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	hartrees
Energy at 0K	-331.209100
Energy at 298.15K	-331.214957
HF Energy	-331.209100
Nuclear repulsion energy	62.536243

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2981	2942	8.00
2	A₁	2157	2129	68.13
3	A₁	1265	1248	9.36
4	A₁	926	913	201.31
5	A₁	674	665	11.68
6	A₂	186	183	0.00
7	E	3059	3019	11.01
7	E	3059	3019	11.01
8	E	2160	2132	140.19
8	E	2160	2132	140.21
9	E	1437	1419	2.23
9	E	1437	1419	2.23
10	E	940	928	36.50
10	E	940	928	36.50
11	E	870	858	55.33
11	E	870	858	55.33
12	E	514	507	8.82
12	E	514	507	8.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.248
Si2	0.000	0.000	0.637
H3	0.000	-1.023	-1.638
H4	-0.886	0.511	-1.638
H5	0.886	0.511	-1.638
H6	0.000	1.396	1.161
H7	-1.209	-0.698	1.161
H8	1.209	-0.698	1.161

	C1	Si2	H3	H4	H5	H6	H7	H8
C1		1.8851	1.0946	1.0946	1.0946	2.7845	2.7845	2.7845
Si2	1.8851		2.4947	2.4947	2.4947	1.4909	1.4909	1.4909
H3	1.0946	2.4947		1.7713	1.7713	3.6996	3.0668	3.0668
H4	1.0946	2.4947	1.7713		1.7713	3.0668	3.0668	3.6996
H5	1.0946	2.4947	1.7713	1.7713		3.0668	3.6996	3.0668
H6	2.7845	1.4909	3.6996	3.0668	3.0668		2.4173	2.4173
H7	2.7845	1.4909	3.0668	3.0668	3.6996	2.4173		2.4173
H8	2.7845	1.4909	3.0668	3.6996	3.0668	2.4173	2.4173

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Si2	H6	110.592	C1	Si2	H7	110.592
C1	Si2	H8	110.592	Si2	C1	H3	110.893
Si2	C1	H4	110.893	Si2	C1	H5	110.893
H3	C1	H4	108.013	H3	C1	H5	108.013
H4	C1	H5	108.013	H6	Si2	H7	108.328
H6	Si2	H8	108.328	H7	Si2	H8	108.328

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	-0.560
2	Si	0.400
3	H	0.131
4	H	0.131
5	H	0.131
6	H	-0.078
7	H	-0.078
8	H	-0.078

<r²>	50.610
(<r²>)^1/2	7.114

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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