IV
.
D
.3.a. (
XVIII
.
A
.3.)
Species with point groups that differ from experiment at MP2FC/aug-cc-pVQZ
Point group
Species
Name
Experimental
Calculated
HD
Deuterium hydride
C
∞v
D
∞h
BH
3
-
boron trihydride anion
C
3v
D
3h
SO
3
-
Sulfur trioxide anion
D
3h
C
3v
