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	hartrees
Energy at 0K	-330.974740
Energy at 298.15K	-330.969493
Nuclear repulsion energy	61.925085

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	2982	2964	5.06
2	A	2134	2121	59.31
3	A	1216	1209	6.22
4	A	890	884	171.66
5	A	676	673	10.18
6	A	199	198	0.00
7	E	3077	3059	4.23
7	E	3077	3059	4.23
8	E	2144	2132	120.31
8	E	2144	2132	120.33
9	E	1387	1379	2.55
9	E	1387	1379	2.55
10	E	914	908	23.13
10	E	914	908	23.13
11	E	849	844	62.11
11	E	849	844	62.11
12	E	499	497	5.68
12	E	499	497	5.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.257
Si2	0.000	0.000	0.641
H3	-1.037	-0.000	-1.650
H4	0.518	0.898	-1.650
H5	0.519	-0.898	-1.650
H6	1.414	-0.000	1.174
H7	-0.707	1.225	1.174
H8	-0.707	-1.225	1.174

	C1	Si2	H3	H4	H5	H6	H7	H8
C1		1.8981	1.1086	1.1086	1.1086	2.8129	2.8129	2.8129
Si2	1.8981		2.5141	2.5141	2.5141	1.5114	1.5114	1.5114
H3	1.1086	2.5141		1.7958	1.7958	3.7392	3.0957	3.0955
H4	1.1086	2.5141	1.7958		1.7958	3.0957	3.0955	3.7392
H5	1.1086	2.5141	1.7958	1.7958		3.0955	3.7392	3.0957
H6	2.8129	1.5114	3.7392	3.0957	3.0955		2.4494	2.4494
H7	2.8129	1.5114	3.0957	3.0955	3.7392	2.4494		2.4494
H8	2.8129	1.5114	3.0955	3.7392	3.0957	2.4494	2.4494

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Si2	H6	110.670	C1	Si2	H7	110.670
C1	Si2	H8	110.670	Si2	C1	H3	110.725
Si2	C1	H4	110.725	Si2	C1	H5	110.725
H3	C1	H4	108.189	H3	C1	H5	108.189
H4	C1	H5	108.189	H6	Si2	H7	108.246
H6	Si2	H8	108.246	H7	Si2	H8	108.246

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

using model chemistry: PBEPBE/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	-0.210
2	Si	0.144
3	H	0.060
4	H	0.060
5	H	0.060
6	H	-0.038
7	H	-0.038
8	H	-0.038

<r²>	51.113
(<r²>)^1/2	7.149

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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