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	hartrees
Energy at 0K	-330.272414
Energy at 298.15K
HF Energy	-330.272414
Nuclear repulsion energy	62.722182

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3197	2873	9.99
2	A₁	2374	2133	102.23
3	A₁	1455	1307	18.33
4	A₁	1040	935	334.20
5	A₁	725	651	9.35
6	A₂	194	174	0.00
7	E	3269	2937	18.98
7	E	3269	2937	18.98
8	E	2362	2122	256.93
8	E	2362	2122	256.93
9	E	1607	1444	3.01
9	E	1607	1444	3.01
10	E	1045	939	94.95
10	E	1045	939	94.95
11	E	971	873	71.94
11	E	971	873	71.94
12	E	563	506	17.86
12	E	563	506	17.86
1	0			0.00
1	0			0.00
1	-_0.01			0.00
1	0			0.41
1	0	0	0	0.00
1	-_0.14			0.00
1	0			0.00
1	0			0.00
1	0			0.00
1	0			-0.14
1	-_0.06			0.00
1	0	0i	0i	0.00
1	0			0.00
1	0			0.00
1	0			0.00
1	0			-0.05
1	-_0.09			0.00
1	0	0i	0i	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.249
Si2	0.000	0.000	0.639
H3	0.000	-1.013	-1.641
H4	-0.877	0.507	-1.641
H5	0.877	0.507	-1.641
H6	0.000	1.384	1.159
H7	-1.198	-0.692	1.159
H8	1.198	-0.692	1.159

	C1	Si2	H3	H4	H5	H6	H7	H8
C1		1.8881	1.0861	1.0861	1.0861	2.7775	2.7775	2.7775
Si2	1.8881		2.4943	2.4943	2.4943	1.4783	1.4783	1.4783
H3	1.0861	2.4943		1.7549	1.7549	3.6854	3.0621	3.0621
H4	1.0861	2.4943	1.7549		1.7549	3.0621	3.0621	3.6854
H5	1.0861	2.4943	1.7549	1.7549		3.0621	3.6854	3.0621
H6	2.7775	1.4783	3.6854	3.0621	3.0621		2.3968	2.3968
H7	2.7775	1.4783	3.0621	3.0621	3.6854	2.3968		2.3968
H8	2.7775	1.4783	3.0621	3.6854	3.0621	2.3968	2.3968

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Si2	H6	110.602	C1	Si2	H7	110.602
C1	Si2	H8	110.602	Si2	C1	H3	111.111
Si2	C1	H4	111.111	Si2	C1	H5	111.111
H3	C1	H4	107.783	H3	C1	H5	107.783
H4	C1	H5	107.783	H6	Si2	H7	108.317
H6	Si2	H8	108.317	H7	Si2	H8	108.317

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

using model chemistry: HF/6-31G*

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	-0.783
2	Si	0.683
3	H	0.183
4	H	0.183
5	H	0.183
6	H	-0.150
7	H	-0.150
8	H	-0.150

	x	z	Total
	0.000	-0.677	0.677
CHELPG	0.000	-0.656	0.656
AIM	0.000	-0.760	0.760
ESP	-0.004	0.640	0.640

	x	y	z
x	4.453	-0.013	0.015
y	-0.013	4.453	0.000
z	0.015	0.000	4.879

<r²>	50.559
(<r²>)^1/2	7.111

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

using model chemistry: HF/6-31G*

States and conformations

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