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	hartrees
Energy at 0K	-331.221672
Energy at 298.15K	-331.227597
HF Energy	-331.221672
Nuclear repulsion energy	62.928216

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3064	2937	4.07
2	A₁	2228	2136	64.51
3	A₁	1284	1230	13.45
4	A₁	935	896	206.88
5	A₁	709	679	10.19
6	A₂	202	194	0.00
7	E	3147	3016	6.15
7	E	3147	3016	6.15
8	E	2230	2138	137.11
8	E	2230	2138	137.14
9	E	1461	1400	2.68
9	E	1461	1400	2.68
10	E	955	915	35.67
10	E	955	915	35.66
11	E	882	845	61.51
11	E	882	845	61.54
12	E	517	495	9.23
12	E	517	495	9.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.240
Si2	0.000	0.000	0.632
H3	0.000	-1.017	-1.626
H4	-0.881	0.509	-1.626
H5	0.881	0.509	-1.626
H6	0.000	1.389	1.155
H7	-1.203	-0.695	1.155
H8	1.203	-0.695	1.155

	C1	Si2	H3	H4	H5	H6	H7	H8
C1		1.8725	1.0880	1.0880	1.0880	2.7692	2.7692	2.7692
Si2	1.8725		2.4772	2.4772	2.4772	1.4844	1.4844	1.4844
H3	1.0880	2.4772		1.7618	1.7618	3.6781	3.0479	3.0479
H4	1.0880	2.4772	1.7618		1.7618	3.0479	3.0479	3.6781
H5	1.0880	2.4772	1.7618	1.7618		3.0479	3.6781	3.0479
H6	2.7692	1.4844	3.6781	3.0479	3.0479		2.4062	2.4062
H7	2.7692	1.4844	3.0479	3.0479	3.6781	2.4062		2.4062
H8	2.7692	1.4844	3.0479	3.6781	3.0479	2.4062	2.4062

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Si2	H6	110.631	C1	Si2	H7	110.631
C1	Si2	H8	110.631	Si2	C1	H3	110.790
Si2	C1	H4	110.790	Si2	C1	H5	110.790
H3	C1	H4	108.121	H3	C1	H5	108.121
H4	C1	H5	108.121	H6	Si2	H7	108.287
H6	Si2	H8	108.287	H7	Si2	H8	108.287

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

using model chemistry: B1B95/aug-cc-pVTZ

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	-1.022
2	Si	0.767
3	H	0.297
4	H	0.297
5	H	0.297
6	H	-0.212
7	H	-0.212
8	H	-0.212

	x	y	z
x	6.083	0.000	0.000
y	0.000	6.083	0.001
z	0.000	0.001	7.163

<r²>	50.034
(<r²>)^1/2	7.073

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

using model chemistry: B1B95/aug-cc-pVTZ

States and conformations

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