Molecule: molecules/M108.xyz
N A X Y Z ESP (i) (ii) (iii) (iv)
-- -- --- --- --- --- ------ ------ ------ ------
1 6 1.0370 0.9557 -0.6042 0.6707 0.7901 0.5836 0.6289 0.6888
2 8 -1.1483 0.4395 0.0097 -0.6334 -0.5361 -0.6693 -0.6147 -0.5970
3 8 0.5552 -0.9700 0.8076 -0.6338 -0.5361 -0.6693 -0.6148 -0.5971
4 6 0.0201 -0.8694 -1.6797 -0.4230 -0.3122 -0.2724 -0.3494 -0.3791
5 6 1.0838 1.4705 0.2145 -0.4237 -0.3125 -0.2724 -0.3504 -0.3798
6 1 -1.4294 1.0147 -0.7167 0.3800 0.2210 0.3775 0.4150 0.4031
7 1 -0.1476 -1.7920 0.9670 0.3802 0.2209 0.3775 0.4150 0.4031
8 1 0.5871 -0.3717 1.7240 0.1280 0.0795 0.0908 0.0919 0.0901
9 1 1.5495 -1.3806 0.6166 0.1138 0.0859 0.0908 0.0687 0.0652
10 1 -0.2823 -0.1937 -2.4865 0.0994 0.0670 0.0908 0.0742 0.0735
11 1 -0.7161 -1.6719 -1.5931 0.1139 0.0859 0.0908 0.0688 0.0652
12 1 0.9892 -1.2988 -1.9470 0.0996 0.0670 0.0908 0.0743 0.0736
13 1 0.0000 0.0000 0.0000 0.1283 0.0796 0.0908 0.0923 0.0903
------ ------ ------ ------ ------
Sigma: 24.31 17.37 10.93 9.23