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	hartrees
Energy at 0K	-329.214857
Energy at 298.15K	-329.209622
Nuclear repulsion energy	61.542032

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2992	2965	4.74
2	A₁	2118	2099	58.01
3	A₁	1319	1307	15.23
4	A₁	876	868	172.53
5	A₁	679	672	3.52
6	A₂	179	178	0.00
7	E	3078	3050	6.26
7	E	3078	3050	6.26
8	E	2133	2113	130.95
8	E	2133	2113	130.97
9	E	1490	1477	7.06
9	E	1490	1477	7.07
10	E	923	915	0.21
10	E	923	915	0.21
11	E	898	889	91.59
11	E	898	889	91.59
12	E	511	507	8.97
12	E	511	507	8.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.276
Si2	0.000	0.000	0.648
H3	0.000	-1.035	-1.660
H4	-0.896	0.517	-1.660
H5	0.896	0.517	-1.660
H6	0.000	1.414	1.187
H7	-1.225	-0.707	1.187
H8	1.225	-0.707	1.187

	C1	Si2	H3	H4	H5	H6	H7	H8
C1		1.9239	1.1034	1.1034	1.1034	2.8398	2.8398	2.8398
Si2	1.9239		2.5291	2.5291	2.5291	1.5132	1.5132	1.5132
H3	1.1034	2.5291		1.7918	1.7918	3.7548	3.1161	3.1161
H4	1.1034	2.5291	1.7918		1.7918	3.1161	3.1161	3.7548
H5	1.1034	2.5291	1.7918	1.7918		3.1161	3.7548	3.1161
H6	2.8398	1.5132	3.7548	3.1161	3.1161		2.4492	2.4492
H7	2.8398	1.5132	3.1161	3.1161	3.7548	2.4492		2.4492
H8	2.8398	1.5132	3.1161	3.7548	3.1161	2.4492	2.4492

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Si2	H6	110.859	C1	Si2	H7	110.859
C1	Si2	H8	110.859	Si2	C1	H3	110.360
Si2	C1	H4	110.360	Si2	C1	H5	110.360
H3	C1	H4	108.568	H3	C1	H5	108.568
H4	C1	H5	108.568	H6	Si2	H7	108.048
H6	Si2	H8	108.048	H7	Si2	H8	108.048

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

using model chemistry: PBEPBE/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	-0.939
2	Si	0.506
3	H	0.228
4	H	0.228
5	H	0.228
6	H	-0.083
7	H	-0.083
8	H	-0.083

	x	y	z
x	4.677	0.000	0.000
y	0.000	4.677	-0.000
z	0.000	-0.000	5.408

<r²>	51.892
(<r²>)^1/2	7.204

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

using model chemistry: PBEPBE/3-21G

States and conformations

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