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	hartrees
Energy at 0K	-331.262098
Energy at 298.15K	-331.268019
HF Energy	-331.262098
Nuclear repulsion energy	62.781414

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3035	2921	4.97
2	A₁	2215	2133	65.56
3	A₁	1296	1247	12.30
4	A₁	949	914	216.85
5	A₁	691	665	11.85
6	A₂	198	191	0.00
7	E	3107	2991	8.44
7	E	3107	2991	8.44
8	E	2215	2132	138.25
8	E	2215	2132	138.27
9	E	1465	1410	2.51
9	E	1465	1410	2.51
10	E	963	927	43.45
10	E	963	927	43.45
11	E	888	855	58.86
11	E	888	855	58.85
12	E	523	504	9.56
12	E	523	504	9.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.244
Si2	0.000	0.000	0.635
H3	0.000	-1.019	-1.633
H4	-0.882	0.509	-1.633
H5	0.882	0.509	-1.633
H6	0.000	1.388	1.157
H7	-1.202	-0.694	1.157
H8	1.202	-0.694	1.157

	C1	Si2	H3	H4	H5	H6	H7	H8
C1		1.8787	1.0908	1.0908	1.0908	2.7734	2.7734	2.7734
Si2	1.8787		2.4864	2.4864	2.4864	1.4832	1.4832	1.4832
H3	1.0908	2.4864		1.7649	1.7649	3.6851	3.0556	3.0556
H4	1.0908	2.4864	1.7649		1.7649	3.0556	3.0556	3.6851
H5	1.0908	2.4864	1.7649	1.7649		3.0556	3.6851	3.0556
H6	2.7734	1.4832	3.6851	3.0556	3.0556		2.4044	2.4044
H7	2.7734	1.4832	3.0556	3.0556	3.6851	2.4044		2.4044
H8	2.7734	1.4832	3.0556	3.6851	3.0556	2.4044	2.4044

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Si2	H6	110.618	C1	Si2	H7	110.618
C1	Si2	H8	110.618	Si2	C1	H3	110.913
Si2	C1	H4	110.913	Si2	C1	H5	110.913
H3	C1	H4	107.992	H3	C1	H5	107.992
H4	C1	H5	107.992	H6	Si2	H7	108.300
H6	Si2	H8	108.300	H7	Si2	H8	108.300

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

using model chemistry: B3LYP/Def2TZVPP

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	-0.387
2	Si	0.298
3	H	0.104
4	H	0.104
5	H	0.104
6	H	-0.074
7	H	-0.074
8	H	-0.074

<r²>	50.386
(<r²>)^1/2	7.098

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

using model chemistry: B3LYP/Def2TZVPP

States and conformations

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