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	hartrees
Energy at 0K	-1709.491817
Energy at 298.15K	-1709.495063
HF Energy	-1709.491817
Nuclear repulsion energy	437.877739

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3075	2937	0.05
2	A₁	1307	1248	31.33
3	A₁	763	729	74.31
4	A₁	450	430	21.98
5	A₁	232	222	13.99
6	A₂	172	165	0.00
7	E	3177	3035	0.12
7	E	3177	3035	0.12
8	E	1450	1385	5.65
8	E	1450	1385	5.65
9	E	831	793	91.85
9	E	830	793	91.83
10	E	586	559	155.95
10	E	586	559	155.93
11	E	217	208	3.78
11	E	217	208	3.78
12	E	155	148	0.71
12	E	155	148	0.71

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.255
C2	0.000	0.000	2.105
Cl3	0.000	1.920	-0.464
Cl4	1.663	-0.960	-0.464
Cl5	-1.663	-0.960	-0.464
H6	0.000	-1.027	2.482
H7	0.890	0.514	2.482
H8	-0.890	0.514	2.482

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8501	2.0501	2.0501	2.0501	2.4522	2.4522	2.4522
C2	1.8501		3.2070	3.2070	3.2070	1.0941	1.0941	1.0941
Cl3	2.0501	3.2070		3.3255	3.3255	4.1666	3.3829	3.3829
Cl4	2.0501	3.2070	3.3255		3.3255	3.3829	3.3829	4.1666
Cl5	2.0501	3.2070	3.3255	3.3255		3.3829	4.1666	3.3829
H6	2.4522	1.0941	4.1666	3.3829	3.3829		1.7792	1.7792
H7	2.4522	1.0941	3.3829	3.3829	4.1666	1.7792		1.7792
H8	2.4522	1.0941	3.3829	4.1666	3.3829	1.7792	1.7792

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	110.132	Si1	C2	H7	110.132
Si1	C2	H8	110.132	C2	Si1	Cl3	110.520
C2	Si1	Cl4	110.520	C2	Si1	Cl5	110.520
Cl3	Si1	Cl4	108.402	Cl3	Si1	Cl5	108.402
Cl4	Si1	Cl5	108.403	H6	C2	H7	108.802
H6	C2	H8	108.802	H7	C2	H8	108.802

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: PBE1PBE/6-31+G**

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	0.282
2	C	-0.660
3	Cl	-0.088
4	Cl	-0.088
5	Cl	-0.088
6	H	0.214
7	H	0.214
8	H	0.214

<r²>	284.341
(<r²>)^1/2	16.862

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: PBE1PBE/6-31+G**

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)