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	hartrees
Energy at 0K	-331.210717
Energy at 298.15K	-331.216570
HF Energy	-331.210717
Nuclear repulsion energy	62.416565

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2986	2941	7.84
2	A₁	2161	2128	68.06
3	A₁	1264	1244	8.03
4	A₁	920	906	201.57
5	A₁	671	660	11.49
6	A₂	183	180	0.00
7	E	3063	3016	10.64
7	E	3063	3016	10.64
8	E	2166	2133	142.84
8	E	2166	2133	142.83
9	E	1437	1415	2.07
9	E	1437	1415	2.07
10	E	938	924	36.69
10	E	938	924	36.67
11	E	871	857	54.86
11	E	871	857	54.88
12	E	513	505	9.57
12	E	513	505	9.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.252
Si2	0.000	0.000	0.639
H3	0.000	-1.023	-1.642
H4	-0.886	0.511	-1.642
H5	0.886	0.511	-1.642
H6	0.000	1.398	1.165
H7	-1.211	-0.699	1.165
H8	1.211	-0.699	1.165

	C1	Si2	H3	H4	H5	H6	H7	H8
C1		1.8903	1.0945	1.0945	1.0945	2.7915	2.7915	2.7915
Si2	1.8903		2.4994	2.4994	2.4994	1.4935	1.4935	1.4935
H3	1.0945	2.4994		1.7711	1.7711	3.7062	3.0738	3.0738
H4	1.0945	2.4994	1.7711		1.7711	3.0738	3.0738	3.7062
H5	1.0945	2.4994	1.7711	1.7711		3.0738	3.7062	3.0738
H6	2.7915	1.4935	3.7062	3.0738	3.0738		2.4211	2.4211
H7	2.7915	1.4935	3.0738	3.0738	3.7062	2.4211		2.4211
H8	2.7915	1.4935	3.0738	3.7062	3.0738	2.4211	2.4211

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Si2	H6	110.623	C1	Si2	H7	110.623
C1	Si2	H8	110.623	Si2	C1	H3	110.896
Si2	C1	H4	110.896	Si2	C1	H5	110.896
H3	C1	H4	108.009	H3	C1	H5	108.009
H4	C1	H5	108.009	H6	Si2	H7	108.295
H6	Si2	H8	108.295	H7	Si2	H8	108.295

All results from a given calculation for CH₃SiH₃ (methyl silane)

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.575
2	Si	0.889
3	H	0.150
4	H	0.150
5	H	0.150
6	H	-0.254
7	H	-0.254
8	H	-0.254

	x	y	z
x	6.316	0.000	0.000
y	0.000	6.316	-0.000
z	0.000	-0.000	7.490

<r²>	50.793
(<r²>)^1/2	7.127

All results from a given calculation for CH3SiH3 (methyl silane)

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃SiH₃ (methyl silane)