Molecule: molecules/M009.xyz
N A X Y Z ESP (i) (ii) (iii) (iv)
-- -- --- --- --- --- ------ ------ ------ ------
1 14 1.1370 0.6390 0.3020 0.7402 0.7948 0.7512 0.8852 0.9227
2 8 2.2160 -0.5260 -0.3570 -0.5102 -0.5615 -0.5972 -0.5488 -0.5691
3 14 -1.5680 0.5900 0.3250 0.6253 0.5674 0.5296 0.6714 0.7008
4 8 -2.6180 -0.5970 -0.3430 -0.5101 -0.5616 -0.5972 -0.5488 -0.5691
5 14 -0.2190 1.6280 2.2720 0.6258 0.5671 0.5296 0.6714 0.7007
6 1 -0.2550 2.8150 0.1910 -0.1161 -0.1059 -0.0770 -0.1567 -0.1649
7 1 1.8240 -0.8720 -1.7150 -0.1158 -0.1056 -0.0770 -0.1565 -0.1647
8 1 2.2110 -1.7320 0.4590 -0.1206 -0.0993 -0.0770 -0.1368 -0.1435
9 1 3.5550 0.0420 -0.3720 -0.1224 -0.0998 -0.0770 -0.1370 -0.1436
10 1 -2.6050 -1.7960 0.4820 -0.1266 -0.0983 -0.0770 -0.1347 -0.1411
11 1 -2.2010 -0.9460 -1.6930 -0.1223 -0.0996 -0.0770 -0.1368 -0.1434
12 1 -3.9660 -0.0510 -0.3820 -0.1204 -0.0994 -0.0770 -0.1370 -0.1436
13 1 0.0000 0.0000 0.0000 -0.1267 -0.0983 -0.0770 -0.1347 -0.1411
------ ------ ------ ------ ------
Sigma: 9.77 15.86 12.87 17.27