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	hartrees
Energy at 0K	-1710.174958
Energy at 298.15K	-1710.178219
HF Energy	-1710.174958
Nuclear repulsion energy	437.713307

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3084	2934	0.46
2	A₁	1321	1257	29.02
3	A₁	764	727	78.13
4	A₁	451	429	22.11
5	A₁	235	223	14.30
6	A₂	170	162	0.00
7	E	3185	3031	0.18
7	E	3185	3031	0.18
8	E	1462	1392	4.30
8	E	1462	1392	4.30
9	E	840	799	99.61
9	E	840	799	99.60
10	E	589	561	155.39
10	E	589	561	155.39
11	E	220	209	3.51
11	E	220	209	3.51
12	E	156	148	0.77
12	E	156	148	0.77

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.255
C2	0.000	0.000	2.106
Cl3	0.000	1.921	-0.464
Cl4	1.663	-0.960	-0.464
Cl5	-1.663	-0.960	-0.464
H6	0.000	-1.026	2.482
H7	0.888	0.513	2.482
H8	-0.888	0.513	2.482

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8509	2.0510	2.0510	2.0510	2.4516	2.4516	2.4516
C2	1.8509		3.2086	3.2086	3.2086	1.0923	1.0923	1.0923
Cl3	2.0510	3.2086		3.3268	3.3268	4.1666	3.3839	3.3839
Cl4	2.0510	3.2086	3.3268		3.3268	3.3839	3.3839	4.1666
Cl5	2.0510	3.2086	3.3268	3.3268		3.3839	4.1666	3.3839
H6	2.4516	1.0923	4.1666	3.3839	3.3839		1.7763	1.7763
H7	2.4516	1.0923	3.3839	3.3839	4.1666	1.7763		1.7763
H8	2.4516	1.0923	3.3839	4.1666	3.3839	1.7763	1.7763

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	110.130	Si1	C2	H7	110.130
Si1	C2	H8	110.130	C2	Si1	Cl3	110.532
C2	Si1	Cl4	110.532	C2	Si1	Cl5	110.532
Cl3	Si1	Cl4	108.390	Cl3	Si1	Cl5	108.390
Cl4	Si1	Cl5	108.390	H6	C2	H7	108.804
H6	C2	H8	108.804	H7	C2	H8	108.804

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: mPW1PW91/6-31G**

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	Si	0.654
2	C	-0.614
3	Cl	-0.200
4	Cl	-0.200
5	Cl	-0.200
6	H	0.186
7	H	0.186
8	H	0.186

<r²>	284.243
(<r²>)^1/2	16.860

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: mPW1PW91/6-31G**

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)