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	hartrees
Energy at 0K	-1707.921370
Energy at 298.15K	-1707.924612
HF Energy	-1707.233230
Nuclear repulsion energy	434.044366

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3077	2943	0.28
2	A₁	1304	1248	15.45
3	A₁	765	732	81.39
4	A₁	450	430	20.59
5	A₁	231	221	14.18
6	A₂	166	159	0.00
7	E	3181	3043	1.01
7	E	3181	3043	1.01
8	E	1451	1388	2.69
8	E	1451	1388	2.69
9	E	825	790	85.34
9	E	825	790	85.34
10	E	591	565	152.19
10	E	591	565	152.19
11	E	215	206	4.86
11	E	215	206	4.86
12	E	153	147	0.49
12	E	153	147	0.49

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.258
C2	0.000	0.000	2.120
Cl3	0.000	1.938	-0.467
Cl4	1.678	-0.969	-0.467
Cl5	-1.678	-0.969	-0.467
H6	0.000	-1.037	2.497
H7	0.898	0.519	2.497
H8	-0.898	0.519	2.497

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8618	2.0692	2.0692	2.0692	2.4678	2.4678	2.4678
C2	1.8618		3.2324	3.2324	3.2324	1.1039	1.1039	1.1039
Cl3	2.0692	3.2324		3.3565	3.3565	4.2001	3.4073	3.4073
Cl4	2.0692	3.2324	3.3565		3.3565	3.4073	3.4073	4.2001
Cl5	2.0692	3.2324	3.3565	3.3565		3.4073	4.2001	3.4073
H6	2.4678	1.1039	4.2001	3.4073	3.4073		1.7968	1.7968
H7	2.4678	1.1039	3.4073	3.4073	4.2001	1.7968		1.7968
H8	2.4678	1.1039	3.4073	4.2001	3.4073	1.7968	1.7968

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	109.993	Si1	C2	H7	109.993
Si1	C2	H8	109.993	C2	Si1	Cl3	110.521
C2	Si1	Cl4	110.521	C2	Si1	Cl5	110.521
Cl3	Si1	Cl4	108.401	Cl3	Si1	Cl5	108.401
Cl4	Si1	Cl5	108.401	H6	C2	H7	108.945
H6	C2	H8	108.945	H7	C2	H8	108.945

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: CCD/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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All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: CCD/cc-pVDZ

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)