Errors in I.P. (eV)

Empirical Chemical Name

Expt.

PM7

PM6

RM1

PM3

AM1

MNDOD

MNDO

C2H4SO Thiolacetic acid

9.70

-0.02

0.16

0.43

0.35

0.32

-0.04

0.83
C2H6SO Dimethyl sulfoxide

9.01

-0.39

-0.65

0.08

0.35

0.52

0.14

0.79