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	hartrees
Energy at 0K	-331.261990
Energy at 298.15K	-331.267921
Nuclear repulsion energy	62.661474

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3032	2930	5.30
2	A₁	2213	2139	65.40
3	A₁	1299	1255	10.65
4	A₁	945	913	212.92
5	A₁	691	667	11.62
6	A₂	197	191	0.00
7	E	3103	2999	8.92
7	E	3103	2999	8.92
8	E	2214	2140	139.57
8	E	2214	2140	139.58
9	E	1467	1418	2.37
9	E	1467	1418	2.37
10	E	961	929	41.35
10	E	961	929	41.36
11	E	891	861	59.50
11	E	891	861	59.50
12	E	524	507	9.95
12	E	524	507	9.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.247
Si2	0.000	0.000	0.636
H3	0.000	-1.019	-1.637
H4	-0.882	0.509	-1.637
H5	0.882	0.509	-1.637
H6	0.000	1.390	1.162
H7	-1.204	-0.695	1.162
H8	1.204	-0.695	1.162

	C1	Si2	H3	H4	H5	H6	H7	H8
C1		1.8835	1.0908	1.0908	1.0908	2.7812	2.7812	2.7812
Si2	1.8835		2.4909	2.4909	2.4909	1.4861	1.4861	1.4861
H3	1.0908	2.4909		1.7648	1.7648	3.6925	3.0636	3.0636
H4	1.0908	2.4909	1.7648		1.7648	3.0636	3.0636	3.6925
H5	1.0908	2.4909	1.7648	1.7648		3.0636	3.6925	3.0636
H6	2.7812	1.4861	3.6925	3.0636	3.0636		2.4076	2.4076
H7	2.7812	1.4861	3.0636	3.0636	3.6925	2.4076		2.4076
H8	2.7812	1.4861	3.0636	3.6925	3.0636	2.4076	2.4076

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Si2	H6	110.708	C1	Si2	H7	110.708
C1	Si2	H8	110.708	Si2	C1	H3	110.923
Si2	C1	H4	110.923	Si2	C1	H5	110.923
H3	C1	H4	107.981	H3	C1	H5	107.981
H4	C1	H5	107.981	H6	Si2	H7	108.206
H6	Si2	H8	108.206	H7	Si2	H8	108.206

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

using model chemistry: B3LYP/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	ESP
1	C	-0.385	-0.490
2	Si	0.214	0.800
3	H	0.104	0.110
4	H	0.104	0.108
5	H	0.104	0.108
6	H	-0.047	-0.212
7	H	-0.047	-0.212
8	H	-0.047	-0.212

	x	y	z	Total
	0.000	0.000	-0.785	0.785
CHELPG
AIM
ESP	-0.006	0.000	-0.735	0.735

<r²>	50.553
(<r²>)^1/2	7.110

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

using model chemistry: B3LYP/cc-pVTZ

States and conformations

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