Molecule: molecules/M015.xyz
N A X Y Z ESP (i) (ii) (iii) (iv)
-- -- --- --- --- --- ------ ------ ------ ------
1 8 -0.4655 0.6047 -1.7188 -0.6677 -0.5782 -0.6761 -0.7197 -0.7323
2 14 -0.8364 0.1154 -3.2573 0.6514 0.8814 0.8958 0.7978 0.7511
3 8 -1.5774 -0.1354 -0.7394 -0.6516 -0.5376 -0.6761 -0.6735 -0.6985
4 8 1.7584 0.3053 -1.0588 -0.5181 -0.5707 -0.5972 -0.5580 -0.5652
5 14 2.6462 -0.7819 -1.9283 0.7019 0.9533 0.8958 0.8462 0.8575
6 8 1.8340 -0.2690 0.4943 -0.6547 -0.5311 -0.6761 -0.6588 -0.6796
7 8 2.4704 1.7951 -1.1921 -0.4883 -0.5647 -0.5972 -0.5523 -0.5623
8 8 -1.9062 -0.2761 0.8663 -0.5780 -0.5288 -0.6761 -0.6729 -0.6967
9 14 0.5124 -2.2304 1.8614 1.1330 1.2720 1.1940 1.2170 1.1440
10 8 -2.3399 -1.8043 1.2700 -0.6975 -0.5696 -0.6761 -0.7235 -0.7239
11 8 -3.1232 0.7682 1.1950 -0.7072 -0.5323 -0.6761 -0.7011 -0.7072
12 8 -0.5313 0.1313 1.6952 -0.6705 -0.5123 -0.6761 -0.6567 -0.6702
13 8 0.9168 -0.6257 1.8018 -0.6159 -0.5765 -0.5972 -0.5779 -0.5710
14 14 1.7404 -0.2234 3.1592 1.0600 1.2240 1.1940 1.1920 1.1250
15 8 -3.5472 0.6536 2.0525 -0.6561 -0.5109 -0.6761 -0.6612 -0.6787
16 1 -1.5805 -2.3521 1.5259 0.4248 0.1948 0.3775 0.3545 0.3980
17 1 1.2348 -2.8657 1.9190 0.4224 0.2149 0.3775 0.3996 0.4380
18 1 2.3801 0.4911 3.0651 0.4341 0.2043 0.3775 0.3893 0.4222
19 1 3.0110 -0.4445 -2.7545 0.4141 0.1958 0.3775 0.3609 0.4071
20 1 1.8245 2.5139 -1.2431 0.4263 0.2129 0.3775 0.3831 0.4208
21 1 -1.3699 2.6897 -1.8917 0.3575 0.2049 0.3775 0.3922 0.4339
22 1 -1.4400 -0.6357 -3.3065 0.4586 0.2363 0.3775 0.4267 0.4542
23 1 0.0000 0.0000 0.0000 0.4215 0.2182 0.3775 0.3959 0.4335
------ ------ ------ ------ ------
Sigma: 26.90 13.65 10.57 9.23