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	hartrees
Energy at 0K	-329.463726
Energy at 298.15K	-329.458492
Nuclear repulsion energy	61.859520

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3056	2949	6.44
2	A₁	2179	2103	63.73
3	A₁	1370	1322	14.30
4	A₁	916	884	214.37
5	A₁	684	660	4.29
6	A₂	177	171	0.00
7	E	3133	3023	8.24
7	E	3133	3023	8.24
8	E	2186	2109	149.62
8	E	2186	2109	149.63
9	E	1537	1483	6.36
9	E	1537	1483	6.36
10	E	955	922	5.46
10	E	955	922	5.46
11	E	931	899	102.35
11	E	931	899	102.35
12	E	529	511	13.19
12	E	529	511	13.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.272
Si2	0.000	0.000	0.647
H3	0.000	-1.026	-1.656
H4	-0.888	0.513	-1.656
H5	0.888	0.513	-1.656
H6	0.000	1.402	1.180
H7	-1.214	-0.701	1.180
H8	1.214	-0.701	1.180

	C1	Si2	H3	H4	H5	H6	H7	H8
C1		1.9195	1.0949	1.0949	1.0949	2.8251	2.8251	2.8251
Si2	1.9195		2.5208	2.5208	2.5208	1.4999	1.4999	1.4999
H3	1.0949	2.5208		1.7766	1.7766	3.7330	3.1019	3.1019
H4	1.0949	2.5208	1.7766		1.7766	3.1019	3.1019	3.7330
H5	1.0949	2.5208	1.7766	1.7766		3.1019	3.7330	3.1019
H6	2.8251	1.4999	3.7330	3.1019	3.1019		2.4282	2.4282
H7	2.8251	1.4999	3.1019	3.1019	3.7330	2.4282		2.4282
H8	2.8251	1.4999	3.1019	3.7330	3.1019	2.4282	2.4282

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Si2	H6	110.824	C1	Si2	H7	110.824
C1	Si2	H8	110.824	Si2	C1	H3	110.482
Si2	C1	H4	110.482	Si2	C1	H5	110.482
H3	C1	H4	108.442	H3	C1	H5	108.442
H4	C1	H5	108.442	H6	Si2	H7	108.086
H6	Si2	H8	108.086	H7	Si2	H8	108.086

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

using model chemistry: B3LYP/3-21G

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	-0.916	-0.631
2	Si	0.633	0.809
3	H	0.212	0.147
4	H	0.212	0.148
5	H	0.212	0.148
6	H	-0.118	-0.208
7	H	-0.118	-0.207
8	H	-0.118	-0.207

	x	y	z	Total
	0.000	0.000	-0.713	0.713
CHELPG
AIM
ESP	0.002	-0.002	-0.673	0.673

<r²>	51.649
(<r²>)^1/2	7.187

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

using model chemistry: B3LYP/3-21G

States and conformations

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