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	hartrees
Energy at 0K	-331.164230
Energy at 298.15K	-331.158948
Nuclear repulsion energy	62.320135

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3046	2938	5.79
2	A₁	2194	2116	61.59
3	A₁	1261	1216	11.07
4	A₁	918	886	192.64
5	A₁	690	665	9.91
6	A₂	191	184	0.00
7	E	3139	3028	7.53
7	E	3139	3028	7.53
8	E	2199	2121	131.61
8	E	2199	2121	131.62
9	E	1428	1377	2.59
9	E	1428	1377	2.59
10	E	943	909	32.68
10	E	943	909	32.68
11	E	872	841	58.48
11	E	872	841	58.48
12	E	508	490	8.41
12	E	508	490	8.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.251
Si2	0.000	0.000	0.638
H3	0.000	-1.027	-1.643
H4	-0.889	0.513	-1.643
H5	0.889	0.513	-1.643
H6	0.000	1.403	1.167
H7	-1.215	-0.701	1.167
H8	1.215	-0.701	1.167

	C1	Si2	H3	H4	H5	H6	H7	H8
C1		1.8893	1.0990	1.0990	1.0990	2.7953	2.7953	2.7953
Si2	1.8893		2.5013	2.5013	2.5013	1.4989	1.4989	1.4989
H3	1.0990	2.5013		1.7787	1.7787	3.7142	3.0780	3.0780
H4	1.0990	2.5013	1.7787		1.7787	3.0780	3.0780	3.7142
H5	1.0990	2.5013	1.7787	1.7787		3.0780	3.7142	3.0780
H6	2.7953	1.4989	3.7142	3.0780	3.0780		2.4294	2.4294
H7	2.7953	1.4989	3.0780	3.0780	3.7142	2.4294		2.4294
H8	2.7953	1.4989	3.0780	3.7142	3.0780	2.4294	2.4294

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Si2	H6	110.650	C1	Si2	H7	110.650
C1	Si2	H8	110.650	Si2	C1	H3	110.866
Si2	C1	H4	110.866	Si2	C1	H5	110.866
H3	C1	H4	108.042	H3	C1	H5	108.042
H4	C1	H5	108.042	H6	Si2	H7	108.268
H6	Si2	H8	108.268	H7	Si2	H8	108.268

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

using model chemistry: B3PW91/aug-cc-pVDZ

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	0.427
2	Si	-0.165
3	H	-0.239
4	H	-0.239
5	H	-0.239
6	H	0.151
7	H	0.151
8	H	0.151

<r²>	50.788
(<r²>)^1/2	7.127

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

using model chemistry: B3PW91/aug-cc-pVDZ

States and conformations

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