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	hartrees
Energy at 0K	-329.419164
Energy at 298.15K	-329.425012
HF Energy	-329.419164
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2998	2947	8.67
2	A₁	2141	2105	68.44
3	A₁	1336	1313	11.18
4	A₁	894	878	200.08
5	A₁	666	654	3.84
6	A₂	171	168	0.00
7	E	3081	3029	11.37
7	E	3081	3029	11.37
8	E	2154	2117	157.28
8	E	2154	2117	157.27
9	E	1509	1483	5.73
9	E	1509	1483	5.73
10	E	932	917	1.45
10	E	932	917	1.45
11	E	910	895	98.98
11	E	910	895	98.97
12	E	518	510	11.34
12	E	518	510	11.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.279
Si2	0.000	0.000	0.651
H3	0.000	-1.031	-1.663
H4	-0.893	0.515	-1.663
H5	0.893	0.515	-1.663
H6	0.000	1.411	1.186
H7	-1.222	-0.705	1.186
H8	1.222	-0.705	1.186

	C1	Si2	H3	H4	H5	H6	H7	H8
C1		1.9299	1.0999	1.0999	1.0999	2.8403	2.8403	2.8403
Si2	1.9299		2.5325	2.5325	2.5325	1.5091	1.5091	1.5091
H3	1.0999	2.5325		1.7857	1.7857	3.7518	3.1164	3.1164
H4	1.0999	2.5325	1.7857		1.7857	3.1164	3.1164	3.7518
H5	1.0999	2.5325	1.7857	1.7857		3.1164	3.7518	3.1164
H6	2.8403	1.5091	3.7518	3.1164	3.1164		2.4439	2.4439
H7	2.8403	1.5091	3.1164	3.1164	3.7518	2.4439		2.4439
H8	2.8403	1.5091	3.1164	3.7518	3.1164	2.4439	2.4439

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Si2	H6	110.770	C1	Si2	H7	110.770
C1	Si2	H8	110.770	Si2	C1	H3	110.393
Si2	C1	H4	110.393	Si2	C1	H5	110.393
H3	C1	H4	108.533	H3	C1	H5	108.533
H4	C1	H5	108.533	H6	Si2	H7	108.142
H6	Si2	H8	108.142	H7	Si2	H8	108.142

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

using model chemistry: B97D3/3-21G

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	-0.928
2	Si	0.604
3	H	0.219
4	H	0.219
5	H	0.219
6	H	-0.111
7	H	-0.111
8	H	-0.111

<r²>	51.993
(<r²>)^1/2	7.211

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

using model chemistry: B97D3/3-21G

States and conformations

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