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	hartrees
Energy at 0K	-1710.444936
Energy at 298.15K	-1710.448150
HF Energy	-1710.444936
Nuclear repulsion energy	439.470295

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3069	2942	0.10
2	A₁	1286	1233	23.08
3	A₁	765	733	65.89
4	A₁	450	431	18.33
5	A₁	228	219	9.95
6	A₂	167	160	0.00
7	E	3161	3030	0.42
7	E	3161	3030	0.42
8	E	1447	1387	3.35
8	E	1447	1387	3.36
9	E	816	782	75.10
9	E	816	782	75.08
10	E	581	557	138.38
10	E	581	557	138.41
11	E	213	204	2.63
11	E	213	204	2.62
12	E	150	144	0.51
12	E	150	144	0.50

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.262
C2	0.000	0.000	2.104
Cl3	0.000	1.911	-0.465
Cl4	1.655	-0.955	-0.465
Cl5	-1.655	-0.955	-0.465
H6	0.000	-1.022	2.474
H7	0.885	0.511	2.474
H8	-0.885	0.511	2.474

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8421	2.0441	2.0441	2.0441	2.4372	2.4372	2.4372
C2	1.8421		3.2013	3.2013	3.2013	1.0874	1.0874	1.0874
Cl3	2.0441	3.2013		3.3093	3.3093	4.1521	3.3734	3.3734
Cl4	2.0441	3.2013	3.3093		3.3093	3.3734	3.3734	4.1521
Cl5	2.0441	3.2013	3.3093	3.3093		3.3734	4.1521	3.3734
H6	2.4372	1.0874	4.1521	3.3734	3.3734		1.7709	1.7709
H7	2.4372	1.0874	3.3734	3.3734	4.1521	1.7709		1.7709
H8	2.4372	1.0874	3.3734	4.1521	3.3734	1.7709	1.7709

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	109.905	Si1	C2	H7	109.905
Si1	C2	H8	109.905	C2	Si1	Cl3	110.820
C2	Si1	Cl4	110.820	C2	Si1	Cl5	110.820
Cl3	Si1	Cl4	108.089	Cl3	Si1	Cl5	108.089
Cl4	Si1	Cl5	108.089	H6	C2	H7	109.034
H6	C2	H8	109.034	H7	C2	H8	109.034

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: B1B95/aug-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	Si	0.913
2	C	-0.965
3	Cl	-0.282
4	Cl	-0.282
5	Cl	-0.282
6	H	0.299
7	H	0.299
8	H	0.299

	x	y	z
x	11.634	0.000	0.000
y	0.000	11.641	-0.000
z	0.000	-0.000	11.047

<r²>	281.779
(<r²>)^1/2	16.786

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: B1B95/aug-cc-pVTZ

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)