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	hartrees
Energy at 0K	-331.209474
Energy at 298.15K	-331.215431
HF Energy	-331.209474
Nuclear repulsion energy	62.618597

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3068	2930	5.69
2	A₁	2189	2091	66.80
3	A₁	1312	1253	20.60
4	A₁	944	902	226.89
5	A₁	714	682	10.20
6	A₂	204	195	0.00
7	E	3153	3011	7.97
7	E	3153	3011	7.94
8	E	2186	2088	147.81
8	E	2186	2088	147.80
9	E	1477	1410	5.61
9	E	1477	1410	5.59
10	E	966	923	43.84
10	E	966	923	43.88
11	E	897	856	65.72
11	E	897	856	65.70
12	E	527	503	11.50
12	E	527	503	11.45

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.247
Si2	0.000	0.000	0.636
H3	0.000	-1.020	-1.635
H4	-0.883	0.510	-1.635
H5	0.883	0.510	-1.635
H6	0.000	1.395	1.159
H7	-1.208	-0.698	1.159
H8	1.208	-0.698	1.159

	C1	Si2	H3	H4	H5	H6	H7	H8
C1		1.8832	1.0914	1.0914	1.0914	2.7814	2.7814	2.7814
Si2	1.8832		2.4903	2.4903	2.4903	1.4899	1.4899	1.4899
H3	1.0914	2.4903		1.7665	1.7665	3.6937	3.0619	3.0619
H4	1.0914	2.4903	1.7665		1.7665	3.0619	3.0619	3.6937
H5	1.0914	2.4903	1.7665	1.7665		3.0619	3.6937	3.0619
H6	2.7814	1.4899	3.6937	3.0619	3.0619		2.4163	2.4163
H7	2.7814	1.4899	3.0619	3.0619	3.6937	2.4163		2.4163
H8	2.7814	1.4899	3.0619	3.6937	3.0619	2.4163	2.4163

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Si2	H6	110.554	C1	Si2	H7	110.554
C1	Si2	H8	110.554	Si2	C1	H3	110.859
Si2	C1	H4	110.859	Si2	C1	H5	110.859
H3	C1	H4	108.049	H3	C1	H5	108.049
H4	C1	H5	108.049	H6	Si2	H7	108.367
H6	Si2	H8	108.367	H7	Si2	H8	108.367

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

using model chemistry: wB97X-D/TZVP

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	-0.527
2	Si	0.434
3	H	0.136
4	H	0.136
5	H	0.136
6	H	-0.105
7	H	-0.105
8	H	-0.105

	x	y	z
x	5.533	0.000	0.000
y	0.000	5.536	-0.001
z	0.000	-0.001	6.173

<r²>	50.435
(<r²>)^1/2	7.102

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

using model chemistry: wB97X-D/TZVP

States and conformations

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