HOMO | 0.1940 | |||||||
LUMO | 0.1889 | |||||||
Average | 0.1915 | |||||||
X | ||||||||
C1 | -1.2984 | 0.4016 | 0.1121 | 0.1355 | 0.0416 | 0.1256 | ||
C2 | -1.0888 | 0.1381 | 0.0971 | 0.0206 | 0.0416 | |||
C3 | -1.1663 | 0.3159 | 0.0971 | 0.1355 | ||||
C4 | -1.1663 | 0.1381 | 0.1121 | |||||
C5 | -1.0888 | 0.4016 | ||||||
C6 | -1.2984 | |||||||
X | ||||||||
C1 | 0.0933 | 0.0951 | 0.1001 | 0.0564 | 0.0358 | 0.0307 | 0.0321 | 0.0385 |
C2 | 0.0884 | 0.0897 | 0.1141 | 0.0343 | 0.0333 | 0.0767 | 0.0117 | 0.0104 |
C3 | 0.0314 | 0.0172 | 0.0336 | 0.0968 | 0.0750 | 0.0472 | 0.0294 | 0.0369 |
C4 | 0.0294 | 0.0369 | 0.0472 | 0.0750 | 0.0968 | 0.0336 | 0.0314 | 0.0172 |
C5 | 0.0117 | 0.0104 | 0.0767 | 0.0333 | 0.0343 | 0.1141 | 0.0884 | 0.0897 |
C6 | 0.0321 | 0.0385 | 0.0307 | 0.0358 | 0.0564 | 0.1001 | 0.0933 | 0.0951 |
H7 | -0.4492 | 0.0607 | 0.0432 | 0.0227 | 0.0065 | 0.0114 | 0.0074 | 0.0108 |
H8 | -0.4461 | 0.0410 | 0.0114 | 0.0137 | 0.0081 | 0.0108 | 0.0126 | |
H9 | -0.4897 | 0.0285 | 0.0214 | 0.0028 | 0.0114 | 0.0081 | ||
H10 | -0.4748 | 0.0390 | 0.0214 | 0.0065 | 0.0137 | |||
H11 | -0.4748 | 0.0285 | 0.0227 | 0.0114 | ||||
H12 | -0.4897 | 0.0432 | 0.0410 | |||||
H13 | -0.4492 | 0.0607 | ||||||
H14 | -0.4460 |