 Note: the E(HOMO) of TCE used for evaluating nucleophilicity index is the value evaluated at B3LYP/6-31G* level
 
 Hirshfeld charges, condensed Fukui functions and condensed dual descriptors
 Units used below are "e" (elementary charge)
     Atom     q(N)    q(N+1)   q(N-1)     f-       f+       f0      CDD
     1(C )  -0.0587  -0.1185   0.0852   0.1439   0.0598   0.1018  -0.0841
     2(C )  -0.0390  -0.1674   0.0268   0.0658   0.1284   0.0971   0.0626
     3(C )  -0.0597  -0.1873   0.0319   0.0916   0.1276   0.1096   0.0360
     4(C )   0.0737   0.0216   0.1739   0.1001   0.0522   0.0762  -0.0480
     5(C )  -0.0731  -0.1956   0.0090   0.0821   0.1225   0.1023   0.0404
     6(C )  -0.0415  -0.1730   0.0336   0.0751   0.1315   0.1033   0.0563
     7(H )   0.0417  -0.0048   0.0993   0.0576   0.0464   0.0520  -0.0112
     8(H )   0.0450  -0.0193   0.0904   0.0455   0.0642   0.0548   0.0187
     9(H )   0.0473  -0.0160   0.0953   0.0480   0.0633   0.0557   0.0153
    10(H )   0.0387  -0.0230   0.0854   0.0467   0.0617   0.0542   0.0150
    11(H )   0.0444  -0.0207   0.0914   0.0470   0.0651   0.0561   0.0181
    12(O )  -0.1977  -0.2443  -0.0517   0.1460   0.0465   0.0963  -0.0995
    13(H )   0.1789   0.1482   0.2294   0.0505   0.0307   0.0406  -0.0197
 
 Condensed local electrophilicity/nucleophilicity index (e*eV)
     Atom              Electrophilicity          Nucleophilicity
     1(C )                  0.02575                  0.45535
     2(C )                  0.05533                  0.20827
     3(C )                  0.05496                  0.28981
     4(C )                  0.02249                  0.31687
     5(C )                  0.05280                  0.25977
     6(C )                  0.05665                  0.23773
     7(H )                  0.02001                  0.18234
     8(H )                  0.02767                  0.14394
     9(H )                  0.02729                  0.15195
    10(H )                  0.02659                  0.14779
    11(H )                  0.02807                  0.14875
    12(O )                  0.02005                  0.46204
    13(H )                  0.01325                  0.15965
 
 Condensed local softness (e/Hartree), relative electrophilicity/nucleophilicity (dimensionless) and condensed local hyper-softness (e/Hartree^2)
     Atom         s-          s+          s0        s+/s-       s-/s+       s(2)
     1(C )      0.3761      0.1562      0.2661      0.4154      2.4076     -0.5745
     2(C )      0.1720      0.3356      0.2538      1.9509      0.5126      0.4274
     3(C )      0.2393      0.3333      0.2863      1.3927      0.7181      0.2456
     4(C )      0.2617      0.1364      0.1990      0.5211      1.9189     -0.3275
     5(C )      0.2145      0.3202      0.2674      1.4925      0.6700      0.2761
     6(C )      0.1963      0.3436      0.2700      1.7500      0.5714      0.3848
     7(H )      0.1506      0.1213      0.1360      0.8057      1.2411     -0.0765
     8(H )      0.1189      0.1678      0.1433      1.4116      0.7084      0.1278
     9(H )      0.1255      0.1655      0.1455      1.3187      0.7583      0.1045
    10(H )      0.1221      0.1612      0.1416      1.3211      0.7570      0.1024
    11(H )      0.1228      0.1702      0.1465      1.3858      0.7216      0.1239
    12(O )      0.3816      0.1216      0.2516      0.3186      3.1384     -0.6794
    13(H )      0.1319      0.0804      0.1061      0.6094      1.6409     -0.1346
 
 E(N):     -307.464860 Hartree
 E(N+1):     -307.383614 Hartree
 E(N-1):     -307.163438 Hartree
 E_HOMO(N):     -0.218913 Hartree,   -5.9569 eV
 E_HOMO(N+1):    0.161297 Hartree,    4.3891 eV
 E_HOMO(N-1):   -0.464864 Hartree,  -12.6496 eV
 First vertical IP:     0.301421 Hartree,    8.2021 eV
 First vertical EA:    -0.081246 Hartree,   -2.2108 eV
 Mulliken electronegativity:     0.110088 Hartree,    2.9956 eV
 Chemical potential:            -0.110088 Hartree,   -2.9956 eV
 Hardness (=fundamental gap):    0.382667 Hartree,   10.4129 eV
 Softness:      2.613235 Hartree^-1,    0.0960 eV^-1
 Softness^2:    6.828998 Hartree^-2,    0.0092 eV^-2
 Electrophilicity index:    0.015835 Hartree,    0.4309 eV
 Nucleophilicity index:     0.116285 Hartree,    3.1643 eV
