IV
.
D
.3.a. (
XVIII
.
A
.3.)
Species with point groups that differ from experiment at CCSD(T)/aug-cc-pVTZ
Point group
Species
Name
Experimental
Calculated
BH
3
-
boron trihydride anion
C
3v
D
3h
C
2
H
4
+
Ethylene cation
D
2h
D
2
HCN
-
Hydrogen cyanide anion
C
s
C
∞v
NH
3
NH
3
Ammonia Dimer
C
2h
C
s
ONNO
NO dimer
C
2h
C
2v
