Date: Thu Mar 11 09:02:29 2021

Errors in Dipole

Errors in Dipole (D)

Empirical

Name

Expt.

PM7

PM6-D3H4

PM6

PM6-DH2X

PM6-DH+

RM1

CH3Cl Methyl chloride

1.89

0.20

0.05

0.03

0.03

0.03

0.45
C2HCl Chloroacetylene

0.44

0.16

-0.23

-0.23

-0.23

-0.23

-0.17