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	hartrees
Energy at 0K	-13.128687
Energy at 298.15K	-13.123420
Nuclear repulsion energy	22.225082

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3041	2937	12.46
2	A₁	2189	2114	65.06
3	A₁	1307	1262	23.48
4	A₁	937	905	207.01
5	A₁	690	666	9.50
6	A₂	181	175	0.00
7	E	3118	3011	23.44
7	E	3118	3011	23.46
8	E	2197	2122	163.34
8	E	2197	2122	163.33
9	E	1475	1424	6.24
9	E	1475	1424	6.24
10	E	947	914	40.60
10	E	947	914	40.60
11	E	888	858	66.44
11	E	888	858	66.45
12	E	515	497	7.58
12	E	515	497	7.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.979
Si2	0.000	0.000	-0.920
H3	0.000	1.031	1.374
H4	-0.893	-0.516	1.374
H5	0.893	-0.516	1.374
H6	0.000	-1.403	-1.452
H7	-1.215	0.701	-1.452
H8	1.215	0.701	-1.452

	C1	Si2	H3	H4	H5	H6	H7	H8
C1		1.8984	1.1043	1.1043	1.1043	2.8066	2.8066	2.8066
Si2	1.8984		2.5149	2.5149	2.5149	1.5003	1.5003	1.5003
H3	1.1043	2.5149		1.7858	1.7858	3.7298	3.0940	3.0940
H4	1.1043	2.5149	1.7858		1.7858	3.0940	3.0940	3.7298
H5	1.1043	2.5149	1.7858	1.7858		3.0940	3.7298	3.0940
H6	2.8066	1.5003	3.7298	3.0940	3.0940		2.4293	2.4293
H7	2.8066	1.5003	3.0940	3.0940	3.7298	2.4293		2.4293
H8	2.8066	1.5003	3.0940	3.7298	3.0940	2.4293	2.4293

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Si2	H6	110.795	C1	Si2	H7	110.795
C1	Si2	H8	110.795	Si2	C1	H3	110.984
Si2	C1	H4	110.984	Si2	C1	H5	110.984
H3	C1	H4	107.917	H3	C1	H5	107.917
H4	C1	H5	107.917	H6	Si2	H7	108.116
H6	Si2	H8	108.116	H7	Si2	H8	108.116

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

using model chemistry: B3LYP/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	-0.505
2	Si	-0.072
3	H	0.175
4	H	0.175
5	H	0.175
6	H	0.018
7	H	0.018
8	H	0.018

	x	y	z	Total
	0.000	0.000	0.681	0.681
CHELPG
AIM
ESP

	x	y	z
x	4.418	0.000	0.000
y	0.000	4.418	-0.000
z	0.000	-0.000	5.401

<r²>	41.818
(<r²>)^1/2	6.467

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

using model chemistry: B3LYP/CEP-31G*

States and conformations

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