Molecule: molecules/M016.xyz
N A X Y Z ESP (i) (ii) (iii) (iv)
-- -- --- --- --- --- ------ ------ ------ ------
1 8 0.0690 -1.1602 0.0878 -0.6702 -0.5409 -0.6761 -0.6705 -0.6897
2 14 1.3985 -1.3979 -0.8813 0.7325 0.9915 0.8958 0.8451 0.7853
3 8 -0.0690 1.1602 0.0878 -0.7161 -0.5694 -0.6761 -0.7090 -0.7182
4 14 -1.3467 -1.7945 -0.5052 0.7325 0.9915 0.8958 0.8451 0.7853
5 8 -0.3559 1.9623 1.5096 -0.6311 -0.5351 -0.6761 -0.6788 -0.6995
6 8 -1.3985 1.3979 -0.8813 -0.6702 -0.5409 -0.6761 -0.6705 -0.6897
7 8 1.3467 1.7945 -0.5052 -0.7161 -0.5694 -0.6761 -0.7090 -0.7182
8 8 -0.4396 -2.2913 1.9447 -0.6311 -0.5351 -0.6761 -0.6788 -0.6995
9 1 -1.8559 -1.1610 -1.0286 0.4250 0.2158 0.3775 0.3947 0.4335
10 1 1.7320 -2.3018 -0.9479 0.3900 0.2028 0.3775 0.3985 0.4387
11 1 1.8559 1.1609 -1.0286 0.4699 0.2354 0.3775 0.4200 0.4499
12 1 0.4397 2.2913 1.9447 0.3900 0.2028 0.3775 0.3985 0.4387
13 1 -1.7320 2.3019 -0.9479 0.4250 0.2158 0.3775 0.3947 0.4335
14 1 0.0000 0.0000 0.0000 0.4699 0.2353 0.3775 0.4200 0.4499
------ ------ ------ ------ ------
Sigma: 31.84 12.98 8.69 6.61