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	hartrees
Energy at 0K	-13.071836
Energy at 298.15K	-13.077677
Nuclear repulsion energy	22.248768

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3074	2942	8.10
2	A	2180	2087	67.08
3	A	1294	1239	29.20
4	A	928	888	202.07
5	A	700	670	10.81
6	A	185	177	0.00
7	E	3167	3032	15.30
7	E	3167	3032	15.32
8	E	2186	2093	166.42
8	E	2186	2093	166.57
9	E	1465	1402	7.23
9	E	1465	1402	7.23
10	E	940	900	38.14
10	E	940	900	38.17
11	E	878	841	70.04
11	E	878	841	70.08
12	E	510	488	6.56
12	E	510	488	6.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.254
Si2	0.000	0.000	0.639
H3	-1.030	-0.000	-1.647
H4	0.515	0.892	-1.647
H5	0.515	-0.892	-1.647
H6	1.405	-0.000	1.174
H7	-0.703	1.217	1.174
H8	-0.703	-1.217	1.174

	C1	Si2	H3	H4	H5	H6	H7	H8
C1		1.8937	1.1021	1.1021	1.1021	2.8054	2.8054	2.8054
Si2	1.8937		2.5077	2.5077	2.5077	1.5035	1.5035	1.5035
H3	1.1021	2.5077		1.7834	1.7834	3.7264	3.0896	3.0895
H4	1.1021	2.5077	1.7834		1.7834	3.0896	3.0895	3.7264
H5	1.1021	2.5077	1.7834	1.7834		3.0895	3.7264	3.0896
H6	2.8054	1.5035	3.7264	3.0896	3.0895		2.4341	2.4341
H7	2.8054	1.5035	3.0896	3.0895	3.7264	2.4341		2.4341
H8	2.8054	1.5035	3.0895	3.7264	3.0896	2.4341	2.4341

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Si2	H6	110.818	C1	Si2	H7	110.818
C1	Si2	H8	110.818	Si2	C1	H3	110.884
Si2	C1	H4	110.884	Si2	C1	H5	110.884
H3	C1	H4	108.022	H3	C1	H5	108.022
H4	C1	H5	108.022	H6	Si2	H7	108.091
H6	Si2	H8	108.091	H7	Si2	H8	108.091

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

using model chemistry: B1B95/CEP-31G*

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	-0.490
2	Si	-0.083
3	H	0.175
4	H	0.175
5	H	0.175
6	H	0.016
7	H	0.016
8	H	0.016

	x	y	z	Total
	0.000	0.000	-0.735	0.735
CHELPG
AIM
ESP

	x	y	z
x	4.424	0.000	0.002
y	0.000	4.417	0.000
z	0.002	0.000	5.377

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/CEP-31G*

States and conformations

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