IV
.
D
.3.a. (
XVIII
.
A
.3.)
Species with point groups that differ from experiment at MP4/3-21G*
Point group
Species
Name
Experimental
Calculated
H
2
O
2
Hydrogen peroxide
C
2
C
2h
C
2
H
4
N
2
O
2
Oxalamide
C
1
C
2h
