IV
.
D
.3.a. (
XVIII
.
A
.3.)
Species with point groups that differ from experiment at B1B95/aug-cc-pVTZ
Point group
Species
Name
Experimental
Calculated
BH
3
-
boron trihydride anion
C
3v
D
3h
ONNO
NO dimer
C
2h
C
2v
SO
3
-
Sulfur trioxide anion
D
3h
C
3v
C
6
H
12
O
2
Hexanoic acid
C
s
C
1
