Cory Pye's Small Molecule Structure Database - Ab initio
Bonds with smallest atom H
.
H-H (in HH)
Level
H-H (Angst.)
E (a.u.)
HF/STO-3G
0.712230
-1.117506
HF/X-21G
0.734823
-1.122960
HF/X-21G**
0.737240
-1.126939
HF/X-31G
0.729952
-1.126828
HF/X-31G**
0.732559
-1.131334
HF/6-311G
0.731574
-1.128038
HF/6-311G**
0.735461
-1.132491
Copyright © Cory Pye, 2003.