Table 9

Table 9.67: Comparison of Calculated and Observed Geometries for MNDO, AM1, and PM3 (contd.)
Empirical	Chemical Name	Geometric	Exp.	Errors
Formula		Variable		PM3	MNDO	AM1	Ref.
HSiF₃	Trifluorosilane	SiH	1.447	0.061	-0.072	-0.007	a
		SiF	1.562	0.028	0.031	0.047
		FSiH	110.6	1.8	3.0	1.2
SiF₄	Tetrafluorosilane	SiF	1.552	0.028	0.032	0.052	a
SiCl	Chlorosilylidyne	SiCl	2.063	-0.117	0.009	-0.077	a
SiCl₂	Dichlorosilylene	ClSiCl	109.7	-7.8	-4.2	-5.3	qqq
CH₃SiCl₃	Trichloromethylsilane	Si-C	1.848	-0.002	-0.053	-0.060	iii
		Si-Cl	2.026	0.038	0.065	0.035
		C-Si-Cl	110.3	1.0	1.5	0.9
SiCl₄	Silicon tetrachloride	SiCl	2.017	0.024	0.063	0.022	a
SiF₃Br	Trifluorobromosilane	Si-Br	2.156	-0.282	0.063	0.139	rrr
		Si-F	1.559	0.013	0.026	0.048
		F-Si-Br	110.4	-2.2	1.8	1.8
SiBr₄	Silicon tetrabromide	SiBr	2.150	-0.354	0.040	0.093	a
H₃SiI	Iodosilane	SiI	2.437	-0.425	-0.051	-0.003	a
		SiH	1.486	0.006	-0.116	-0.020
		HSiI	108.5	-0.5	-0.1	1.3
SiI₄	Silicon tetraiodide	SiI	2.430	0.037	-0.097	-0.005	a
Si₂	Silicon dimer	SiSi	2.246	0.050	-0.260	-0.458	a
H₆Si₂	Disilane	SiSi	2.331	0.063	-0.166	0.081	sss
		SiH	1.492	-0.004	-0.118	-0.026
		HSiSi	110.3	-0.8	2.3	-0.7
H₁₀Si₅	Cyclopentasilane	Si-Si	2.342	0.040	-0.179	0.050	iii
GeH₄	Germane	Ge-H	1.527	-0.022	-0.046	0.019	ttt
CGeH₆	Methylgermane	Ge-C	1.945	0.010	-0.018	0.042	ss
		Ge-H	1.529	-0.024	-0.045	0.016
		C-H	1.083	0.007	0.024	0.022
C₂GeH₈	Ethylgermane	Ge-C	1.949	0.008	-0.008	0.055	xxx
		C-C	1.545	-0.052	-0.025	-0.056
		Ge-C-C	112.2	-7.0	5.0	-1.0
		Ge-H	1.522	-0.016	-0.039	0.023
		H-Ge-C	109.7	-0.1	0.2	-2.2
C₂GeH₈	Dimethylgermane	Ge-H	1.532	-0.027	-0.046	0.012	uuu
		H-Ge-H	108.7	0.0	0.7	5.2
		Ge-C	1.950	0.007	-0.019	0.034
		C-Ge-C	110.0	-0.4	0.8	-3.3
C₃GeH₁₀	Trimethylgermane	Ge-H	1.522	-0.017	-0.034	0.021	xxx
		Ge-C	1.947	0.012	-0.013	0.035
		H-Ge-C	109.3	0.3	-0.5	1.6
C₄GeH₁₂	Tetramethylgermanium	Ge-C	1.945	0.015	-0.006	0.036	vvv
		C-H	1.120	-0.030	-0.013	-0.014
GeO	Germanium oxide	Ge-O	1.625	0.012	-0.055	-0.002	ppp
CGeH₃N	Cyanogermane	Ge-C	1.919	-0.084	-0.060	-0.031	xxx
		C-N	1.155	0.003	0.011	0.008
CGeH₃NO	Germyl isocyanate	Ge-H	1.532	-0.017	-0.048	0.007	www
		Ge-N	1.831	0.010	-0.001	-0.030
GeH₃N₃	Germylazide	Ge-H	1.497	0.019	-0.012	0.057	xxx
		Ge-N	1.866	-0.035	0.010	-0.008
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