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	hartrees
Energy at 0K	-1710.088519
Energy at 298.15K	-1710.091634
HF Energy	-1710.088519
Nuclear repulsion energy	435.476986

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3061	3061	0.21
2	A₁	1265	1265	22.28
3	A₁	772	772	79.04
4	A₁	449	449	22.96
5	A₁	225	225	12.92
6	A₂	150	150	0.64
7	E	3167	3167	0.10
7	E	3167	3167	0.09
8	E	1416	1416	4.04
8	E	1415	1415	3.95
9	E	808	808	91.85
9	E	808	808	92.05
10	E	582	582	150.63
10	E	582	582	150.65
11	E	209	209	3.47
11	E	209	209	3.48
12	E	150	150	0.64
12	E	126	126	0.00

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.269
C2	0.000	0.000	2.117
Cl3	0.000	1.929	-0.469
Cl4	1.671	-0.964	-0.469
Cl5	-1.671	-0.964	-0.469
H6	0.000	-1.035	2.486
H7	0.897	0.518	2.486
H8	-0.897	0.518	2.486

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8485	2.0653	2.0653	2.0653	2.4472	2.4472	2.4472
C2	1.8485		3.2266	3.2266	3.2266	1.0992	1.0992	1.0992
Cl3	2.0653	3.2266		3.3410	3.3410	4.1859	3.3955	3.3955
Cl4	2.0653	3.2266	3.3410		3.3410	3.3955	3.3955	4.1859
Cl5	2.0653	3.2266	3.3410	3.3410		3.3955	4.1859	3.3955
H6	2.4472	1.0992	4.1859	3.3955	3.3955		1.7935	1.7935
H7	2.4472	1.0992	3.3955	3.3955	4.1859	1.7935		1.7935
H8	2.4472	1.0992	3.3955	4.1859	3.3955	1.7935	1.7935

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	109.604	Si1	C2	H7	109.604
Si1	C2	H8	109.604	C2	Si1	Cl3	110.935
C2	Si1	Cl4	110.935	C2	Si1	Cl5	110.935
Cl3	Si1	Cl4	107.968	Cl3	Si1	Cl5	107.968
Cl4	Si1	Cl5	107.968	H6	C2	H7	109.339
H6	C2	H8	109.339	H7	C2	H8	109.339

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: M06-2X/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	Si	0.533
2	C	-0.243
3	Cl	-0.189
4	Cl	-0.189
5	Cl	-0.189
6	H	0.092
7	H	0.092
8	H	0.092

	x	y	z
x	9.166	0.000	0.000
y	0.000	9.175	0.008
z	0.000	0.008	8.218

<r²>	286.471
(<r²>)^1/2	16.925

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: M06-2X/cc-pVDZ

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)