Date: Thu Mar 11 09:02:28 2021

Errors in Dipole

Errors in Dipole (D)

Empirical

Name

Expt.

PM7

PM6-D3H4

PM6

PM6-DH2X

PM6-DH+

RM1

CPH Methinophosphide

0.39

0.87

0.10

0.10

0.10

0.10

0.83
CPH5 Methylphosphine

1.10

1.71

0.74

0.75

0.75

0.75

0.26
C2PH7 Dimethylphosphine

1.23

1.83

0.45

0.49

0.49

0.49

0.03
C3PH9 Trimethylphosphine

1.19

1.76

0.21

0.28

0.28

0.28

-0.14