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	hartrees
Energy at 0K	-331.220653
Energy at 298.15K	-331.226610
HF Energy	-331.220653
Nuclear repulsion energy	62.813863

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3064	2931	4.54
2	A₁	2197	2102	64.02
3	A₁	1301	1244	16.37
4	A₁	945	904	209.48
5	A₁	716	685	10.29
6	A₂	205	196	0.00
7	E	3145	3009	7.49
7	E	3145	3009	7.46
8	E	2194	2099	141.24
8	E	2194	2099	141.19
9	E	1472	1408	3.04
9	E	1472	1408	3.03
10	E	965	923	41.04
10	E	965	923	41.20
11	E	890	852	59.63
11	E	890	852	59.55
12	E	525	502	10.01
12	E	525	502	10.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.242
Si2	0.000	0.000	0.634
H3	0.000	-1.019	-1.630
H4	-0.882	0.509	-1.630
H5	0.882	0.509	-1.630
H6	0.000	1.391	1.157
H7	-1.204	-0.695	1.157
H8	1.204	-0.695	1.157

	C1	Si2	H3	H4	H5	H6	H7	H8
C1		1.8760	1.0901	1.0901	1.0901	2.7730	2.7730	2.7730
Si2	1.8760		2.4824	2.4824	2.4824	1.4859	1.4859	1.4859
H3	1.0901	2.4824		1.7646	1.7646	3.6840	3.0531	3.0531
H4	1.0901	2.4824	1.7646		1.7646	3.0531	3.0531	3.6840
H5	1.0901	2.4824	1.7646	1.7646		3.0531	3.6840	3.0531
H6	2.7730	1.4859	3.6840	3.0531	3.0531		2.4089	2.4089
H7	2.7730	1.4859	3.0531	3.0531	3.6840	2.4089		2.4089
H8	2.7730	1.4859	3.0531	3.6840	3.0531	2.4089	2.4089

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Si2	H6	110.611	C1	Si2	H7	110.611
C1	Si2	H8	110.611	Si2	C1	H3	110.833
Si2	C1	H4	110.833	Si2	C1	H5	110.833
H3	C1	H4	108.076	H3	C1	H5	108.076
H4	C1	H5	108.076	H6	Si2	H7	108.308
H6	Si2	H8	108.308	H7	Si2	H8	108.308

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

using model chemistry: wB97X-D/aug-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
1	C	-0.935
2	Si	0.744
3	H	0.263
4	H	0.263
5	H	0.263
6	H	-0.200
7	H	-0.200
8	H	-0.200

	x	y	z
x	6.071	0.000	0.000
y	0.000	6.074	-0.000
z	0.000	-0.000	7.068

<r²>	50.164
(<r²>)^1/2	7.083

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

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

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