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	hartrees
Energy at 0K	-1710.334022
Energy at 298.15K	-1710.337204
HF Energy	-1710.334022
Nuclear repulsion energy	435.550925

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3041	2942	0.00
2	A₁	1300	1257	18.14
3	A₁	745	721	63.93
4	A₁	433	419	18.87
5	A₁	227	220	9.71
6	A₂	167	161	0.00
7	E	3121	3019	0.87
7	E	3121	3019	0.87
8	E	1454	1406	3.27
8	E	1454	1406	3.27
9	E	830	803	67.33
9	E	830	803	67.33
10	E	558	540	144.57
10	E	558	540	144.55
11	E	216	209	2.58
11	E	216	209	2.58
12	E	151	146	0.53
12	E	151	146	0.53

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.263
C2	0.000	0.000	2.118
Cl3	0.000	1.930	-0.468
Cl4	1.671	-0.965	-0.468
Cl5	-1.671	-0.965	-0.468
H6	0.000	-1.024	2.491
H7	0.887	0.512	2.491
H8	-0.887	0.512	2.491

	Si1	C2	Cl3	Cl4	Cl5	H6	H7	H8
Si1		1.8544	2.0637	2.0637	2.0637	2.4514	2.4514	2.4514
C2	1.8544		3.2263	3.2263	3.2263	1.0897	1.0897	1.0897
Cl3	2.0637	3.2263		3.3425	3.3425	4.1806	3.3984	3.3984
Cl4	2.0637	3.2263	3.3425		3.3425	3.3984	3.3984	4.1806
Cl5	2.0637	3.2263	3.3425	3.3425		3.3984	4.1806	3.3984
H6	2.4514	1.0897	4.1806	3.3984	3.3984		1.7735	1.7735
H7	2.4514	1.0897	3.3984	3.3984	4.1806	1.7735		1.7735
H8	2.4514	1.0897	3.3984	4.1806	3.3984	1.7735	1.7735

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	110.014	Si1	C2	H7	110.014
Si1	C2	H8	110.014	C2	Si1	Cl3	110.749
C2	Si1	Cl4	110.749	C2	Si1	Cl5	110.749
Cl3	Si1	Cl4	108.164	Cl3	Si1	Cl5	108.164
Cl4	Si1	Cl5	108.164	H6	C2	H7	108.923
H6	C2	H8	108.923	H7	C2	H8	108.923

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: B3LYPultrafine/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	1.311
2	C	-0.731
3	Cl	-0.385
4	Cl	-0.385
5	Cl	-0.385
6	H	0.191
7	H	0.191
8	H	0.191

	x	y	z
x	11.932	0.000	0.000
y	0.000	11.933	-0.000
z	0.000	-0.000	11.300

<r²>	286.821
(<r²>)^1/2	16.936

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)