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	hartrees
Energy at 0K	-1709.499427
Energy at 298.15K	-1709.502490
HF Energy	-1709.499427
Nuclear repulsion energy	434.612471

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2982	2963	0.06
2	A₁	1237	1228	18.91
3	A₁	734	730	61.71
4	A₁	427	425	17.34
5	A₁	220	219	8.63
6	A₂	156	155	0.00
7	E	3070	3050	0.35
7	E	3070	3050	0.35
8	E	1397	1388	3.27
8	E	1397	1388	3.27
9	E	795	790	67.83
9	E	795	790	67.84
10	E	553	549	131.32
10	E	553	549	131.31
11	E	207	206	1.99
11	E	207	206	1.99
12	E	145	144	0.52
12	E	145	144	0.52

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.264
C2	0.000	0.000	2.124
Cl3	0.000	1.933	-0.469
Cl4	1.674	-0.967	-0.469
Cl5	-1.674	-0.967	-0.469
H6	0.000	-1.033	2.497
H7	0.894	0.516	2.497
H8	-0.894	0.516	2.497

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8599	2.0675	2.0675	2.0675	2.4599	2.4599	2.4599
C2	1.8599		3.2345	3.2345	3.2345	1.0978	1.0978	1.0978
Cl3	2.0675	3.2345		3.3483	3.3483	4.1944	3.4065	3.4065
Cl4	2.0675	3.2345	3.3483		3.3483	3.4065	3.4065	4.1944
Cl5	2.0675	3.2345	3.3483	3.3483		3.4065	4.1944	3.4065
H6	2.4599	1.0978	4.1944	3.4065	3.4065		1.7885	1.7885
H7	2.4599	1.0978	3.4065	3.4065	4.1944	1.7885		1.7885
H8	2.4599	1.0978	3.4065	4.1944	3.4065	1.7885	1.7885

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	109.853	Si1	C2	H7	109.853
Si1	C2	H8	109.853	C2	Si1	Cl3	110.774
C2	Si1	Cl4	110.774	C2	Si1	Cl5	110.774
Cl3	Si1	Cl4	108.138	Cl3	Si1	Cl5	108.138
Cl4	Si1	Cl5	108.138	H6	C2	H7	109.087
H6	C2	H8	109.087	H7	C2	H8	109.087

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: PBEPBE/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	1.134
2	C	-0.622
3	Cl	-0.349
4	Cl	-0.349
5	Cl	-0.349
6	H	0.178
7	H	0.178
8	H	0.178

	x	y	z
x	12.357	0.000	0.000
y	0.000	12.358	-0.000
z	0.000	-0.000	11.734

<r²>	287.633
(<r²>)^1/2	16.960

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: PBEPBE/aug-cc-pVTZ

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)