IV
.
D
.3.a. (
XVIII
.
A
.3.)
Species with point groups that differ from experiment at B1B95/SDD
Point group
Species
Name
Experimental
Calculated
HD
Deuterium hydride
C
∞v
D
∞h
C(NH
2
)H
2
CH
2
CH
2
CH
3
1-Butanamine
C
1
C
s
