Table 9.52: Comparison of Calculated and Observed Geometries for MNDO, AM1, and PM3
Empirical	Chemical Name	Geometric	Exp.	Errors
Formula		Variable		PM3	MNDO	AM1	Ref.
H2	Hydrogen	HH	0.741	-0.042	-0.078	-0.064	a
CH2	Methylene, singlet	CH	1.110	-0.018	-0.019	-0.007	a
		HCH	102.4	1.3	8.7	8.1
CH2	Methylene, triplet	CH	1.029	0.033	0.023	0.034	a
		HCH	136.0	9.1	13.7	12.4
CH4	Methane	CH	1.094	-0.007	0.010	0.018	b
C2	Carbon, dimer	CC	1.242	-0.053	-0.073	-0.078	a
C2H2	Acetylene	CC	1.203	-0.013	-0.008	-0.008	b
		CH	1.060	0.004	-0.009	0.001
C2H4	Ethylene	CC	1.339	-0.017	-0.004	-0.013	b
		CH	1.086	0.000	0.003	0.012
		HCC	121.2	1.9	2.0	1.5
C2H6	Ethane	CC	1.536	-0.032	-0.015	-0.036	b
		CH	1.091	0.007	0.018	0.026
		HCC	110.9	0.7	0.3	-0.2
C3H4	Allene	CC	1.308	-0.012	-0.002	-0.010	c
		CH	1.087	-0.001	0.003	0.013
		HCC	120.9	1.3	1.9	1.2
C3H4	Cyclopropene	C2C3	1.509	-0.025	0.003	-0.020	d
		C1C2	1.296	0.018	0.032	0.023
		C1H	1.072	0.001	-0.010	-0.003
		HC1C2	149.9	1.6	1.7	2.0
C3H4	Propyne	C2C1	1.206	-0.014	-0.009	-0.009	e
		C1H	1.056	0.008	-0.005	0.004
		C3C3	1.459	-0.026	-0.014	-0.032
		C3H	1.105	-0.007	0.006	0.016
		HCC	111.0	-0.3	0.0	-0.5
C3H6	Cyclopropane	CC	1.510	-0.011	0.016	-0.009	f
		CH	1.089	0.006	0.007	0.015
C3H6	Propene	C=C	1.336	-0.008	0.004	-0.005	g
		C-C	1.501	-0.021	-0.005	-0.025
		CCC	124.3	-0.9	2.6	0.0
		C3H	1.085	0.013	0.024	0.033
		HC3C2	111.2	1.7	1.9	0.7
		C2H	1.090	0.006	0.006	0.014
		HC2C1	119.0	1.8	0.3	1.9
		HC1	1.081	0.005	0.008	0.017
		HC1C2	121.5	1.1	0.8	0.8
C3H8	Propane	CC	1.526	-0.014	0.004	-0.019	g
		CCC	112.4	-0.6	3.0	-0.5
		C2H	1.115	-0.007	0.000	0.007
		HC2C1	109.5	0.3	-0.7	-0.1
		C1H	1.096	0.001	0.014	0.021
		HC1C2	111.8	-0.4	-1.5	-1.3
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