Molecule: molecules/M010.xyz
N A X Y Z ESP (i) (ii) (iii) (iv)
-- -- --- --- --- --- ------ ------ ------ ------
1 14 0.3640 0.7940 -1.4120 0.9889 0.7711 0.7512 0.8696 0.9087
2 8 -0.2370 -0.8110 -1.2280 -0.6842 -0.5599 -0.5972 -0.5680 -0.5832
3 14 0.9790 -1.3820 -0.1470 1.0850 0.9961 0.9728 1.0630 1.0800
4 8 2.2830 -0.8340 0.8540 -0.6842 -0.5597 -0.5972 -0.5678 -0.5830
5 14 2.3170 0.8210 0.3380 0.9923 0.7713 0.7512 0.8696 0.9087
6 8 -1.7080 -0.7320 -0.3820 -0.6906 -0.5615 -0.5972 -0.5583 -0.5789
7 8 -2.9130 -0.3570 0.7900 -0.5908 -0.5651 -0.5972 -0.5593 -0.5746
8 14 0.8640 2.9880 -0.0150 0.7038 0.5652 0.5296 0.6672 0.6977
9 1 2.3980 2.4290 -1.7500 -0.1502 -0.1099 -0.0770 -0.1582 -0.1673
10 1 -0.3950 -1.5620 -2.4360 -0.1511 -0.1109 -0.0770 -0.1581 -0.1672
11 1 3.5160 -1.5180 0.5330 -0.1116 -0.1205 -0.0770 -0.1774 -0.1799
12 1 1.9830 -0.9410 2.2640 -0.1527 -0.1107 -0.0770 -0.1579 -0.1670
13 1 -2.7240 -1.1650 1.9850 -0.1513 -0.1101 -0.0770 -0.1584 -0.1676
14 1 -4.2170 -0.6530 0.2130 -0.1322 -0.0986 -0.0770 -0.1358 -0.1426
15 1 -2.8610 1.0500 1.1570 -0.1416 -0.0971 -0.0770 -0.1334 -0.1400
16 1 0.0000 0.0000 0.0000 -0.1290 -0.0997 -0.0770 -0.1371 -0.1441
------ ------ ------ ------ ------
Sigma: 18.12 19.66 12.10 9.74