IV
.
D
.3.a. (
XVIII
.
A
.3.)
Species with point groups that differ from experiment at CID/6-31G**
Point group
Species
Name
Experimental
Calculated
C
6
H
14
Butane, 2,3-dimethyl-
C
2
C
2h
C
2
H
5
NO
3
Nitric acid, ethyl ester
C
1
C
s
