Molecule: molecules/M017.xyz
N A X Y Z ESP (i) (ii) (iii) (iv)
-- -- --- --- --- --- ------ ------ ------ ------
1 8 -1.6728 -0.3917 0.8396 -0.8014 -0.6037 -0.6761 -0.7582 -0.7540
2 14 -1.8948 -1.8344 1.6294 0.8573 0.9882 0.8958 0.8794 0.8193
3 8 -0.0598 -0.7047 -0.8243 -0.6469 -0.5205 -0.6761 -0.6735 -0.6943
4 14 -3.1754 0.2087 0.4838 0.4183 0.6257 0.5972 0.4872 0.4772
5 8 1.7782 0.7034 -0.4648 -0.6965 -0.5228 -0.6761 -0.6621 -0.6825
6 14 -0.5791 -0.4196 -2.3846 0.7404 0.9496 0.8958 0.8253 0.7569
7 8 0.2521 -2.3364 -0.5724 -0.5920 -0.5405 -0.6761 -0.6658 -0.6931
8 8 1.6567 1.5094 0.9707 -0.6730 -0.5828 -0.6761 -0.7059 -0.7258
9 8 1.6693 1.6621 -1.8234 -0.6359 -0.5393 -0.6761 -0.7028 -0.7162
10 8 3.2878 0.0039 -0.4729 -0.7089 -0.5601 -0.6761 -0.7031 -0.7147
11 8 2.3949 2.2781 -1.9879 -0.6513 -0.5283 -0.6761 -0.6682 -0.6894
12 1 3.6821 -0.0570 0.4058 0.4595 0.2407 0.3775 0.4231 0.4537
13 1 0.7735 1.4632 1.3836 0.4007 0.2232 0.3775 0.3993 0.4371
14 1 -0.0740 0.2834 -2.8178 0.3780 0.2259 0.3775 0.4403 0.4725
15 1 0.9782 -2.7192 -1.0809 0.3871 0.2298 0.3775 0.4221 0.4569
16 1 -1.2422 -2.5022 1.3760 0.4346 0.2324 0.3775 0.4239 0.4507
17 1 -1.5610 1.2103 2.4486 0.3874 0.2163 0.3775 0.4036 0.4462
18 1 -3.8380 -0.4539 0.2556 0.5084 0.2459 0.3775 0.4423 0.4646
19 1 0.0000 0.0000 0.0000 0.4340 0.2204 0.3775 0.3931 0.4348
------ ------ ------ ------ ------
Sigma: 29.11 13.27 7.83 8.85