IV
.
D
.3.a. (
XVIII
.
A
.3.)
Species with point groups that differ from experiment at CCSD(T)/6-31G**
Point group
Species
Name
Experimental
Calculated
HD
Deuterium hydride
C
∞v
D
∞h
MgOH
magnesium hydroxide
C
∞v
C
s
C
3
H
4
cyclopropene
C
2v
C
2
C
3
H
7
n-Propyl radical
C
1
C
s
