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	hartrees
Energy at 0K	-1709.496587
Energy at 298.15K	-1709.499662
HF Energy	-1709.496587
Nuclear repulsion energy	434.689677

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2982	2961	0.09
2	A₁	1238	1230	18.53
3	A₁	734	729	67.78
4	A₁	429	426	18.20
5	A₁	221	220	9.00
6	A₂	157	156	0.00
7	E	3072	3050	0.56
7	E	3072	3050	0.56
8	E	1399	1389	2.96
8	E	1399	1389	2.96
9	E	796	791	71.93
9	E	796	791	71.93
10	E	556	552	132.64
10	E	556	552	132.64
11	E	208	206	2.00
11	E	208	206	2.00
12	E	146	145	0.53
12	E	146	145	0.53

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.262
C2	0.000	0.000	2.123
Cl3	0.000	1.933	-0.469
Cl4	1.674	-0.967	-0.469
Cl5	-1.674	-0.967	-0.469
H6	0.000	-1.032	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		1.8610	2.0666	2.0666	2.0666	2.4615	2.4615	2.4615
C2	1.8610		3.2333	3.2333	3.2333	1.0980	1.0980	1.0980
Cl3	2.0666	3.2333		3.3483	3.3483	4.1937	3.4058	3.4058
Cl4	2.0666	3.2333	3.3483		3.3483	3.4058	3.4058	4.1937
Cl5	2.0666	3.2333	3.3483	3.3483		3.4058	4.1937	3.4058
H6	2.4615	1.0980	4.1937	3.4058	3.4058		1.7883	1.7883
H7	2.4615	1.0980	3.4058	3.4058	4.1937	1.7883		1.7883
H8	2.4615	1.0980	3.4058	4.1937	3.4058	1.7883	1.7883

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	109.886	Si1	C2	H7	109.886
Si1	C2	H8	109.886	C2	Si1	Cl3	110.706
C2	Si1	Cl4	110.706	C2	Si1	Cl5	110.706
Cl3	Si1	Cl4	108.209	Cl3	Si1	Cl5	108.209
Cl4	Si1	Cl5	108.209	H6	C2	H7	109.053
H6	C2	H8	109.053	H7	C2	H8	109.053

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: PBEPBEultrafine/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	0.560
2	C	-0.366
3	Cl	-0.185
4	Cl	-0.185
5	Cl	-0.185
6	H	0.121
7	H	0.121
8	H	0.121

<r²>	287.319
(<r²>)^1/2	16.950

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: PBEPBEultrafine/cc-pVTZ

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)