Species
ΔH
f
(K
cal
/ Mol
Difference
Experiment
PM3
MNDO
AMI
Cyclopentadiene
32.10
-0.40
-0.08
4.90
Benzene
19.81
3.58
1.44
2.14
Naphthalene
36.05
4.51
2.15
4.42
Biphenyl
43.53
4.39
2.39
3.93
Anthracene
55.20
6.30
3.47
7.56
Table 2:
Heats of Formation (MOPAC 93 Manual).
