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	hartrees
Energy at 0K	-331.188018
Energy at 298.15K	-331.193919
Nuclear repulsion energy	62.473846

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3061	2943	4.86
2	A₁	2196	2111	63.10
3	A₁	1259	1210	9.09
4	A₁	922	887	197.53
5	A₁	702	675	10.62
6	A₂	207	199	0.00
7	E	3159	3036	4.34
7	E	3159	3036	4.34
8	E	2203	2117	130.79
8	E	2203	2117	130.76
9	E	1430	1375	2.79
9	E	1430	1375	2.78
10	E	945	908	31.06
10	E	945	908	31.06
11	E	873	839	66.95
11	E	873	839	66.95
12	E	513	493	7.22
12	E	513	493	7.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.247
Si2	0.000	0.000	0.636
H3	0.000	-1.028	-1.636
H4	-0.890	0.514	-1.636
H5	0.890	0.514	-1.636
H6	0.000	1.400	1.164
H7	-1.212	-0.700	1.164
H8	1.212	-0.700	1.164

	C1	Si2	H3	H4	H5	H6	H7	H8
C1		1.8825	1.0990	1.0990	1.0990	2.7879	2.7879	2.7879
Si2	1.8825		2.4932	2.4932	2.4932	1.4963	1.4963	1.4963
H3	1.0990	2.4932		1.7803	1.7803	3.7059	3.0687	3.0687
H4	1.0990	2.4932	1.7803		1.7803	3.0687	3.0687	3.7059
H5	1.0990	2.4932	1.7803	1.7803		3.0687	3.7059	3.0687
H6	2.7879	1.4963	3.7059	3.0687	3.0687		2.4246	2.4246
H7	2.7879	1.4963	3.0687	3.0687	3.7059	2.4246		2.4246
H8	2.7879	1.4963	3.0687	3.7059	3.0687	2.4246	2.4246

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Si2	H6	110.683	C1	Si2	H7	110.683
C1	Si2	H8	110.683	Si2	C1	H3	110.727
Si2	C1	H4	110.727	Si2	C1	H5	110.727
H3	C1	H4	108.187	H3	C1	H5	108.187
H4	C1	H5	108.187	H6	Si2	H7	108.233
H6	Si2	H8	108.233	H7	Si2	H8	108.233

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

using model chemistry: B1B95/cc-pVDZ

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	-0.226
2	Si	0.234
3	H	0.058
4	H	0.058
5	H	0.058
6	H	-0.060
7	H	-0.060
8	H	-0.060

<r²>	50.422
(<r²>)^1/2	7.101

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

using model chemistry: B1B95/cc-pVDZ

States and conformations

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