Date: Thu Mar 11 09:02:28 2021

Errors in I.P.

Errors in I.P. (eV)

Empirical

Name

Expt.

PM7

PM6-D3H4

PM6

PM6-DH2X

PM6-DH+

RM1

CPH Methinophosphine

10.79

1.81

0.33

0.33

0.33

0.33

-0.10
CPH5 Methylphosphine

9.72

0.55

-0.43

-0.41

-0.41

-0.41

-0.23
C2PH7 Dimethylphosphine

9.10

0.44

-0.18

-0.16

-0.16

-0.16

-0.01
C3PH9 Trimethylphosphine

8.60

0.41

0.04

0.06

0.06

0.06

0.26