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	hartrees
Energy at 0K	-331.193718
Energy at 298.15K	-331.188473
Nuclear repulsion energy	62.691006

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3042	2925	4.03
2	A₁	2208	2123	63.33
3	A₁	1284	1235	12.42
4	A₁	934	898	200.33
5	A₁	699	672	11.19
6	A₂	197	189	0.00
7	E	3124	3004	6.43
7	E	3124	3004	6.43
8	E	2211	2126	133.33
8	E	2211	2126	133.34
9	E	1456	1400	2.64
9	E	1456	1400	2.64
10	E	951	915	35.36
10	E	951	915	35.36
11	E	883	849	62.19
11	E	883	849	62.19
12	E	520	500	8.58
12	E	520	500	8.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.245
Si2	0.000	0.000	0.634
H3	0.000	-1.020	-1.633
H4	-0.883	0.510	-1.633
H5	0.883	0.510	-1.633
H6	0.000	1.393	1.163
H7	-1.206	-0.696	1.163
H8	1.206	-0.696	1.163

	C1	Si2	H3	H4	H5	H6	H7	H8
C1		1.8790	1.0915	1.0915	1.0915	2.7811	2.7811	2.7811
Si2	1.8790		2.4865	2.4865	2.4865	1.4896	1.4896	1.4896
H3	1.0915	2.4865		1.7666	1.7666	3.6929	3.0621	3.0621
H4	1.0915	2.4865	1.7666		1.7666	3.0621	3.0621	3.6929
H5	1.0915	2.4865	1.7666	1.7666		3.0621	3.6929	3.0621
H6	2.7811	1.4896	3.6929	3.0621	3.0621		2.4124	2.4124
H7	2.7811	1.4896	3.0621	3.0621	3.6929	2.4124		2.4124
H8	2.7811	1.4896	3.0621	3.6929	3.0621	2.4124	2.4124

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Si2	H6	110.768	C1	Si2	H7	110.768
C1	Si2	H8	110.768	Si2	C1	H3	110.857
Si2	C1	H4	110.857	Si2	C1	H5	110.857
H3	C1	H4	108.050	H3	C1	H5	108.050
H4	C1	H5	108.050	H6	Si2	H7	108.144
H6	Si2	H8	108.144	H7	Si2	H8	108.144

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

using model chemistry: B3PW91/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	-0.366
2	Si	0.186
3	H	0.100
4	H	0.100
5	H	0.100
6	H	-0.040
7	H	-0.040
8	H	-0.040

<r²>	50.302
(<r²>)^1/2	7.092

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

using model chemistry: B3PW91/cc-pVTZ

States and conformations

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