Molecule: molecules/M008.xyz
N A X Y Z ESP (i) (ii) (iii) (iv)
-- -- --- --- --- --- ------ ------ ------ ------
1 14 -2.0110 -1.5440 0.2590 0.1388 0.1271 0.1540 0.1229 0.1354
2 14 0.2570 -2.2980 0.2810 0.1389 0.1271 0.1540 0.1229 0.1355
3 14 1.4930 -0.9210 -1.2340 0.1390 0.1270 0.1540 0.1229 0.1353
4 14 1.4640 1.3090 -0.3710 0.1385 0.1271 0.1540 0.1229 0.1354
5 14 -0.8050 2.0640 -0.3930 0.1389 0.1271 0.1540 0.1229 0.1354
6 14 -3.4280 1.1660 1.2160 0.1390 0.1271 0.1540 0.1229 0.1354
7 1 -1.4290 0.7250 2.4600 -0.0680 -0.0594 -0.0770 -0.0583 -0.0641
8 1 -2.5450 -1.5660 -1.1120 -0.0710 -0.0677 -0.0770 -0.0646 -0.0712
9 1 -2.8360 -2.4170 1.1090 -0.0709 -0.0677 -0.0770 -0.0646 -0.0713
10 1 0.3200 -3.7020 -0.1560 -0.0679 -0.0594 -0.0770 -0.0583 -0.0641
11 1 0.8160 -2.1940 1.6370 -0.0681 -0.0594 -0.0770 -0.0583 -0.0641
12 1 0.8820 -0.9590 -2.5720 -0.0708 -0.0677 -0.0770 -0.0646 -0.0713
13 1 2.8810 -1.4020 -1.3270 -0.0708 -0.0677 -0.0770 -0.0646 -0.0713
14 1 1.9970 1.3330 1.0000 -0.0678 -0.0594 -0.0770 -0.0583 -0.0641
15 1 2.2880 2.1830 -1.2220 -0.0708 -0.0677 -0.0770 -0.0646 -0.0713
16 1 -1.3640 1.9600 -1.7500 -0.0680 -0.0594 -0.0770 -0.0583 -0.0641
17 1 -0.8660 3.4680 0.0440 -0.0709 -0.0677 -0.0770 -0.0646 -0.0712
18 1 0.0000 0.0000 0.0000 -0.0680 -0.0594 -0.0770 -0.0583 -0.0641
------ ------ ------ ------ ------
Sigma: 8.76 10.98 11.57 3.04