HOMO | 0.1834 | ||||||
LUMO | 0.1788 | ||||||
Average | 0.1811 | ||||||
X | |||||||
C1 | −1.3182 | 0.3348 | 0.1527 | 0.0899 | 0.0930 | 0.0548 | 0.1261 |
C2 | -1.1512 | 0.1970 | 0.0929 | 0.0540 | 0.0275 | 0.0548 | |
C3 | -1.2008 | 0.2400 | 0.1188 | 0.0540 | 0.0930 | ||
C4 | -1.2032 | 0.2400 | 0.0929 | 0.0899 | |||
C5 | -1.2008 | 0.1970 | 0.1527 | ||||
C6 | -1.1512 | 0.3348 | |||||
C7 | -1.3182 | ||||||
X | |||||||
C1 | 0.0923 | 0.0871 | 0.0729 | 0.0554 | 0.0278 | 0.0346 | 0.0250 |
C2 | 0.0798 | 0.0765 | 0.0967 | 0.0456 | 0.0338 | 0.0138 | 0.0140 |
C3 | 0.0213 | 0.0388 | 0.0409 | 0.0890 | 0.0490 | 0.0408 | 0.0169 |
C4 | 0.0246 | 0.0188 | 0.0363 | 0.0558 | 0.0865 | 0.0558 | 0.0363 |
C5 | 0.0229 | 0.0257 | 0.0169 | 0.0408 | 0.0490 | 0.0890 | 0.0409 |
C6 | 0.0161 | 0.0139 | 0.0140 | 0.0138 | 0.0338 | 0.0456 | 0.0967 |
C7 | 0.0371 | 0.0347 | 0.0250 | 0.0346 | 0.0278 | 0.0554 | 0.0729 |
H8 | -0.4415 | 0.0537 | 0.0338 | 0.0107 | 0.0107 | 0.0087 | 0.0080 |
H9 | -0.4487 | 0.0348 | 0.0210 | 0.0050 | 0.0126 | 0.0057 | |
H10 | -0.4433 | 0.0272 | 0.0186 | 0.0037 | 0.0088 | ||
H11 | -0.4666 | 0.0289 | 0.0190 | 0.0037 | |||
H12 | -0.4338 | 0.0289 | 0.0186 | ||||
H13 | -0.4666 | 0.0272 | |||||
H14 | -0.4433 |