IV
.
D
.3.a. (
XVIII
.
A
.3.)
Species with point groups that differ from experiment at CCSD(T)/3-21G
Point group
Species
Name
Experimental
Calculated
NH
3
NH
3
Ammonia Dimer
C
2h
C
s
H
2
OH
2
CO
water formaldehyde dimer
C
s
C
1
CaF
2
Calcium difluoride
C
2v
D
∞h
