IV
.
D
.3.a. (
XVIII
.
A
.3.)
Species with point groups that differ from experiment at QCISD(T)/6-31+G**
Point group
Species
Name
Experimental
Calculated
HD
Deuterium hydride
C
∞v
D
∞h
C
3
carbon trimer
D
∞h
C
2v
CaF
2
Calcium difluoride
C
2v
D
∞h
