Molecule: molecules/M020.xyz
N A X Y Z ESP (i) (ii) (iii) (iv)
-- -- --- --- --- --- ------ ------ ------ ------
1 8 -1.4325 1.1588 0.2621 -0.7548 -0.5595 -0.6761 -0.7030 -0.7173
2 14 -2.8685 0.4422 -0.1556 0.7550 0.9134 0.8958 0.8261 0.8010
3 8 -0.7864 0.2086 1.4555 -0.6463 -0.5246 -0.6761 -0.6537 -0.6777
4 8 0.0801 1.2831 -1.5030 -0.4779 -0.5688 -0.5972 -0.5387 -0.5600
5 14 -0.8379 1.2517 -2.8851 0.6755 0.9204 0.8958 0.8262 0.8118
6 8 1.1000 -0.0114 -1.4376 -0.7294 -0.5641 -0.6761 -0.7109 -0.7231
7 8 1.0806 2.6039 -1.4441 -0.4055 -0.5531 -0.5972 -0.5191 -0.5431
8 8 0.2740 -1.0645 1.5898 -0.6743 -0.5249 -0.6761 -0.6518 -0.6765
9 14 3.0104 -1.4464 -0.1730 0.7118 0.9215 0.8958 0.8318 0.7944
10 8 -0.4710 -2.5248 1.8048 -0.7357 -0.5495 -0.6761 -0.6850 -0.7002
11 8 1.1721 -0.7894 2.9537 -0.7108 -0.5558 -0.6761 -0.6986 -0.7129
12 8 1.3865 -1.3133 -0.4506 -0.6156 -0.5238 -0.6761 -0.6574 -0.6846
13 14 0.7798 -2.6185 -1.2759 0.7479 0.9331 0.8958 0.8394 0.8367
14 8 -3.1711 0.6464 -1.0492 -0.6817 -0.5254 -0.6761 -0.6637 -0.6865
15 1 -2.2886 2.7967 1.5630 0.4044 0.1996 0.3775 0.3763 0.4146
16 1 1.4207 0.1285 3.1126 0.4766 0.2364 0.3775 0.4125 0.4425
17 1 -0.8720 -2.6822 2.6689 0.3821 0.2041 0.3775 0.3748 0.4164
18 1 3.5720 -1.5413 -0.9527 0.4675 0.2426 0.3775 0.4170 0.4475
19 1 0.5054 -3.3491 -0.7069 0.4736 0.2366 0.3775 0.4039 0.4361
20 1 0.6314 3.4459 -1.3003 0.4258 0.2042 0.3775 0.3836 0.4226
21 1 -0.3659 1.1119 -3.7162 0.4397 0.2009 0.3775 0.3725 0.4119
22 1 0.0000 0.0000 0.0000 0.4722 0.2369 0.3775 0.4178 0.4466
------ ------ ------ ------ ------
Sigma: 31.51 17.27 11.07 9.74