Date: Thu Mar 11 09:02:27 2021

Errors in Dipole

Errors in Dipole (D)

Empirical

Name

Expt.

PM7

PM6-D3H4

PM6

PM6-DH2X

PM6-DH+

RM1

C3NH7O Dimethylformamide

3.82

0.58

0.68

0.69

0.69

0.69

-0.28