IV
.
D
.3.a. (
XVIII
.
A
.3.)
Species with point groups that differ from experiment at ROHF/6-311G**
Point group
Species
Name
Experimental
Calculated
CF
3
+
Trifluoromethyl cation
D
3h
C
3v
SO
3
-
Sulfur trioxide anion
D
3h
C
3v
