 Density of Alpha electrons:  0.1904888600E+00
 Density of Beta electrons:  0.1904888600E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.8211486898E-02
 G(r) in X,Y,Z:  0.2802616879E-02  0.2236528881E-02  0.3172341138E-02
 Hamiltonian kinetic energy K(r):  0.3046544122E+01
 Potential energy density V(r): -0.3054755608E+01
 Energy density E(r) or H(r): -0.3046544122E+01
 Laplacian of electron density: -0.1215333054E+02
 Electron localization function (ELF):  0.9997955081E+00
 Localized orbital locator (LOL):  0.9859170289E+00
 Local information entropy:  0.9090204663E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.3809777200E+00
 Sign(lambda2)*rho with promolecular approximation: -0.2845396349E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.6518947142E-06
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.1131323399E+00
 Wavefunction value for orbital         1 :  0.2014677513E-04
 Average local ionization energy (ALIE):  0.4233688185E+00
 Delta-g (under promolecular approximation):  0.1206737022E+00
 Delta-g (under Hirshfeld partition):  0.2387964431E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.5106416794E+02
 ESP from electrons: -0.3204876885E+02
 Total ESP:  0.1901539909E+02 a.u. ( 0.5174353E+03 eV, 0.1193235E+05 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.7732529894E-15  0.1439820485E-14  0.7949370329E-15
 Norm of gradient is:  0.1817395967E-14
 
 Components of Laplacian in x/y/z are:
 -0.4049183810E+01 -0.3918896848E+01 -0.4185249880E+01
 Total: -0.1215333054E+02
 
 Hessian matrix:
 -0.4049183810E+01  0.2575720190E+00 -0.1141270159E+00
  0.2575720190E+00 -0.3918896848E+01 -0.1468721921E+00
 -0.1141270159E+00 -0.1468721921E+00 -0.4185249880E+01
 Eigenvalues of Hessian: -0.4250334502E+01 -0.4249677127E+01 -0.3653318909E+01
 Eigenvectors(columns) of Hessian:
 -0.1168458659E-01  0.8146577216E+00 -0.5798243416E+00
  0.4126882651E+00 -0.5242457116E+00 -0.7448857830E+00
  0.9107973794E+00  0.2479903840E+00  0.3300740874E+00
 Determinant of Hessian: -0.6598825297E+02
 Ellipticity of electron density:    0.000155
 eta index:   -1.163417
 
 ----------------   CP   151,     Type (3,-3)   ----------------
 Corresponding nucleus:    35(H )
 Position (Bohr):       -5.334871324190    7.203436414776    2.745188073782
 Position (Angstrom):   -2.823092327861    3.811894390888    1.452690968288
 Density of all electrons:  0.3780499429E+00
 Density of Alpha electrons:  0.1890249715E+00
 Density of Beta electrons:  0.1890249715E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.8747983487E-02
 G(r) in X,Y,Z:  0.2999541950E-02  0.3111782184E-02  0.2636659352E-02
 Hamiltonian kinetic energy K(r):  0.3049284976E+01
 Potential energy density V(r): -0.3058032959E+01
 Energy density E(r) or H(r): -0.3049284976E+01
 Laplacian of electron density: -0.1216214797E+02
 Electron localization function (ELF):  0.9997619122E+00
 Localized orbital locator (LOL):  0.9848196847E+00
 Local information entropy:  0.9030914339E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.3780499429E+00
 Sign(lambda2)*rho with promolecular approximation: -0.2848693317E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.2644168145E-04
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.1032379963E+00
 Wavefunction value for orbital         1 : -0.6415152422E-04
 Average local ionization energy (ALIE):  0.4347440880E+00
 Delta-g (under promolecular approximation):  0.1178483707E+00
 Delta-g (under Hirshfeld partition):  0.2291419510E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4990599655E+02
 ESP from electrons: -0.3042220556E+02
 Total ESP:  0.1948379099E+02 a.u. ( 0.5301809E+03 eV, 0.1222627E+05 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.1093743152E-14 -0.9506284648E-15 -0.7155734338E-15
 Norm of gradient is:  0.1616172608E-14
 
 Components of Laplacian in x/y/z are:
 -0.4081044010E+01 -0.4072454632E+01 -0.4008649327E+01
 Total: -0.1216214797E+02
 
 Hessian matrix:
 -0.4081044010E+01 -0.1660176823E+00  0.1947961113E+00
 -0.1660176823E+00 -0.4072454632E+01 -0.1996096690E+00
  0.1947961113E+00 -0.1996096690E+00 -0.4008649327E+01
 Eigenvalues of Hessian: -0.4242986766E+01 -0.4242675483E+01 -0.3676485720E+01
 Eigenvectors(columns) of Hessian:
  0.8181691456E+00 -0.2115631316E+00  0.5346403375E+00
  0.1453526524E+00 -0.8235400626E+00 -0.5483195890E+00
 -0.5563019464E+00 -0.5263295608E+00  0.6430438071E+00
 Determinant of Hessian: -0.6618268390E+02
 Ellipticity of electron density:    0.000073
 eta index:   -1.154088
 
 ----------------   CP   152,     Type (3,-3)   ----------------
 Corresponding nucleus:    36(S )
 Position (Bohr):       -3.523205299385   -0.755514147281    7.229714341621
 Position (Angstrom):   -1.864399953767   -0.399800869256    3.825800070924
 Density of all electrons:  0.2415305978E+04
 Density of Alpha electrons:  0.1207652989E+04
 Density of Beta electrons:  0.1207652989E+04
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.8539273209E+04
 G(r) in X,Y,Z:  0.2854607203E+04  0.2821407257E+04  0.2863258749E+04
 Hamiltonian kinetic energy K(r):  0.1018196156E+08
 Potential energy density V(r): -0.1019050083E+08
 Energy density E(r) or H(r): -0.1018196156E+08
 Laplacian of electron density: -0.4069368915E+08
 Electron localization function (ELF):  0.9999532146E+00
 Localized orbital locator (LOL):  0.9932063234E+00
 Local information entropy: -0.1898273322E+02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.2415305978E+04
 Sign(lambda2)*rho with promolecular approximation: -0.2661049705E+04
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1410007237E-04
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.4008837629E+06
 Wavefunction value for orbital         1 :  0.3333114221E+02
 Average local ionization energy (ALIE):  0.8148482524E+02
 Delta-g (under promolecular approximation):  0.1256063047E-01
 Delta-g (under Hirshfeld partition):  0.5719879888E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.9724885266E+07
 ESP from electrons: -0.8692937707E+02
 Total ESP:  0.9724798337E+07 a.u. ( 0.2646252E+09 eV, 0.6102408E+10 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.9249161437E-09  0.3551718919E-09  0.2780446096E-08
 Norm of gradient is:  0.2951693994E-08
 
 Components of Laplacian in x/y/z are:
 -0.1356453051E+08 -0.1356466275E+08 -0.1356449589E+08
 Total: -0.4069368915E+08
 
 Hessian matrix:
 -0.1356453051E+08 -0.8082464018E+01  0.2045464646E+02
 -0.8082464018E+01 -0.1356466275E+08  0.4533449323E+02
  0.2045464646E+02  0.4533449323E+02 -0.1356449589E+08
 Eigenvalues of Hessian: -0.1356467543E+08 -0.1356453553E+08 -0.1356447819E+08
 Eigenvectors(columns) of Hessian:
  0.8949028173E-01  0.9406831964E+00  0.3272714677E+00
  0.9632103877E+00 -0.1653433920E+00  0.2118662590E+00
 -0.2534112043E+00 -0.2962713061E+00  0.9208724530E+00
 Determinant of Hessian: -0.2495843936E+22
 Ellipticity of electron density:    0.000010
 eta index:   -1.000015
 
 ----------------   CP   153,     Type (3,-3)   ----------------
 Corresponding nucleus:    37(C )
 Position (Bohr):       -3.694981052274   -3.759793095283    7.890361028383
 Position (Angstrom):   -1.955299767582   -1.989596823734    4.175399242017
 Density of all electrons:  0.1128905632E+03
 Density of Alpha electrons:  0.5644528160E+02
 Density of Beta electrons:  0.5644528160E+02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.5778995511E+01
 G(r) in X,Y,Z:  0.1749602969E+01  0.2250117926E+01  0.1779274616E+01
 Hamiltonian kinetic energy K(r):  0.6506423667E+05
 Potential energy density V(r): -0.6507001567E+05
 Energy density E(r) or H(r): -0.6506423667E+05
 Laplacian of electron density: -0.2602338307E+06
 Electron localization function (ELF):  0.9999994174E+00
 Localized orbital locator (LOL):  0.9992372954E+00
 Local information entropy:  0.3656598899E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1128905632E+03
 Sign(lambda2)*rho with promolecular approximation: -0.1213869380E+03
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.3341203201E-05
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.2182327506E+04
 Wavefunction value for orbital         1 : -0.7656286487E-03
 Average local ionization energy (ALIE):  0.9415009557E+01
 Delta-g (under promolecular approximation):  0.2659989044E-01
 Delta-g (under Hirshfeld partition):  0.5194173103E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.9654825548E+06
 ESP from electrons: -0.4495522243E+02
 Total ESP:  0.9654375996E+06 a.u. ( 0.2627089E+08 eV, 0.6058217E+09 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.1255742732E-10  0.1775779523E-10  0.1824651541E-12
 Norm of gradient is:  0.2174997853E-10
 
 Components of Laplacian in x/y/z are:
 -0.8674485328E+05 -0.8674418811E+05 -0.8674478933E+05
 Total: -0.2602338307E+06
 
 Hessian matrix:
 -0.8674485328E+05  0.4815848438E-01  0.9431167370E-02
  0.4815848438E-01 -0.8674418811E+05 -0.1164231208E+00
  0.9431167370E-02 -0.1164231208E+00 -0.8674478933E+05
 Eigenvalues of Hessian: -0.8674486263E+05 -0.8674480475E+05 -0.8674416334E+05
 Eigenvectors(columns) of Hessian:
  0.9416236149E+00  0.3301335119E+00 -0.6600630389E-01
 -0.1214269249E+00  0.1501655383E+00 -0.9811757299E+00
 -0.3140071174E+00  0.9319131802E+00  0.1814865142E+00
 Determinant of Hessian: -0.6527208715E+15
 Ellipticity of electron density:    0.000001
 eta index:   -1.000008
 
 ----------------   CP   154,     Type (3,-3)   ----------------
 Corresponding nucleus:    38(N )
 Position (Bohr):       -3.853338962998   -5.900081981083    8.324050055681
 Position (Angstrom):   -2.039099165103   -3.122188926849    4.404897591882
 Density of all electrons:  0.1840718355E+03
 Density of Alpha electrons:  0.9203591777E+02
 Density of Beta electrons:  0.9203591777E+02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.1761641277E+02
 G(r) in X,Y,Z:  0.5196989363E+01  0.6865586024E+01  0.5553837385E+01
 Hamiltonian kinetic energy K(r):  0.1458749326E+06
 Potential energy density V(r): -0.1458925490E+06
 Energy density E(r) or H(r): -0.1458749326E+06
 Laplacian of electron density: -0.5834292646E+06
 Electron localization function (ELF):  0.9999989389E+00
 Localized orbital locator (LOL):  0.9989709823E+00
 Local information entropy:  0.2701552795E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1840718355E+03
 Sign(lambda2)*rho with promolecular approximation: -0.1931150483E+03
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1445745230E-05
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.4256944143E+04
 Wavefunction value for orbital         1 :  0.7274919842E-03
 Average local ionization energy (ALIE):  0.1311307680E+02
 Delta-g (under promolecular approximation):  0.7767922026E-01
 Delta-g (under Hirshfeld partition):  0.1007141444E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.3254469465E+06
 ESP from electrons: -0.4403646405E+02
 Total ESP:  0.3254029100E+06 a.u. ( 0.8854663E+07 eV, 0.2041936E+09 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.1041106090E-10  0.6730171975E-11 -0.4921363317E-10
 Norm of gradient is:  0.5075103047E-10
 
 Components of Laplacian in x/y/z are:
 -0.1944790075E+06 -0.1944726737E+06 -0.1944775834E+06
 Total: -0.5834292646E+06
 
 Hessian matrix:
 -0.1944790075E+06  0.5330266086E+00  0.2970641138E+00
  0.5330266086E+00 -0.1944726737E+06 -0.1094103784E+01
  0.2970641138E+00 -0.1094103784E+01 -0.1944775834E+06
 Eigenvalues of Hessian: -0.1944791590E+06 -0.1944776969E+06 -0.1944724088E+06
 Eigenvectors(columns) of Hessian:
  0.9560407299E+00  0.2848089575E+00 -0.6978524625E-01
 -0.1234505528E+00  0.1750590429E+00 -0.9767877418E+00
 -0.2659813600E+00  0.9424638928E+00  0.2025233983E+00
 Determinant of Hessian: -0.7355308011E+16
 Ellipticity of electron density:    0.000008
 eta index:   -1.000035
 
 ----------------   CP   155,     Type (3,-3)   ----------------
 Corresponding nucleus:    39(C )
 Position (Bohr):       -4.219947063305   -6.868211955070    1.667682659674
 Position (Angstrom):   -2.233099817118   -3.634501246275    0.882499658518
 Density of all electrons:  0.1121751047E+03
 Density of Alpha electrons:  0.5608755235E+02
 Density of Beta electrons:  0.5608755235E+02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.5739613317E+01
 G(r) in X,Y,Z:  0.1899536923E+01  0.1872751996E+01  0.1967324398E+01
 Hamiltonian kinetic energy K(r):  0.6459122961E+05
 Potential energy density V(r): -0.6459696922E+05
 Energy density E(r) or H(r): -0.6459122961E+05
 Laplacian of electron density: -0.2583419600E+06
 Electron localization function (ELF):  0.9999994130E+00
 Localized orbital locator (LOL):  0.9992344258E+00
 Local information entropy:  0.3659264824E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1121751047E+03
 Sign(lambda2)*rho with promolecular approximation: -0.1213923862E+03
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.3303337500E-04
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.2497432319E+04
 Wavefunction value for orbital         1 :  0.4009682497E-04
 Average local ionization energy (ALIE):  0.9440839927E+01
 Delta-g (under promolecular approximation):  0.4045443956E-01
 Delta-g (under Hirshfeld partition):  0.4966340235E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.2459772650E+07
 ESP from electrons: -0.4498405438E+02
 Total ESP:  0.2459727666E+07 a.u. ( 0.6693259E+08 eV, 0.1543504E+10 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.2002686905E-10  0.3471001264E-10  0.2697175816E-11
 Norm of gradient is:  0.4016385463E-10
 
 Components of Laplacian in x/y/z are:
 -0.8611403009E+05 -0.8611415561E+05 -0.8611377428E+05
 Total: -0.2583419600E+06
 
 Hessian matrix:
 -0.8611403009E+05  0.7800699174E-01 -0.1410846792E-01
  0.7800699174E-01 -0.8611415561E+05  0.5963352273E-01
 -0.1410846792E-01  0.5963352273E-01 -0.8611377428E+05
 Eigenvalues of Hessian: -0.8611420138E+05 -0.8611399345E+05 -0.8611376515E+05
 Eigenvectors(columns) of Hessian:
  0.4198910497E+00 -0.9075327933E+00 -0.8702611822E-02
 -0.8968527611E+00 -0.4163810938E+00  0.1492712620E+00
  0.1390921684E+00  0.5487270545E-01  0.9887579860E+00
 Determinant of Hessian: -0.6385884896E+15
 Ellipticity of electron density:    0.000002
 eta index:   -1.000005
 
 ----------------   CP   156,     Type (3,-3)   ----------------
 Corresponding nucleus:    40(C )
 Position (Bohr):       -4.810103020178   -4.227309956842    0.673501136056
 Position (Angstrom):   -2.545396900374   -2.236996092584    0.356401452718
 Density of all electrons:  0.1121890039E+03
 Density of Alpha electrons:  0.5609450195E+02
 Density of Beta electrons:  0.5609450195E+02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.5584198204E+01
 G(r) in X,Y,Z:  0.1746365570E+01  0.1783126779E+01  0.2054705855E+01
 Hamiltonian kinetic energy K(r):  0.6460186774E+05
 Potential energy density V(r): -0.6460745193E+05
 Energy density E(r) or H(r): -0.6460186774E+05
 Laplacian of electron density: -0.2583851342E+06
 Electron localization function (ELF):  0.9999994446E+00
 Localized orbital locator (LOL):  0.9992552940E+00
 Local information entropy:  0.3659214604E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1121890039E+03
 Sign(lambda2)*rho with promolecular approximation: -0.1213800459E+03
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1716251550E-03
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.3193291673E+04
 Wavefunction value for orbital         1 :  0.1119972787E-03
 Average local ionization energy (ALIE):  0.9503654939E+01
 Delta-g (under promolecular approximation):  0.4076153991E-01
 Delta-g (under Hirshfeld partition):  0.4881360861E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.6094457164E+06
 ESP from electrons: -0.4880142280E+02
 Total ESP:  0.6093969150E+06 a.u. ( 0.1658253E+08 eV, 0.3824027E+09 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.3674993643E-10 -0.1040201258E-10  0.4554412403E-11
 Norm of gradient is:  0.3846429988E-10
 
 Components of Laplacian in x/y/z are:
 -0.8612882017E+05 -0.8612869085E+05 -0.8612762313E+05
 Total: -0.2583851342E+06
 
 Hessian matrix:
 -0.8612882017E+05 -0.1019850854E+01 -0.5488598384E+00
 -0.1019850854E+01 -0.8612869085E+05 -0.4058413453E+00
 -0.5488598384E+00 -0.4058413453E+00 -0.8612762313E+05
 Eigenvalues of Hessian: -0.8612997321E+05 -0.8612775150E+05 -0.8612740944E+05
 Eigenvectors(columns) of Hessian:
  0.7072270074E+00  0.6127003151E+00 -0.3527439353E+00
  0.6502625894E+00 -0.7595499021E+00 -0.1557276737E-01
  0.2774680610E+00  0.2183627031E+00  0.9355902976E+00
 Determinant of Hessian: -0.6389087062E+15
 Ellipticity of electron density:    0.000026
 eta index:   -1.000030
 
 ----------------   CP   157,     Type (3,-3)   ----------------
 Corresponding nucleus:    47(H )
 Position (Bohr):       -3.185416243010   -2.072466309984    3.085757127462
 Position (Angstrom):   -1.685649683041   -1.096701941608    1.632912350234
 Density of all electrons:  0.3540283019E+00
 Density of Alpha electrons:  0.1770141510E+00
 Density of Beta electrons:  0.1770141510E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.3915151595E-01
 G(r) in X,Y,Z:  0.1113108225E-01  0.1192761188E-01  0.1609282183E-01
 Hamiltonian kinetic energy K(r):  0.2543307471E+01
 Potential energy density V(r): -0.2582458987E+01
 Energy density E(r) or H(r): -0.2543307471E+01
 Laplacian of electron density: -0.1001662382E+02
 Electron localization function (ELF):  0.9941085479E+00
 Localized orbital locator (LOL):  0.9285367971E+00
 Local information entropy:  0.8541291027E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.3540283019E+00
 Sign(lambda2)*rho with promolecular approximation: -0.2712689804E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.9373760992E-06
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.1628294060E+00
 Wavefunction value for orbital         1 : -0.8377642823E-05
 Average local ionization energy (ALIE):  0.5568146448E+00
 Delta-g (under promolecular approximation):  0.2481501076E+00
 Delta-g (under Hirshfeld partition):  0.4297599313E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.5586043725E+02
 ESP from electrons: -0.4187851975E+02
 Total ESP:  0.1398191751E+02 a.u. ( 0.3804673E+03 eV, 0.8773793E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.1118896642E-15 -0.2068657745E-15 -0.1720845688E-14
 Norm of gradient is:  0.1736842718E-14
 
 Components of Laplacian in x/y/z are:
 -0.3808188860E+01 -0.3755990808E+01 -0.2452444150E+01
 Total: -0.1001662382E+02
 
 Hessian matrix:
 -0.3808188860E+01 -0.5086602736E-01 -0.1814327424E+00
 -0.5086602736E-01 -0.3755990808E+01  0.3137564539E+00
 -0.1814327424E+00  0.3137564539E+00 -0.2452444150E+01
 Eigenvalues of Hessian: -0.3839575387E+01 -0.3820591648E+01 -0.2356456784E+01
 Eigenvectors(columns) of Hessian:
 -0.7883808808E+00 -0.6016025863E+00 -0.1285687168E+00
 -0.6141451180E+00  0.7575045882E+00  0.2213878338E+00
  0.3579610053E-01 -0.2534977851E+00  0.9666734258E+00
 Determinant of Hessian: -0.3456792416E+02
 Ellipticity of electron density:    0.004969
 eta index:   -1.629385
 
 ----------------   CP   158,     Type (3,-3)   ----------------
 Corresponding nucleus:    41(O )
 Position (Bohr):       -2.941746439967   -2.437941342388    1.388012412423
 Position (Angstrom):   -1.556705176286   -1.290102999910    0.734504537105
 Density of all electrons:  0.2783344369E+03
 Density of Alpha electrons:  0.1391672184E+03
 Density of Beta electrons:  0.1391672184E+03
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.5158781978E+02
 G(r) in X,Y,Z:  0.1767976591E+02  0.1807582414E+02  0.1583222973E+02
 Hamiltonian kinetic energy K(r):  0.2901013422E+06
 Potential energy density V(r): -0.2901529300E+06
 Energy density E(r) or H(r): -0.2901013422E+06
 Laplacian of electron density: -0.1160199017E+07
 Electron localization function (ELF):  0.9999977070E+00
 Localized orbital locator (LOL):  0.9984880299E+00
 Local information entropy: -0.8493773953E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.2783344369E+03
 Sign(lambda2)*rho with promolecular approximation: -0.2923370587E+03
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.9686193443E-03
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.2271249913E+05
 Wavefunction value for orbital         1 :  0.2409210171E-03
 Average local ionization energy (ALIE):  0.1763097894E+02
 Delta-g (under promolecular approximation):  0.4758908402E-01
 Delta-g (under Hirshfeld partition):  0.7157262446E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.5646090330E+06
 ESP from electrons: -0.6087423141E+02
 Total ESP:  0.5645481588E+06 a.u. ( 0.1536214E+08 eV, 0.3542596E+09 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.1931610427E-10  0.5008349291E-10 -0.3023092887E-10
 Norm of gradient is:  0.6160663281E-10
 
 Components of Laplacian in x/y/z are:
 -0.3867309625E+06 -0.3867294555E+06 -0.3867385995E+06
 Total: -0.1160199017E+07
 
 Hessian matrix:
 -0.3867309625E+06 -0.1022666040E+02 -0.1048610085E+01
 -0.1022666040E+02 -0.3867294555E+06 -0.7056840655E+01
 -0.1048610085E+01 -0.7056840655E+01 -0.3867385995E+06
 Eigenvalues of Hessian: -0.3867455177E+06 -0.3867346308E+06 -0.3867188691E+06
 Eigenvectors(columns) of Hessian:
  0.4597476081E+00  0.6402375701E+00  0.6154087997E+00
  0.5859112545E+00  0.3020725410E+00 -0.7519708650E+00
  0.6673380993E+00 -0.7062917484E+00  0.2362452697E+00
 Determinant of Hessian: -0.5784072333E+17
 Ellipticity of electron density:    0.000028
 eta index:   -1.000069
 
 ----------------   CP   159,     Type (3,-1)   ----------------
 Position (Bohr):        0.564098082635    0.115769403739   -1.020929253295
 Position (Angstrom):    0.298507850045    0.061262530179   -0.540252494788
 Density of all electrons:  0.1389450827E+02
 Density of Alpha electrons:  0.6947254137E+01
 Density of Beta electrons:  0.6947254137E+01
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.1828281533E+03
 G(r) in X,Y,Z:  0.7879745757E+02  0.6232378003E+02  0.4170691570E+02
 Hamiltonian kinetic energy K(r):  0.3062611754E+03
 Potential energy density V(r): -0.4890893287E+03
 Energy density E(r) or H(r): -0.3062611754E+03
 Laplacian of electron density: -0.4937320884E+03
 Electron localization function (ELF):  0.6139711797E+00
 Localized orbital locator (LOL):  0.5577456916E+00
 Local information entropy:  0.1504688250E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1389450827E+02
 Sign(lambda2)*rho with promolecular approximation: -0.1654293682E+02
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.8942608774E-01
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.3351992361E+02
 Wavefunction value for orbital         1 :  0.4098395740E-05
 Average local ionization energy (ALIE):  0.6229000002E+01
 Delta-g (under promolecular approximation):  0.1888275149E-02
 Delta-g (under Hirshfeld partition):  0.3882834158E-02
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.1776701293E+03
 ESP from electrons: -0.7997671531E+02
 Total ESP:  0.9769341404E+02 a.u. ( 0.2658373E+04 eV, 0.6130359E+05 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.2842170943E-13 -0.1421085472E-13  0.8881784197E-14
 Norm of gradient is:  0.3299436390E-13
 
 Components of Laplacian in x/y/z are:
 -0.1939218284E+02 -0.1654632565E+03 -0.3088766490E+03
 Total: -0.4937320884E+03
 
 Hessian matrix:
 -0.1939218284E+02 -0.4284427875E+02  0.2870587287E+03
 -0.4284427875E+02 -0.1654632565E+03 -0.2328576092E+03
  0.2870587287E+03 -0.2328576092E+03 -0.3088766490E+03
 Eigenvalues of Hessian: -0.5693361810E+03 -0.1533513975E+03  0.2289554901E+03
 Eigenvectors(columns) of Hessian:
 -0.3917755355E+00  0.5736774601E+00 -0.7193094616E+00
  0.4280148279E+00  0.8056981892E+00  0.4094554127E+00
  0.8144416719E+00 -0.1474605019E+00 -0.5611952989E+00
 Determinant of Hessian:  0.1998976018E+08
 Ellipticity of electron density:    2.712625
 eta index:    2.486668
 
 ----------------   CP   160,     Type (3,+1)   ----------------
 Position (Bohr):        0.348820060033    0.259132652825   -0.754260770161
 Position (Angstrom):    0.184587626475    0.137127094476   -0.399137610647
 Density of all electrons:  0.1498666843E+01
 Density of Alpha electrons:  0.7493334216E+00
 Density of Beta electrons:  0.7493334216E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.4490958405E+03
 G(r) in X,Y,Z:  0.1529050037E+03  0.1225986710E+03  0.1735921658E+03
 Hamiltonian kinetic energy K(r):  0.6711987259E+02
 Potential energy density V(r): -0.5162157131E+03
 Energy density E(r) or H(r): -0.6711987259E+02
 Laplacian of electron density:  0.1527903872E+04
 Electron localization function (ELF):  0.1574252460E-03
 Localized orbital locator (LOL):  0.1239241092E-01
 Local information entropy:  0.2832168070E-01
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho:  0.1498666843E+01
 Sign(lambda2)*rho with promolecular approximation: -0.5673280976E+03
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.3275018756E-01
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.1396778829E+03
 Wavefunction value for orbital         1 : -0.5148235336E-05
 Average local ionization energy (ALIE):  0.4724522899E+01
 Delta-g (under promolecular approximation):  0.1355178560E-02
 Delta-g (under Hirshfeld partition):  0.6682660790E-04
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.6023110315E+03
 ESP from electrons: -0.8255208333E+02
 Total ESP:  0.5197589481E+03 a.u. ( 0.1414336E+05 eV, 0.3261539E+06 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.1776356839E-13  0.1154631946E-13  0.6128431096E-13
 Norm of gradient is:  0.6484310777E-13
 
 Components of Laplacian in x/y/z are:
  0.3603109981E+03  0.1386109775E+03  0.1028981896E+04
 Total:  0.1527903872E+04
 
 Hessian matrix:
  0.3603109981E+03  0.4268472567E+03  0.2786074084E+03
  0.4268472567E+03  0.1386109775E+03  0.4117651000E+03
  0.2786074084E+03  0.4117651000E+03  0.1028981896E+04
 Eigenvalues of Hessian: -0.2156835320E+03  0.3717861067E+03  0.1371801297E+04
 Eigenvectors(columns) of Hessian:
  0.5394851839E+00  0.7412513740E+00  0.3993771863E+00
 -0.8279503621E+00  0.3807419158E+00  0.4117448136E+00
  0.1531467738E+00 -0.5527947124E+00  0.8191239659E+00
 Determinant of Hessian: -0.1100021953E+09
 Ellipticity of electron density:   -1.580128
 eta index:    0.157227
 
 ----------------   CP   161,     Type (3,-1)   ----------------
 Position (Bohr):        0.316160985815    0.252081600232   -0.614007156707
 Position (Angstrom):    0.167305188670    0.133395838131   -0.324918594661
 Density of all electrons:  0.1728281705E+01
 Density of Alpha electrons:  0.8641408524E+00
 Density of Beta electrons:  0.8641408524E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.4323243172E+03
 G(r) in X,Y,Z:  0.1778348407E+03  0.1287386876E+03  0.1257507889E+03
 Hamiltonian kinetic energy K(r):  0.1148989054E+03
 Potential energy density V(r): -0.5472232226E+03
 Energy density E(r) or H(r): -0.1148989054E+03
 Laplacian of electron density:  0.1269701647E+04
 Electron localization function (ELF):  0.2731791902E-03
 Localized orbital locator (LOL):  0.1626158140E-01
 Local information entropy:  0.3176827981E-01
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1728281705E+01
 Sign(lambda2)*rho with promolecular approximation: -0.6428046421E+03
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.2676717518E+00
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.1374329536E+03
 Wavefunction value for orbital         1 :  0.2028670702E-06
 Average local ionization energy (ALIE):  0.4086108290E+01
 Delta-g (under promolecular approximation):  0.1204675867E-02
 Delta-g (under Hirshfeld partition):  0.7137740408E-04
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.6291559885E+03
 ESP from electrons: -0.8258988682E+02
 Total ESP:  0.5465661017E+03 a.u. ( 0.1487282E+05 eV, 0.3429757E+06 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.8881784197E-14 -0.1065814104E-13 -0.1953992523E-13
 Norm of gradient is:  0.2396436394E-13
 
 Components of Laplacian in x/y/z are:
  0.8883903616E+03  0.2085848783E+03  0.1727264071E+03
 Total:  0.1269701647E+04
 
 Hessian matrix:
  0.8883903616E+03  0.7832501017E+03 -0.7641589124E+03
  0.7832501017E+03  0.2085848783E+03 -0.5718340045E+03
 -0.7641589124E+03 -0.5718340045E+03  0.1727264071E+03
 Eigenvalues of Hessian: -0.3815189567E+03 -0.2704246953E+03  0.1921645299E+04
 Eigenvectors(columns) of Hessian:
 -0.1632447983E-01  0.6863529573E+00 -0.7270853659E+00
 -0.6845510899E+00 -0.5377000280E+00 -0.4922077663E+00
 -0.7287820777E+00  0.4896920439E+00  0.4786213382E+00
 Determinant of Hessian:  0.1982602725E+09
 Ellipticity of electron density:    0.410814
 eta index:    0.198538
 
 ----------------   CP   162,     Type (3,-3)   ----------------
 Corresponding nucleus:    42(H )
 Position (Bohr):       -5.650148351868   -8.143863172973    1.099877964619
 Position (Angstrom):   -2.989929746029   -4.309546799849    0.582030353651
 Density of all electrons:  0.3869902199E+00
 Density of Alpha electrons:  0.1934951100E+00
 Density of Beta electrons:  0.1934951100E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.8937501271E-02
 G(r) in X,Y,Z:  0.2538487809E-02  0.2895046997E-02  0.3503966466E-02
 Hamiltonian kinetic energy K(r):  0.3125147672E+01
 Potential energy density V(r): -0.3134085173E+01
 Energy density E(r) or H(r): -0.3125147672E+01
 Laplacian of electron density: -0.1246484068E+02
 Electron localization function (ELF):  0.9997701207E+00
 Localized orbital locator (LOL):  0.9850794284E+00
 Local information entropy:  0.9211708693E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.3869902199E+00
 Sign(lambda2)*rho with promolecular approximation: -0.2859824089E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1074954197E-06
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.9946275099E-01
 Wavefunction value for orbital         1 :  0.2438303133E-04
 Average local ionization energy (ALIE):  0.3866981863E+00
 Delta-g (under promolecular approximation):  0.1199092510E+00
 Delta-g (under Hirshfeld partition):  0.2357664855E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4880685573E+02
 ESP from electrons: -0.2921971632E+02
 Total ESP:  0.1958713941E+02 a.u. ( 0.5329932E+03 eV, 0.1229113E+05 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.5204170428E-17  0.1249868264E-14 -0.1344410694E-15
 Norm of gradient is:  0.1257088765E-14
 
 Components of Laplacian in x/y/z are:
 -0.4056639094E+01 -0.4108203500E+01 -0.4299998090E+01
 Total: -0.1246484068E+02
 
 Hessian matrix:
 -0.4056639094E+01  0.2599812398E+00  0.1118534004E+00
  0.2599812398E+00 -0.4108203500E+01  0.1006955887E+00
  0.1118534004E+00  0.1006955887E+00 -0.4299998090E+01
 Eigenvalues of Hessian: -0.4343988440E+01 -0.4343062123E+01 -0.3777790120E+01
 Eigenvectors(columns) of Hessian:
  0.6660352368E+00 -0.2212931265E+00  0.7123386943E+00
 -0.4967393501E+00  0.5808327704E+00  0.6448901541E+00
 -0.5564594158E+00 -0.7833662266E+00  0.2769300880E+00
 Determinant of Hessian: -0.7127258800E+02
 Ellipticity of electron density:    0.000213
 eta index:   -1.149876
 
 ----------------   CP   163,     Type (3,-3)   ----------------
 Corresponding nucleus:    43(H )
 Position (Bohr):       -4.118490632506   -6.863981758302    3.663527918137
 Position (Angstrom):   -2.179411386040   -3.632262722547    1.938655485785
 Density of all electrons:  0.3807231026E+00
 Density of Alpha electrons:  0.1903615513E+00
 Density of Beta electrons:  0.1903615513E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.9058069689E-02
 G(r) in X,Y,Z:  0.3427523008E-02  0.3319279798E-02  0.2311266883E-02
 Hamiltonian kinetic energy K(r):  0.3035495078E+01
 Potential energy density V(r): -0.3044553147E+01
 Energy density E(r) or H(r): -0.3035495078E+01
 Laplacian of electron density: -0.1210574803E+02
 Electron localization function (ELF):  0.9997506821E+00
 Localized orbital locator (LOL):  0.9844706085E+00
 Local information entropy:  0.9085051659E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.3807231026E+00
 Sign(lambda2)*rho with promolecular approximation: -0.2844345158E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.3990837334E-06
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.1094302790E+00
 Wavefunction value for orbital         1 :  0.6910851776E-05
 Average local ionization energy (ALIE):  0.3744896638E+00
 Delta-g (under promolecular approximation):  0.1199835379E+00
 Delta-g (under Hirshfeld partition):  0.2376469259E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.5127523411E+02
 ESP from electrons: -0.3249303544E+02
 Total ESP:  0.1878219866E+02 a.u. ( 0.5110896E+03 eV, 0.1178602E+05 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.1021752127E-14  0.1718894124E-14 -0.2758210327E-15
 Norm of gradient is:  0.2018576643E-14
 
 Components of Laplacian in x/y/z are:
 -0.4232244780E+01 -0.4233051377E+01 -0.3640451874E+01
 Total: -0.1210574803E+02
 
 Hessian matrix:
 -0.4232244780E+01  0.2634846931E-03  0.3023391353E-01
  0.2634846931E-03 -0.4233051377E+01 -0.3161336085E-02
  0.3023391353E-01 -0.3161336085E-02 -0.3640451874E+01
 Eigenvalues of Hessian: -0.4233982075E+01 -0.4232871317E+01 -0.3638894640E+01
 Eigenvectors(columns) of Hessian:
  0.9058600721E+00 -0.4205094459E+00  0.5088551480E-01
 -0.4208044853E+00 -0.9071359262E+00 -0.5291177376E-02
 -0.4838506866E-01  0.1661978654E-01  0.9986904765E+00
 Determinant of Hessian: -0.6521591050E+02
 Ellipticity of electron density:    0.000262
 eta index:   -1.163535
 
 ----------------   CP   164,     Type (3,-3)   ----------------
 Corresponding nucleus:    44(H )
 Position (Bohr):       -2.467115550838   -7.488850237860    0.930533924457
 Position (Angstrom):   -1.305541326168   -3.962928881741    0.492417346795
 Density of all electrons:  0.3902103146E+00
 Density of Alpha electrons:  0.1951051573E+00
 Density of Beta electrons:  0.1951051573E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.9157003988E-02
 G(r) in X,Y,Z:  0.2375113538E-02  0.3353358184E-02  0.3428532266E-02
 Hamiltonian kinetic energy K(r):  0.3156906960E+01
 Potential energy density V(r): -0.3166063964E+01
 Energy density E(r) or H(r): -0.3156906960E+01
 Laplacian of electron density: -0.1259099982E+02
 Electron localization function (ELF):  0.9997652783E+00
 Localized orbital locator (LOL):  0.9849250200E+00
 Local information entropy:  0.9276642693E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.3902103146E+00
 Sign(lambda2)*rho with promolecular approximation: -0.2864585539E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1681786975E-06
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.1261996041E+00
 Wavefunction value for orbital         1 : -0.7584535729E-05
 Average local ionization energy (ALIE):  0.3837830470E+00
 Delta-g (under promolecular approximation):  0.1196050337E+00
 Delta-g (under Hirshfeld partition):  0.2356532113E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.5446481446E+02
 ESP from electrons: -0.3391165776E+02
 Total ESP:  0.2055315671E+02 a.u. ( 0.5592798E+03 eV, 0.1289731E+05 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.3556183126E-15 -0.3469446952E-16 -0.2949029909E-16
 Norm of gradient is:  0.3585216426E-15
 
 Components of Laplacian in x/y/z are:
 -0.3952446128E+01 -0.4328497890E+01 -0.4310055807E+01
 Total: -0.1259099982E+02
 
 Hessian matrix:
 -0.3952446128E+01 -0.1548932023E+00 -0.1791577785E+00
 -0.1548932023E+00 -0.4328497890E+01  0.6439759228E-01
 -0.1791577785E+00  0.6439759228E-01 -0.4310055807E+01
 Eigenvalues of Hessian: -0.4384423636E+01 -0.4384056123E+01 -0.3822520065E+01
 Eigenvectors(columns) of Hessian:
  0.2413245412E+00 -0.4160535073E+00 -0.8767336796E+00
 -0.3663766659E+00 -0.8756372212E+00  0.3146865036E+00
  0.8986270664E+00 -0.2452731863E+00  0.3637450475E+00
 Determinant of Hessian: -0.7347479607E+02
 Ellipticity of electron density:    0.000084
 eta index:   -1.146998
 
 ----------------   CP   165,     Type (3,-3)   ----------------
 Corresponding nucleus:    45(H )
 Position (Bohr):       -6.625742660631   -3.630760618981    1.333006210846
 Position (Angstrom):   -3.506192021314   -1.921315777809    0.705396508772
 Density of all electrons:  0.3939643426E+00
 Density of Alpha electrons:  0.1969821713E+00
 Density of Beta electrons:  0.1969821713E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.7936042152E-02
 G(r) in X,Y,Z:  0.2233064682E-02  0.2604916673E-02  0.3098060797E-02
 Hamiltonian kinetic energy K(r):  0.3212406487E+01
 Potential energy density V(r): -0.3220342530E+01
 Energy density E(r) or H(r): -0.3212406487E+01
 Laplacian of electron density: -0.1281788178E+02
 Electron localization function (ELF):  0.9998291688E+00
 Localized orbital locator (LOL):  0.9871133253E+00
 Local information entropy:  0.9352222094E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.3939643426E+00
 Sign(lambda2)*rho with promolecular approximation: -0.2848653456E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.5676949267E-06
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.1329526594E+00
 Wavefunction value for orbital         1 : -0.3815596107E-04
 Average local ionization energy (ALIE):  0.3843203082E+00
 Delta-g (under promolecular approximation):  0.1141109346E+00
 Delta-g (under Hirshfeld partition):  0.2288811076E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.5388461272E+02
 ESP from electrons: -0.3328619432E+02
 Total ESP:  0.2059841840E+02 a.u. ( 0.5605115E+03 eV, 0.1292571E+05 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.1419003803E-14 -0.7632783294E-16 -0.2411265632E-15
 Norm of gradient is:  0.1441367320E-14
 
 Components of Laplacian in x/y/z are:
 -0.3990816812E+01 -0.4420848915E+01 -0.4406216054E+01
 Total: -0.1281788178E+02
 
 Hessian matrix:
 -0.3990816812E+01 -0.1530282089E+00 -0.1667038697E+00
 -0.1530282089E+00 -0.4420848915E+01  0.5018098463E-01
 -0.1667038697E+00  0.5018098463E-01 -0.4406216054E+01
 Eigenvalues of Hessian: -0.4470909231E+01 -0.4463064444E+01 -0.3883908106E+01
 Eigenvectors(columns) of Hessian:
  0.3955357564E+00  0.1613263864E+00  0.9041710361E+00
  0.8424919568E+00 -0.4557429078E+00 -0.2872380629E+00
  0.3657304584E+00  0.8753697499E+00 -0.3161787987E+00
 Determinant of Hessian: -0.7749933154E+02
 Ellipticity of electron density:    0.001758
 eta index:   -1.151137
 
 ----------------   CP   166,     Type (3,-3)   ----------------
 Corresponding nucleus:    46(H )
 Position (Bohr):       -4.828751062859   -4.235853262306   -1.337165987645
 Position (Angstrom):   -2.555265019589   -2.241517015141   -0.707597767856
 Density of all electrons:  0.3925273345E+00
 Density of Alpha electrons:  0.1962636672E+00
 Density of Beta electrons:  0.1962636672E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.7816972612E-02
 G(r) in X,Y,Z:  0.2705038622E-02  0.2772577392E-02  0.2339356598E-02
 Hamiltonian kinetic energy K(r):  0.3176429619E+01
 Potential energy density V(r): -0.3184246592E+01
 Energy density E(r) or H(r): -0.3176429619E+01
 Laplacian of electron density: -0.1267445059E+02
 Electron localization function (ELF):  0.9998322183E+00
 Localized orbital locator (LOL):  0.9872276502E+00
 Local information entropy:  0.9323306359E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.3925273345E+00
 Sign(lambda2)*rho with promolecular approximation: -0.2844731166E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1773268635E-04
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.1537256391E+00
 Wavefunction value for orbital         1 :  0.2741430712E-04
 Average local ionization energy (ALIE):  0.3822972502E+00
 Delta-g (under promolecular approximation):  0.1168656154E+00
 Delta-g (under Hirshfeld partition):  0.2365673299E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.5638190935E+02
 ESP from electrons: -0.3590251152E+02
 Total ESP:  0.2047939783E+02 a.u. ( 0.5572728E+03 eV, 0.1285103E+05 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.1235990477E-15 -0.4753142324E-15  0.2081668171E-16
 Norm of gradient is:  0.4915624867E-15
 
 Components of Laplacian in x/y/z are:
 -0.4427976969E+01 -0.4427681439E+01 -0.3818792179E+01
 Total: -0.1267445059E+02
 
 Hessian matrix:
 -0.4427976969E+01 -0.3739127289E-02  0.5479130800E-02
 -0.3739127289E-02 -0.4427681439E+01  0.1269339273E-02
  0.5479130800E-02  0.1269339273E-02 -0.3818792179E+01
 Eigenvalues of Hessian: -0.4431609383E+01 -0.4424100809E+01 -0.3818740395E+01
 Eigenvectors(columns) of Hessian:
 -0.7230030790E+00 -0.6907864334E+00  0.8980601464E-02
 -0.6907996919E+00  0.7230433374E+00  0.2029270109E-02
  0.7895156315E-02  0.4736628187E-02  0.9999576145E+00
 Determinant of Hessian: -0.7486979135E+02
 Ellipticity of electron density:    0.001697
 eta index:   -1.160490
 
 ----------------   CP   167,     Type (3,-1)   ----------------
 Position (Bohr):        0.224459902644   -0.066562477232   -0.500403302000
 Position (Angstrom):    0.118779065241   -0.035223346052   -0.264802023679
 Density of all electrons:  0.1398702843E+02
 Density of Alpha electrons:  0.6993514217E+01
 Density of Beta electrons:  0.6993514217E+01
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.1915336480E+03
 G(r) in X,Y,Z:  0.8598062424E+02  0.3822427012E+02  0.6732875368E+02
 Hamiltonian kinetic energy K(r):  0.3103897346E+03
 Potential energy density V(r): -0.5019233826E+03
 Energy density E(r) or H(r): -0.3103897346E+03
 Laplacian of electron density: -0.4754243463E+03
 Electron localization function (ELF):  0.5970346477E+00
 Localized orbital locator (LOL):  0.5489829731E+00
 Local information entropy:  0.1511344289E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1398702843E+02
 Sign(lambda2)*rho with promolecular approximation: -0.1655748586E+02
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1560267740E+01
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.6848062408E+02
 Wavefunction value for orbital         1 :  0.1667574295E-04
 Average local ionization energy (ALIE):  0.6167134180E+01
 Delta-g (under promolecular approximation):  0.1413183951E-02
 Delta-g (under Hirshfeld partition):  0.2989406634E-02
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.1777742052E+03
 ESP from electrons: -0.8003196228E+02
 Total ESP:  0.9774224289E+02 a.u. ( 0.2659702E+04 eV, 0.6133423E+05 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.5329070518E-14 -0.7105427358E-14 -0.6217248938E-14
 Norm of gradient is:  0.1084159928E-13
 
 Components of Laplacian in x/y/z are:
 -0.3042233907E+01 -0.3361378264E+03 -0.1362442861E+03
 Total: -0.4754243463E+03
 
 Hessian matrix:
 -0.3042233907E+01 -0.2919314818E+03 -0.8228629935E+02
 -0.2919314818E+03 -0.3361378264E+03  0.2279205239E+03
 -0.8228629935E+02  0.2279205239E+03 -0.1362442861E+03
 Eigenvalues of Hessian: -0.5686246805E+03 -0.1676062770E+03  0.2608066111E+03
 Eigenvectors(columns) of Hessian:
  0.3821501296E+00 -0.5771793557E+00 -0.7216822499E+00
  0.8454956912E+00 -0.9680475619E-01  0.5251341498E+00
 -0.3729588645E+00 -0.8108593161E+00  0.4510087082E+00
 Determinant of Hessian:  0.2485619120E+08
 Ellipticity of electron density:    2.392622
 eta index:    2.180254
 
 ----------------   CP   168,     Type (3,-1)   ----------------
 Position (Bohr):        0.225168910856    0.130039348793   -0.297888669201
 Position (Angstrom):    0.119154256229    0.068813859902   -0.157635895128
 Density of all electrons:  0.1395266277E+02
 Density of Alpha electrons:  0.6976331383E+01
 Density of Beta electrons:  0.6976331383E+01
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.1896451783E+03
 G(r) in X,Y,Z:  0.8360943734E+02  0.6600059567E+02  0.4003514527E+02
 Hamiltonian kinetic energy K(r):  0.3091870525E+03
 Potential energy density V(r): -0.4988322308E+03
 Energy density E(r) or H(r): -0.3091870525E+03
 Laplacian of electron density: -0.4781674969E+03
 Electron localization function (ELF):  0.5998264200E+00
 Localized orbital locator (LOL):  0.5504207914E+00
 Local information entropy:  0.1508874567E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1395266277E+02
 Sign(lambda2)*rho with promolecular approximation: -0.1655073567E+02
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.5385592071E+01
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.9623271339E+02
 Wavefunction value for orbital         1 :  0.2342504937E-04
 Average local ionization energy (ALIE):  0.6182654688E+01
 Delta-g (under promolecular approximation):  0.1516310070E-02
 Delta-g (under Hirshfeld partition):  0.3135075416E-02
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.1777773480E+03
 ESP from electrons: -0.8007141669E+02
 Total ESP:  0.9770593134E+02 a.u. ( 0.2658714E+04 eV, 0.6131145E+05 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.1065814104E-13  0.2664535259E-14  0.1065814104E-13
 Norm of gradient is:  0.1530658972E-13
 
 Components of Laplacian in x/y/z are:
 -0.8223209855E+01 -0.1463457972E+03 -0.3235984899E+03
 Total: -0.4781674969E+03
 
 Hessian matrix:
 -0.8223209855E+01  0.7781050815E+02  0.2913741021E+03
  0.7781050815E+02 -0.1463457972E+03  0.2347052862E+03
  0.2913741021E+03  0.2347052862E+03 -0.3235984899E+03
 Eigenvalues of Hessian: -0.5673459292E+03 -0.1703790655E+03  0.2595574978E+03
 Eigenvectors(columns) of Hessian:
  0.3805261948E+00  0.5868060620E+00 -0.7147436329E+00
  0.3956555906E+00 -0.8018842003E+00 -0.4477034543E+00
 -0.8358567274E+00 -0.1124294223E+00 -0.5373110424E+00
 Determinant of Hessian:  0.2508983203E+08
 Ellipticity of electron density:    2.329904
 eta index:    2.185820
 
 ----------------   CP   169,     Type (3,-1)   ----------------
 Position (Bohr):        0.562641751663    0.661833737238   -0.476378951474
 Position (Angstrom):    0.297737192882    0.350227331153   -0.252088884874
 Density of all electrons:  0.1379759410E+02
 Density of Alpha electrons:  0.6898797048E+01
 Density of Beta electrons:  0.6898797048E+01
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.1848356608E+03
 G(r) in X,Y,Z:  0.8042182810E+02  0.4157643862E+02  0.6283739408E+02
 Hamiltonian kinetic energy K(r):  0.3024086387E+03
 Potential energy density V(r): -0.4872442995E+03
 Energy density E(r) or H(r): -0.3024086387E+03
 Laplacian of electron density: -0.4702919118E+03
 Electron localization function (ELF):  0.6032112866E+00
 Localized orbital locator (LOL):  0.5521674230E+00
 Local information entropy:  0.1497692160E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1379759410E+02
 Sign(lambda2)*rho with promolecular approximation: -0.1652605982E+02
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.6392934260E-01
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.3777518689E+02
 Wavefunction value for orbital         1 :  0.3339797859E-05
 Average local ionization energy (ALIE):  0.6267747327E+01
 Delta-g (under promolecular approximation):  0.2209182923E-02
 Delta-g (under Hirshfeld partition):  0.4330837988E-02
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.1776848289E+03
 ESP from electrons: -0.8010717877E+02
 Total ESP:  0.9757765014E+02 a.u. ( 0.2655223E+04 eV, 0.6123095E+05 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.7105427358E-14  0.1421085472E-13  0.8215650382E-14
 Norm of gradient is:  0.1788665427E-13
 
 Components of Laplacian in x/y/z are:
 -0.6352421601E+01 -0.3070249614E+03 -0.1569145288E+03
 Total: -0.4702919118E+03
 
 Hessian matrix:
 -0.6352421601E+01 -0.2892413309E+03  0.4306054285E+02
 -0.2892413309E+03 -0.3070249614E+03 -0.2351315162E+03
  0.4306054285E+02 -0.2351315162E+03 -0.1569145288E+03
 Eigenvalues of Hessian: -0.5674608308E+03 -0.1435057942E+03  0.2406747133E+03
 Eigenvectors(columns) of Hessian:
  0.3882098277E+00  0.5709474814E+00  0.7234031401E+00
  0.8166717518E+00  0.1505835687E+00 -0.5571102571E+00
  0.4270133246E+00 -0.8070585866E+00  0.4078186586E+00
 Determinant of Hessian:  0.1959908468E+08
 Ellipticity of electron density:    2.954271
 eta index:    2.357792
 
 ----------------   CP   170,     Type (3,-3)   ----------------
 Corresponding nucleus:    48(N )
 Position (Bohr):       -1.286332428766   -2.222899246566   -3.995845016722
 Position (Angstrom):   -0.680697806949   -1.176307623416   -2.114510121150
 Density of all electrons:  0.1834471755E+03
 Density of Alpha electrons:  0.9172358774E+02
 Density of Beta electrons:  0.9172358774E+02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.1845421804E+02
 G(r) in X,Y,Z:  0.6278924863E+01  0.6275265894E+01  0.5900027280E+01
 Hamiltonian kinetic energy K(r):  0.1453087037E+06
 Potential energy density V(r): -0.1453271579E+06
 Energy density E(r) or H(r): -0.1453087037E+06
 Laplacian of electron density: -0.5811609980E+06
 Electron localization function (ELF):  0.9999988223E+00
 Localized orbital locator (LOL):  0.9989159791E+00
 Local information entropy:  0.2714979060E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1834471755E+03
 Sign(lambda2)*rho with promolecular approximation: -0.1931064387E+03
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.4308847927E-04
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.9736233262E+04
 Wavefunction value for orbital         1 :  0.1341840483E-04
 Average local ionization energy (ALIE):  0.1318751713E+02
 Delta-g (under promolecular approximation):  0.7900391061E-01
 Delta-g (under Hirshfeld partition):  0.9893549505E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.2883501074E+06
 ESP from electrons: -0.5723653649E+02
 Total ESP:  0.2882928709E+06 a.u. ( 0.7844848E+07 eV, 0.1809067E+09 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.1779248970E-10 -0.1958144757E-10 -0.2924682718E-10
 Norm of gradient is:  0.3943834022E-10
 
 Components of Laplacian in x/y/z are:
 -0.1937197080E+06 -0.1937198173E+06 -0.1937214727E+06
 Total: -0.5811609980E+06
 
 Hessian matrix:
 -0.1937197080E+06  0.2775266197E+00  0.1359027372E+00
  0.2775266197E+00 -0.1937198173E+06 -0.2185660867E+01
  0.1359027372E+00 -0.2185660867E+01 -0.1937214727E+06
 Eigenvalues of Hessian: -0.1937230042E+06 -0.1937197022E+06 -0.1937182916E+06
 Eigenvectors(columns) of Hessian:
  0.8161847583E-01  0.9908758450E+00 -0.1072542968E+00
 -0.5685239294E+00 -0.4210100135E-01 -0.8215887337E+00
 -0.8186079441E+00  0.1280334545E+00  0.5599004094E+00
 Determinant of Hessian: -0.7269852819E+16
 Ellipticity of electron density:    0.000017
 eta index:   -1.000024
 
 ----------------   CP   171,     Type (3,-1)   ----------------
 Position (Bohr):        0.219068147057    0.661056342030   -0.477446310896
 Position (Angstrom):    0.115925871057    0.349815951325   -0.252653707156
 Density of all electrons:  0.1384172372E+02
 Density of Alpha electrons:  0.6920861862E+01
 Density of Beta electrons:  0.6920861862E+01
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.1865064468E+03
 G(r) in X,Y,Z:  0.8078098278E+02  0.4202105015E+02  0.6370441389E+02
 Hamiltonian kinetic energy K(r):  0.3043716034E+03
 Potential energy density V(r): -0.4908780503E+03
 Energy density E(r) or H(r): -0.3043716034E+03
 Laplacian of electron density: -0.4714606265E+03
 Electron localization function (ELF):  0.6014499849E+00
 Localized orbital locator (LOL):  0.5512581034E+00
 Local information entropy:  0.1500880860E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1384172372E+02
 Sign(lambda2)*rho with promolecular approximation: -0.1653059380E+02
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.8396845196E-01
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.4443331054E+02
 Wavefunction value for orbital         1 :  0.7309984803E-06
 Average local ionization energy (ALIE):  0.6245797983E+01
 Delta-g (under promolecular approximation):  0.2129114833E-02
 Delta-g (under Hirshfeld partition):  0.4201495292E-02
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.1776637850E+03
 ESP from electrons: -0.8006087514E+02
 Total ESP:  0.9760290983E+02 a.u. ( 0.2655910E+04 eV, 0.6124680E+05 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.1421085472E-13  0.1421085472E-13  0.2842170943E-13
 Norm of gradient is:  0.3480934286E-13
 
 Components of Laplacian in x/y/z are:
 -0.8926004064E+01 -0.3062795977E+03 -0.1562550247E+03
 Total: -0.4714606265E+03
 
 Hessian matrix:
 -0.8926004064E+01  0.2891084572E+03 -0.3744812889E+02
  0.2891084572E+03 -0.3062795977E+03 -0.2320713517E+03
 -0.3744812889E+02 -0.2320713517E+03 -0.1562550247E+03
 Eigenvalues of Hessian: -0.5668963705E+03 -0.1394496493E+03  0.2348853934E+03
 Eigenvectors(columns) of Hessian:
 -0.3938540272E+00 -0.5648607594E+00  0.7251284905E+00
  0.8151446644E+00  0.1499098685E+00  0.5595231966E+00
  0.4247566144E+00 -0.8114550843E+00 -0.4014006287E+00
 Determinant of Hessian:  0.1856851246E+08
 Ellipticity of electron density:    3.065241
 eta index:    2.413502
 
 ----------------   CP   172,     Type (3,-1)   ----------------
 Position (Bohr):        0.311815232426    0.257624258656   -0.713457003040
 Position (Angstrom):    0.165005515012    0.136328886657   -0.377545186968
 Density of all electrons:  0.1693193468E+01
 Density of Alpha electrons:  0.8465967339E+00
 Density of Beta electrons:  0.8465967339E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.4302399858E+03
 G(r) in X,Y,Z:  0.1833683405E+03  0.1220186712E+03  0.1248529740E+03
 Hamiltonian kinetic energy K(r):  0.1095968517E+03
 Potential energy density V(r): -0.5398368375E+03
 Energy density E(r) or H(r): -0.1095968517E+03
 Laplacian of electron density:  0.1282572536E+04
 Electron localization function (ELF):  0.2576077972E-03
 Localized orbital locator (LOL):  0.1579862983E-01
 Local information entropy:  0.3124913997E-01
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1693193468E+01
 Sign(lambda2)*rho with promolecular approximation: -0.6368483253E+03
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1695894763E-01
 Source function, ref.:   0.00000   0.00000   0.00000 : -0.1244477985E+03
 Wavefunction value for orbital         1 : -0.9640651184E-05
 Average local ionization energy (ALIE):  0.4172047833E+01
 Delta-g (under promolecular approximation):  0.1283978047E-02
 Delta-g (under Hirshfeld partition):  0.7148747201E-04
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.6271230932E+03
 ESP from electrons: -0.8256171904E+02
 Total ESP:  0.5445613742E+03 a.u. ( 0.1481827E+05 eV, 0.3417177E+06 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.3375077995E-13 -0.1509903313E-13 -0.3375077995E-13
 Norm of gradient is:  0.5006207243E-13
 
 Components of Laplacian in x/y/z are:
  0.9968208483E+03  0.1209485376E+03  0.1648031502E+03
 Total:  0.1282572536E+04
 
 Hessian matrix:
  0.9968208483E+03  0.7091286448E+03  0.7758294373E+03
  0.7091286448E+03  0.1209485376E+03  0.4908146379E+03
  0.7758294373E+03  0.4908146379E+03  0.1648031502E+03
 Eigenvalues of Hessian: -0.3509081199E+03 -0.2485112654E+03  0.1881991921E+04
 Eigenvectors(columns) of Hessian:
  0.1033629455E+00  0.6358283822E+00 -0.7648780098E+00
  0.6382068993E+00 -0.6322194700E+00 -0.4393068353E+00
 -0.7628945243E+00 -0.4427423745E+00 -0.4711381269E+00
 Determinant of Hessian:  0.1641183920E+09
 Ellipticity of electron density:    0.412041
 eta index:    0.186456
 
 ----------------   CP   173,     Type (3,-3)   ----------------
 Corresponding nucleus:    49(N )
 Position (Bohr):       -1.072987021410   -3.512244271413   -5.759128123289
 Position (Angstrom):   -0.567800279325   -1.858599627557   -3.047599357515
 Density of all electrons:  0.1831418343E+03
 Density of Alpha electrons:  0.9157091714E+02
 Density of Beta electrons:  0.9157091714E+02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.1934364058E+02
 G(r) in X,Y,Z:  0.6355900121E+01  0.6464867850E+01  0.6522872613E+01
 Hamiltonian kinetic energy K(r):  0.1450210723E+06
 Potential energy density V(r): -0.1450404159E+06
 Energy density E(r) or H(r): -0.1450210723E+06
 Laplacian of electron density: -0.5800069145E+06
 Electron localization function (ELF):  0.9999986989E+00
 Localized orbital locator (LOL):  0.9988606375E+00
 Local information entropy:  0.2721513950E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1831418343E+03
 Sign(lambda2)*rho with promolecular approximation: -0.1931804323E+03
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1746902658E-04
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.6757336152E+04
 Wavefunction value for orbital         1 : -0.1050149075E-04
 Average local ionization energy (ALIE):  0.1333834851E+02
 Delta-g (under promolecular approximation):  0.7935355275E-01
 Delta-g (under Hirshfeld partition):  0.9920119983E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4579339859E+07
 ESP from electrons: -0.5330738999E+02
 Total ESP:  0.4579286552E+07 a.u. ( 0.1246087E+09 eV, 0.2873548E+10 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.1111688519E-10 -0.4775624340E-11  0.5165473604E-10
 Norm of gradient is:  0.5305283668E-10
 
 Components of Laplacian in x/y/z are:
 -0.1933352568E+06 -0.1933356016E+06 -0.1933360561E+06
 Total: -0.5800069145E+06
 
 Hessian matrix:
 -0.1933352568E+06  0.1253997778E+00  0.1831165573E+00
  0.1253997778E+00 -0.1933356016E+06 -0.7221014291E+00
  0.1831165573E+00 -0.7221014291E+00 -0.1933360561E+06
 Eigenvalues of Hessian: -0.1933366219E+06 -0.1933352211E+06 -0.1933350715E+06
 Eigenvectors(columns) of Hessian:
 -0.1603857510E+00  0.9859279591E+00 -0.4714308373E-01
  0.5832636692E+00  0.1331967087E+00  0.8012877941E+00
  0.7962913431E+00  0.1010182966E+00 -0.5964188132E+00
 Determinant of Hessian: -0.7226628822E+16
 Ellipticity of electron density:    0.000007
 eta index:   -1.000008
 
 ----------------   CP   174,     Type (3,-3)   ----------------
 Corresponding nucleus:    50(N )
 Position (Bohr):       -0.938250260358   -4.799131588860   -7.485938401666
 Position (Angstrom):   -0.496500655905   -2.539591068950   -3.961388004385
 Density of all electrons:  0.1840133611E+03
 Density of Alpha electrons:  0.9200668053E+02
 Density of Beta electrons:  0.9200668053E+02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.1770235444E+02
 G(r) in X,Y,Z:  0.5766832228E+01  0.6005947947E+01  0.5929574264E+01
 Hamiltonian kinetic energy K(r):  0.1458193480E+06
 Potential energy density V(r): -0.1458370503E+06
 Energy density E(r) or H(r): -0.1458193480E+06
 Laplacian of electron density: -0.5832065824E+06
 Electron localization function (ELF):  0.9999989274E+00
 Localized orbital locator (LOL):  0.9989654203E+00
 Local information entropy:  0.2702812891E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1840133611E+03
 Sign(lambda2)*rho with promolecular approximation: -0.1930957653E+03
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.6838480059E-05
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.5190389151E+04
 Wavefunction value for orbital         1 : -0.6058188700E-05
 Average local ionization energy (ALIE):  0.1316358095E+02
 Delta-g (under promolecular approximation):  0.8607760421E-01
 Delta-g (under Hirshfeld partition):  0.1072328476E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.2471046745E+06
 ESP from electrons: -0.4761072298E+02
 Total ESP:  0.2470570638E+06 a.u. ( 0.6722765E+07 eV, 0.1550308E+09 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.4732325642E-11  0.5994738039E-10  0.7305098193E-10
 Norm of gradient is:  0.9461780637E-10
 
 Components of Laplacian in x/y/z are:
 -0.1944027449E+06 -0.1944017632E+06 -0.1944020744E+06
 Total: -0.5832065824E+06
 
 Hessian matrix:
 -0.1944027449E+06  0.7376684737E-01 -0.2463423432E+00
  0.7376684737E-01 -0.1944017632E+06 -0.6788120400E+00
 -0.2463423432E+00 -0.6788120400E+00 -0.1944020744E+06
 Eigenvalues of Hessian: -0.1944028600E+06 -0.1944025291E+06 -0.1944011933E+06
 Eigenvectors(columns) of Hessian:
 -0.8526055836E+00 -0.5045029443E+00  0.1361634975E+00
 -0.2323280876E+00  0.5993758943E+00  0.7660105724E+00
 -0.4680677072E+00  0.6214702862E+00 -0.6282414384E+00
 Determinant of Hessian: -0.7346889146E+16
 Ellipticity of electron density:    0.000002
 eta index:   -1.000009
 
 ----------------   CP   175,     Type (3,-3)   ----------------
 Corresponding nucleus:    51(N )
 Position (Bohr):       -1.578672799493    3.330854865566   -3.411697848508
 Position (Angstrom):   -0.835397668964    1.762612487683   -1.805392751917
 Density of all electrons:  0.1838811347E+03
 Density of Alpha electrons:  0.9194056736E+02
 Density of Beta electrons:  0.9194056736E+02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.1802508232E+02
 G(r) in X,Y,Z:  0.6434988022E+01  0.5653877063E+01  0.5936217230E+01
 Hamiltonian kinetic energy K(r):  0.1457055759E+06
 Potential energy density V(r): -0.1457236010E+06
 Energy density E(r) or H(r): -0.1457055759E+06
 Laplacian of electron density: -0.5827502032E+06
 Electron localization function (ELF):  0.9999988853E+00
 Localized orbital locator (LOL):  0.9989453175E+00
 Local information entropy:  0.2705659820E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1838811347E+03
 Sign(lambda2)*rho with promolecular approximation: -0.1930981685E+03
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.1548460432E-04
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.9233029142E+04
 Wavefunction value for orbital         1 :  0.1584995897E-04
 Average local ionization energy (ALIE):  0.1321453742E+02
 Delta-g (under promolecular approximation):  0.8087321132E-01
 Delta-g (under Hirshfeld partition):  0.1022736601E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.2533536885E+06
 ESP from electrons: -0.5626286821E+02
 Total ESP:  0.2532974256E+06 a.u. ( 0.6892573E+07 eV, 0.1589467E+09 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.1301148078E-10  0.1460520593E-10 -0.3636579926E-10
 Norm of gradient is:  0.4129263891E-10
 
 Components of Laplacian in x/y/z are:
 -0.1942482891E+06 -0.1942516082E+06 -0.1942503059E+06
 Total: -0.5827502032E+06
 
 Hessian matrix:
 -0.1942482891E+06 -0.1804830856E-01 -0.3110773373E+00
 -0.1804830856E-01 -0.1942516082E+06 -0.9962929027E-02
 -0.3110773373E+00 -0.9962929027E-02 -0.1942503059E+06
 Eigenvalues of Hessian: -0.1942516084E+06 -0.1942503527E+06 -0.1942482421E+06
 Eigenvectors(columns) of Hessian:
  0.6294835356E-02  0.1489685373E+00  0.9888219000E+00
  0.9999383026E+00 -0.9988139558E-02 -0.4860863661E-02
  0.9152375385E-02  0.9887914906E+00 -0.1490222201E+00
 Determinant of Hessian: -0.7329655057E+16
 Ellipticity of electron density:    0.000006
 eta index:   -1.000017
 
 ----------------   CP   176,     Type (3,-3)   ----------------
 Corresponding nucleus:    52(N )
 Position (Bohr):       -1.368161265770    5.307862734802   -2.494626810937
 Position (Angstrom):   -0.723999762686    2.808799997859   -1.320099658056
 Density of all electrons:  0.1831161048E+03
 Density of Alpha electrons:  0.9155805242E+02
 Density of Beta electrons:  0.9155805242E+02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.1948259000E+02
 G(r) in X,Y,Z:  0.6337121232E+01  0.6574416022E+01  0.6571052748E+01
 Hamiltonian kinetic energy K(r):  0.1449998550E+06
 Potential energy density V(r): -0.1450193376E+06
 Energy density E(r) or H(r): -0.1449998550E+06
 Laplacian of electron density: -0.5799214897E+06
 Electron localization function (ELF):  0.9999986795E+00
 Localized orbital locator (LOL):  0.9988521942E+00
 Local information entropy:  0.2722063767E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1831161048E+03
 Sign(lambda2)*rho with promolecular approximation: -0.1931821298E+03
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.3278064363E-04
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.7662931271E+04
 Wavefunction value for orbital         1 :  0.2334055477E-04
 Average local ionization energy (ALIE):  0.1338311063E+02
 Delta-g (under promolecular approximation):  0.8212424721E-01
 Delta-g (under Hirshfeld partition):  0.1066470478E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.8738312182E+07
 ESP from electrons: -0.5546532319E+02
 Total ESP:  0.8738256716E+07 a.u. ( 0.2377801E+09 eV, 0.5483343E+10 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.1849959075E-10  0.8110601080E-10 -0.2906969110E-10
 Norm of gradient is:  0.8812188596E-10
 
 Components of Laplacian in x/y/z are:
 -0.1933070196E+06 -0.1933079411E+06 -0.1933065289E+06
 Total: -0.5799214897E+06
 
 Hessian matrix:
 -0.1933070196E+06 -0.2718674062E+00  0.1751871514E+00
 -0.2718674062E+00 -0.1933079411E+06 -0.9649131427E+00
  0.1751871514E+00 -0.9649131427E+00 -0.1933065289E+06
 Eigenvalues of Hessian: -0.1933084497E+06 -0.1933070753E+06 -0.1933059647E+06
 Eigenvectors(columns) of Hessian:
 -0.1159443566E+00 -0.9590772681E+00  0.2583170531E+00
 -0.8917610543E+00 -0.1401289479E-01 -0.4522895763E+00
 -0.4374004210E+00  0.2827975116E+00  0.8536430397E+00
 Determinant of Hessian: -0.7223436225E+16
 Ellipticity of electron density:    0.000007
 eta index:   -1.000013
 
 ----------------   CP   177,     Type (3,-3)   ----------------
 Corresponding nucleus:    53(N )
 Position (Bohr):       -1.157836521880    7.265781020384   -1.554497084918
 Position (Angstrom):   -0.612700701330    3.844885735399   -0.822604431754
 Density of all electrons:  0.1841038962E+03
 Density of Alpha electrons:  0.9205194810E+02
 Density of Beta electrons:  0.9205194810E+02
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.1769285995E+02
 G(r) in X,Y,Z:  0.6383788538E+01  0.5876096241E+01  0.5432975167E+01
 Hamiltonian kinetic energy K(r):  0.1459062169E+06
 Potential energy density V(r): -0.1459239097E+06
 Energy density E(r) or H(r): -0.1459062169E+06
 Laplacian of electron density: -0.5835540961E+06
 Electron localization function (ELF):  0.9999989303E+00
 Localized orbital locator (LOL):  0.9989668210E+00
 Local information entropy:  0.2700861618E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1841038962E+03
 Sign(lambda2)*rho with promolecular approximation: -0.1930962822E+03
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.3387761901E-02
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.6175331138E+04
 Wavefunction value for orbital         1 :  0.6918297030E-05
 Average local ionization energy (ALIE):  0.1321397090E+02
 Delta-g (under promolecular approximation):  0.8231134819E-01
 Delta-g (under Hirshfeld partition):  0.1031913173E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.2474759369E+06
 ESP from electrons: -0.5146356740E+02
 Total ESP:  0.2474244733E+06 a.u. ( 0.6732762E+07 eV, 0.1552613E+09 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.1287625562E-10 -0.3180533614E-10  0.1030997510E-10
 Norm of gradient is:  0.3582838194E-10
 
 Components of Laplacian in x/y/z are:
 -0.1945160377E+06 -0.1945180676E+06 -0.1945199908E+06
 Total: -0.5835540961E+06
 
 Hessian matrix:
 -0.1945160377E+06 -0.4040190513E-01 -0.1129348010E+01
 -0.4040190513E-01 -0.1945180676E+06 -0.3201652736E+00
 -0.1129348010E+01 -0.3201652736E+00 -0.1945199908E+06
 Eigenvalues of Hessian: -0.1945203358E+06 -0.1945180233E+06 -0.1945157370E+06
 Eigenvectors(columns) of Hessian:
  0.2528640663E+00  0.5389093841E-01  0.9659997571E+00
  0.1396425188E+00 -0.9900258093E+00  0.1867789784E-01
  0.9573712607E+00  0.1301716700E+00 -0.2578674183E+00
 Determinant of Hessian: -0.7360030282E+16
 Ellipticity of electron density:    0.000012
 eta index:   -1.000024
 
 ----------------   CP   178,     Type (3,-3)   ----------------
 Corresponding nucleus:    54(O )
 Position (Bohr):        1.773502027580   -0.558208653896    4.002065444445
 Position (Angstrom):    0.938496856486   -0.295391298570    2.117801829743
 Density of all electrons:  0.2784567581E+03
 Density of Alpha electrons:  0.1392283790E+03
 Density of Beta electrons:  0.1392283790E+03
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.5105221913E+02
 G(r) in X,Y,Z:  0.1689737477E+02  0.1638318261E+02  0.1777166175E+02
 Hamiltonian kinetic energy K(r):  0.2902455444E+06
 Potential energy density V(r): -0.2902965966E+06
 Energy density E(r) or H(r): -0.2902455444E+06
 Laplacian of electron density: -0.1160777969E+07
 Electron localization function (ELF):  0.9999977577E+00
 Localized orbital locator (LOL):  0.9985047978E+00
 Local information entropy: -0.8940796895E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.2784567581E+03
 Sign(lambda2)*rho with promolecular approximation: -0.2923203579E+03
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.3371433609E-03
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.2093235152E+05
 Wavefunction value for orbital         1 :  0.2330947330E-03
 Average local ionization energy (ALIE):  0.1763360593E+02
 Delta-g (under promolecular approximation):  0.5053689087E-01
 Delta-g (under Hirshfeld partition):  0.7682589047E-01
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.4488814482E+06
 ESP from electrons: -0.5907560805E+02
 Total ESP:  0.4488223726E+06 a.u. ( 0.1221308E+08 eV, 0.2816405E+09 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.1116962078E-10  0.1101341240E-12 -0.6181477552E-10
 Norm of gradient is:  0.6281591383E-10
 
 Components of Laplacian in x/y/z are:
 -0.3869266273E+06 -0.3869282084E+06 -0.3869231330E+06
 Total: -0.1160777969E+07
 
 Hessian matrix:
 -0.3869266273E+06 -0.5533222705E+01  0.1018846715E+02
 -0.5533222705E+01 -0.3869282084E+06  0.1198217633E+01
  0.1018846715E+02  0.1198217633E+01 -0.3869231330E+06
 Eigenvalues of Hessian: -0.3869378863E+06 -0.3869260788E+06 -0.3869140036E+06
 Eigenvectors(columns) of Hessian:
  0.7079779168E+00 -0.2325269330E+00 -0.6668571772E+00
  0.4700374925E+00  0.8598766533E+00  0.1991906039E+00
 -0.5270977375E+00  0.4544704242E+00 -0.7180700583E+00
 Determinant of Hessian: -0.5792735591E+17
 Ellipticity of electron density:    0.000031
 eta index:   -1.000062
 
 ----------------   CP   179,     Type (3,-3)   ----------------
 Corresponding nucleus:    55(H )
 Position (Bohr):        0.434440487854   -0.230081065370    5.060222956727
 Position (Angstrom):    0.229896005666   -0.121753656454    2.677754670788
 Density of all electrons:  0.3545360445E+00
 Density of Alpha electrons:  0.1772680222E+00
 Density of Beta electrons:  0.1772680222E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.3831963101E-01
 G(r) in X,Y,Z:  0.1373023435E-01  0.1096370446E-01  0.1362569221E-01
 Hamiltonian kinetic energy K(r):  0.2486499806E+01
 Potential energy density V(r): -0.2524819437E+01
 Energy density E(r) or H(r): -0.2486499806E+01
 Laplacian of electron density: -0.9792720698E+01
 Electron localization function (ELF):  0.9943815416E+00
 Localized orbital locator (LOL):  0.9301043101E+00
 Local information entropy:  0.8551699864E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.3545360445E+00
 Sign(lambda2)*rho with promolecular approximation: -0.2697080779E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.5895316602E-05
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.1532794599E+00
 Wavefunction value for orbital         1 : -0.5065035518E-04
 Average local ionization energy (ALIE):  0.5766152881E+00
 Delta-g (under promolecular approximation):  0.2588505928E+00
 Delta-g (under Hirshfeld partition):  0.4482185567E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.5408618004E+02
 ESP from electrons: -0.4061254134E+02
 Total ESP:  0.1347363870E+02 a.u. ( 0.3666364E+03 eV, 0.8454843E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.2081668171E-15  0.1006139616E-15 -0.1122366089E-14
 Norm of gradient is:  0.1145932908E-14
 
 Components of Laplacian in x/y/z are:
 -0.2858513397E+01 -0.3740649302E+01 -0.3193558000E+01
 Total: -0.9792720698E+01
 
 Hessian matrix:
 -0.2858513397E+01 -0.2003265769E+00 -0.7228644560E+00
 -0.2003265769E+00 -0.3740649302E+01  0.1565812063E+00
 -0.7228644560E+00  0.1565812063E+00 -0.3193558000E+01
 Eigenvalues of Hessian: -0.3784011067E+01 -0.3767799683E+01 -0.2240909948E+01
 Eigenvectors(columns) of Hessian:
 -0.2083004603E+00  0.6005288398E+00 -0.7719948386E+00
 -0.9780551839E+00 -0.1243791730E+00  0.1671462788E+00
  0.4356081363E-02  0.7898702006E+00  0.6132585839E+00
 Determinant of Hessian: -0.3194953986E+02
 Ellipticity of electron density:    0.004303
 eta index:   -1.688605
 
 ----------------   CP   180,     Type (3,-1)   ----------------
 Position (Bohr):        0.560365132111    0.486248497503   -0.302295009507
 Position (Angstrom):    0.296532457698    0.257311623714   -0.159967630001
 Density of all electrons:  0.1382719404E+02
 Density of Alpha electrons:  0.6913597020E+01
 Density of Beta electrons:  0.6913597020E+01
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.1871605625E+03
 G(r) in X,Y,Z:  0.8383599119E+02  0.6298780164E+02  0.4033676966E+02
 Hamiltonian kinetic energy K(r):  0.3038341967E+03
 Potential energy density V(r): -0.4909947592E+03
 Energy density E(r) or H(r): -0.3038341967E+03
 Laplacian of electron density: -0.4666945371E+03
 Electron localization function (ELF):  0.5989296766E+00
 Localized orbital locator (LOL):  0.5499586825E+00
 Local information entropy:  0.1499831544E+00
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.1382719404E+02
 Sign(lambda2)*rho with promolecular approximation: -0.1652955733E+02
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.5787897469E-04
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.4635677344E+02
 Wavefunction value for orbital         1 :  0.5704263685E-05
 Average local ionization energy (ALIE):  0.6254254482E+01
 Delta-g (under promolecular approximation):  0.2052465674E-02
 Delta-g (under Hirshfeld partition):  0.4050566482E-02
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.1777164183E+03
 ESP from electrons: -0.8012331730E+02
 Total ESP:  0.9759310100E+02 a.u. ( 0.2655643E+04 eV, 0.6124065E+05 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
  0.2842170943E-13  0.1776356839E-14  0.1953992523E-13
 Norm of gradient is:  0.3453632419E-13
 
 Components of Laplacian in x/y/z are:
  0.8156665577E+01 -0.1574261907E+03 -0.3174250119E+03
 Total: -0.4666945371E+03
 
 Hessian matrix:
  0.8156665577E+01  0.4604748819E+02 -0.2900632976E+03
  0.4604748819E+02 -0.1574261907E+03 -0.2275403236E+03
 -0.2900632976E+03 -0.2275403236E+03 -0.3174250119E+03
 Eigenvalues of Hessian: -0.5667007176E+03 -0.1443178130E+03  0.2443239935E+03
 Eigenvectors(columns) of Hessian:
  0.3829900063E+00  0.5491595710E+00  0.7427936595E+00
  0.4155741350E+00 -0.8205676912E+00  0.3923860375E+00
  0.8249950263E+00  0.1584059016E+00 -0.5424857389E+00
 Determinant of Hessian:  0.1998203981E+08
 Ellipticity of electron density:    2.926755
 eta index:    2.319464
 
 ----------------   CP   181,     Type (3,-3)   ----------------
 Corresponding nucleus:    56(H )
 Position (Bohr):        2.449718811725    1.011446557901    3.619578950612
 Position (Angstrom):    1.296335368286    0.535234468488    1.915398693728
 Density of all electrons:  0.3607457621E+00
 Density of Alpha electrons:  0.1803728811E+00
 Density of Beta electrons:  0.1803728811E+00
 Spin density of electrons:  0.0000000000E+00
 Lagrangian kinetic energy G(r):  0.3803605343E-01
 G(r) in X,Y,Z:  0.1158433865E-01  0.1304221835E-01  0.1340949643E-01
 Hamiltonian kinetic energy K(r):  0.2598104594E+01
 Potential energy density V(r): -0.2636140648E+01
 Energy density E(r) or H(r): -0.2598104594E+01
 Laplacian of electron density: -0.1024027416E+02
 Electron localization function (ELF):  0.9947736056E+00
 Localized orbital locator (LOL):  0.9324318690E+00
 Local information entropy:  0.8678788470E-02
 Reduced density gradient (RDG):  0.1000000000E+03
 Reduced density gradient with promolecular approximation:  0.1000000000E+03
 Sign(lambda2)*rho: -0.3607457621E+00
 Sign(lambda2)*rho with promolecular approximation: -0.2719088218E+00
 Corr. hole for alpha, ref.:   0.00000   0.00000   0.00000 : -0.2321300127E-04
 Source function, ref.:   0.00000   0.00000   0.00000 :  0.1816470714E+00
 Wavefunction value for orbital         1 : -0.5481928818E-04
 Average local ionization energy (ALIE):  0.5815066499E+00
 Delta-g (under promolecular approximation):  0.2501105803E+00
 Delta-g (under Hirshfeld partition):  0.4406367777E+00
 User-defined real space function:  0.1000000000E+01
 ESP from nuclear charges:  0.5711451376E+02
 ESP from electrons: -0.4212561332E+02
 Total ESP:  0.1498890045E+02 a.u. ( 0.4078687E+03 eV, 0.9405685E+04 kcal/mol)
 
 Note: Below information are for electron density
 
 Components of gradient in x/y/z are:
 -0.2220446049E-15 -0.1318389842E-15  0.3122502257E-15
 Norm of gradient is:  0.4051981340E-15
 
 Components of Laplacian in x/y/z are:
 -0.3668081674E+01 -0.2750875376E+01 -0.3821317113E+01
 Total: -0.1024027416E+02
 
 Hessian matrix:
 -0.3668081674E+01  0.5203990235E+00 -0.1241552730E+00
  0.5203990235E+00 -0.2750875376E+01 -0.2982565720E+00
 -0.1241552730E+00 -0.2982565720E+00 -0.3821317113E+01
 Eigenvalues of Hessian: -0.3909849436E+01 -0.3890096861E+01 -0.2440327865E+01
 Eigenvectors(columns) of Hessian:
  0.6857430994E+00  0.6084498207E+00 -0.3994311171E+00
 -0.4542592466E+00 -0.7100630942E-01 -0.8880352701E+00
 -0.5686870304E+00  0.7904093368E+00  0.2277018705E+00
 Determinant of Hessian: -0.3711663770E+02
 Ellipticity of electron density:    0.005078
 eta index:   -1.602182
 
