IV
.
D
.3.a. (
XVIII
.
A
.3.)
Species with point groups that differ from experiment at QCISD/cc-pV(T+d)Z
Point group
Species
Name
Experimental
Calculated
HDO
Water-d1
C
s
C
2v
MgOH
magnesium hydroxide
C
∞v
C
s
NO
3
Nitrogen trioxide
D
3h
C
2v
