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	hartrees
Energy at 0K	-331.181766
Energy at 298.15K	-331.187725
HF Energy	-331.181766
Nuclear repulsion energy	62.633645

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3072	2926	7.82
2	A₁	2210	2105	77.80
3	A₁	1319	1256	24.96
4	A₁	952	907	237.65
5	A₁	713	679	9.71
6	A₂	202	192	0.00
7	E	3162	3012	8.78
7	E	3162	3012	8.81
8	E	2206	2101	180.13
8	E	2206	2101	180.18
9	E	1479	1409	6.44
9	E	1479	1409	6.43
10	E	973	927	48.39
10	E	973	927	48.47
11	E	901	858	67.40
11	E	901	858	67.35
12	E	527	502	11.14
12	E	527	502	11.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.246
Si2	0.000	0.000	0.636
H3	0.000	-1.022	-1.636
H4	-0.885	0.511	-1.636
H5	0.885	0.511	-1.636
H6	0.000	1.392	1.159
H7	-1.205	-0.696	1.159
H8	1.205	-0.696	1.159

	C1	Si2	H3	H4	H5	H6	H7	H8
C1		1.8822	1.0944	1.0944	1.0944	2.7788	2.7788	2.7788
Si2	1.8822		2.4920	2.4920	2.4920	1.4869	1.4869	1.4869
H3	1.0944	2.4920		1.7707	1.7707	3.6937	3.0618	3.0618
H4	1.0944	2.4920	1.7707		1.7707	3.0618	3.0618	3.6937
H5	1.0944	2.4920	1.7707	1.7707		3.0618	3.6937	3.0618
H6	2.7788	1.4869	3.6937	3.0618	3.0618		2.4109	2.4109
H7	2.7788	1.4869	3.0618	3.0618	3.6937	2.4109		2.4109
H8	2.7788	1.4869	3.0618	3.6937	3.0618	2.4109	2.4109

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Si2	H6	110.586	C1	Si2	H7	110.586
C1	Si2	H8	110.586	Si2	C1	H3	110.903
Si2	C1	H4	110.903	Si2	C1	H5	110.903
H3	C1	H4	108.002	H3	C1	H5	108.002
H4	C1	H5	108.002	H6	Si2	H7	108.334
H6	Si2	H8	108.334	H7	Si2	H8	108.334

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

using model chemistry: wB97X-D/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	-0.731
2	Si	0.531
3	H	0.179
4	H	0.179
5	H	0.179
6	H	-0.113
7	H	-0.113
8	H	-0.113

	x	y	z
x	5.214	0.000	0.000
y	0.000	5.217	-0.000
z	0.000	-0.000	6.003

<r²>	50.419
(<r²>)^1/2	7.101

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

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

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