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	hartrees
Energy at 0K	-331.146050
Energy at 298.15K	-331.140802
Nuclear repulsion energy	62.520807

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3064	2931	4.35
2	A₁	2239	2142	77.89
3	A₁	1326	1269	17.82
4	A₁	941	900	217.87
5	A₁	697	667	7.75
6	A₂	195	186	0.00
7	E	3150	3013	7.83
7	E	3150	3013	7.83
8	E	2243	2146	184.12
8	E	2243	2146	184.13
9	E	1491	1427	4.40
9	E	1491	1427	4.40
10	E	955	914	40.79
10	E	955	914	40.79
11	E	901	862	74.14
11	E	901	862	74.14
12	E	519	497	8.26
12	E	519	497	8.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.248
Si2	0.000	0.000	0.636
H3	0.000	-1.023	-1.641
H4	-0.886	0.511	-1.641
H5	0.886	0.511	-1.641
H6	0.000	1.393	1.168
H7	-1.207	-0.697	1.168
H8	1.207	-0.697	1.168

	C1	Si2	H3	H4	H5	H6	H7	H8
C1		1.8846	1.0955	1.0955	1.0955	2.7890	2.7890	2.7890
Si2	1.8846		2.4961	2.4961	2.4961	1.4911	1.4911	1.4911
H3	1.0955	2.4961		1.7718	1.7718	3.7046	3.0739	3.0739
H4	1.0955	2.4961	1.7718		1.7718	3.0739	3.0739	3.7046
H5	1.0955	2.4961	1.7718	1.7718		3.0739	3.7046	3.0739
H6	2.7890	1.4911	3.7046	3.0739	3.0739		2.4130	2.4130
H7	2.7890	1.4911	3.0739	3.0739	3.7046	2.4130		2.4130
H8	2.7890	1.4911	3.0739	3.7046	3.0739	2.4130	2.4130

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Si2	H6	110.883	C1	Si2	H7	110.883
C1	Si2	H8	110.883	Si2	C1	H3	110.977
Si2	C1	H4	110.977	Si2	C1	H5	110.977
H3	C1	H4	107.924	H3	C1	H5	107.924
H4	C1	H5	107.924	H6	Si2	H7	108.023
H6	Si2	H8	108.023	H7	Si2	H8	108.023

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

using model chemistry: B3PW91/6-31G*

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	ESP
1	C	-0.744	-0.496
2	Si	0.379	0.663
3	H	0.196	0.120
4	H	0.196	0.121
5	H	0.196	0.121
6	H	-0.074	-0.177
7	H	-0.074	-0.176
8	H	-0.074	-0.176

	x	y	z	Total
	0.000	0.000	-0.849	0.849
CHELPG
AIM
ESP	-0.002	-0.002	0.815	0.815

<r²>	50.313
(<r²>)^1/2	7.093

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

using model chemistry: B3PW91/6-31G*

States and conformations

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