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	hartrees
Energy at 0K	-331.201775
Energy at 298.15K	-331.196525
Nuclear repulsion energy	62.386395

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3067	2939	5.12
2	A₁	2208	2116	63.59
3	A₁	1270	1217	9.95
4	A₁	929	890	196.82
5	A₁	699	670	10.90
6	A₂	205	197	0.00
7	E	3166	3034	4.18
7	E	3166	3034	4.18
8	E	2213	2121	133.18
8	E	2213	2121	133.19
9	E	1440	1380	3.06
9	E	1440	1380	3.06
10	E	950	910	32.74
10	E	950	910	32.74
11	E	880	844	67.34
11	E	880	844	67.34
12	E	517	495	7.37
12	E	517	495	7.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.249
Si2	0.000	0.000	0.637
H3	0.000	-1.029	-1.638
H4	-0.891	0.514	-1.638
H5	0.891	0.514	-1.638
H6	0.000	1.402	1.165
H7	-1.214	-0.701	1.165
H8	1.214	-0.701	1.165

	C1	Si2	H3	H4	H5	H6	H7	H8
C1		1.8858	1.0998	1.0998	1.0998	2.7920	2.7920	2.7920
Si2	1.8858		2.4967	2.4967	2.4967	1.4983	1.4983	1.4983
H3	1.0998	2.4967		1.7815	1.7815	3.7106	3.0729	3.0729
H4	1.0998	2.4967	1.7815		1.7815	3.0729	3.0729	3.7106
H5	1.0998	2.4967	1.7815	1.7815		3.0729	3.7106	3.0729
H6	2.7920	1.4983	3.7106	3.0729	3.0729		2.4281	2.4281
H7	2.7920	1.4983	3.0729	3.0729	3.7106	2.4281		2.4281
H8	2.7920	1.4983	3.0729	3.7106	3.0729	2.4281	2.4281

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Si2	H6	110.666	C1	Si2	H7	110.666
C1	Si2	H8	110.666	Si2	C1	H3	110.729
Si2	C1	H4	110.729	Si2	C1	H5	110.729
H3	C1	H4	108.185	H3	C1	H5	108.185
H4	C1	H5	108.185	H6	Si2	H7	108.250
H6	Si2	H8	108.250	H7	Si2	H8	108.250

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

using model chemistry: mPW1PW91/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	-0.267
2	Si	0.226
3	H	0.069
4	H	0.069
5	H	0.069
6	H	-0.055
7	H	-0.055
8	H	-0.055

<r²>	50.530
(<r²>)^1/2	7.108

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

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

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