IV
.
D
.3.a. (
XVIII
.
A
.3.)
Species with point groups that differ from experiment at B2PLYP/cc-pVTZ
Point group
Species
Name
Experimental
Calculated
C
2
H
5
OO
ethylperoxy radical
C
s
C
1
C
6
H
10
Bicyclo[3.1.0]hexane
C
s
C
1
