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	hartrees
Energy at 0K	-331.221039
Energy at 298.15K	-331.226964
Nuclear repulsion energy	62.915060

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3064	2932	3.81
2	A₁	2228	2133	64.70
3	A₁	1286	1231	12.83
4	A₁	936	896	207.38
5	A₁	709	679	10.67
6	A₂	201	192	0.00
7	E	3148	3013	6.40
7	E	3148	3013	6.40
8	E	2230	2135	136.81
8	E	2230	2135	136.83
9	E	1462	1399	2.56
9	E	1462	1399	2.56
10	E	955	914	35.87
10	E	955	914	35.86
11	E	883	845	63.62
11	E	883	845	63.65
12	E	518	495	8.74
12	E	518	495	8.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.240
Si2	0.000	0.000	0.632
H3	0.000	-1.017	-1.626
H4	-0.881	0.509	-1.626
H5	0.881	0.509	-1.626
H6	0.000	1.388	1.158
H7	-1.202	-0.694	1.158
H8	1.202	-0.694	1.158

	C1	Si2	H3	H4	H5	H6	H7	H8
C1		1.8721	1.0880	1.0880	1.0880	2.7707	2.7707	2.7707
Si2	1.8721		2.4768	2.4768	2.4768	1.4845	1.4845	1.4845
H3	1.0880	2.4768		1.7617	1.7617	3.6793	3.0497	3.0497
H4	1.0880	2.4768	1.7617		1.7617	3.0497	3.0497	3.6793
H5	1.0880	2.4768	1.7617	1.7617		3.0497	3.6793	3.0497
H6	2.7707	1.4845	3.6793	3.0497	3.0497		2.4047	2.4047
H7	2.7707	1.4845	3.0497	3.0497	3.6793	2.4047		2.4047
H8	2.7707	1.4845	3.0497	3.6793	3.0497	2.4047	2.4047

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Si2	H6	110.738	C1	Si2	H7	110.738
C1	Si2	H8	110.738	Si2	C1	H3	110.794
Si2	C1	H4	110.794	Si2	C1	H5	110.794
H3	C1	H4	108.117	H3	C1	H5	108.117
H4	C1	H5	108.117	H6	Si2	H7	108.175
H6	Si2	H8	108.175	H7	Si2	H8	108.175

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

using model chemistry: B1B95/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	-0.435
2	Si	0.141
3	H	0.124
4	H	0.124
5	H	0.124
6	H	-0.026
7	H	-0.026
8	H	-0.026

	x	y	z
x	5.761	0.000	0.000
y	0.000	5.761	0.001
z	0.000	0.001	6.649

<r²>	50.044
(<r²>)^1/2	7.074

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

using model chemistry: B1B95/cc-pVTZ

States and conformations

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