AM1 vs. PM3

Comparison of Results

Strained Rings:  DH_f

Structure	AM1	PM3	Expt (gas)
	17.78	16.27	12.74
	-0.987	-3.79	4.38
	-28.79	-23.89	-18.26
	-38.54	-31.03	-29.43
	-37.67 (boat) -40.75 (chair)	-27.90(boat) -30.87 (chair)	-28.18

Hypervalent compounds

	AM1	PM3	Expt
	-39.36	-38.81	-35.97
S-O (Å)	1.491	1.557	1.485
C-S (Å)	1.739	1.818	1.799
	-70.28	-76.33	-89.1
S-O (Å)	1.400	1.468	1.431
C-S (Å)	1.689	1.793	1.777

Dipole Moments

	AM1	PM3	Expt.
CO	0.0612	0.184	0.112
CHCl3	1.156	1.015	1.01
CH3I	1.351	1.442	1.62
	2.92	2.78	2.88
	1.92	1.67	1.63
	1.95	2.18	1.84
	3.95	4.49	3.96
	4.15	4.97	4.49

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12/09/03