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	hartrees
Energy at 0K	-1710.334024
Energy at 298.15K	-1710.337205
HF Energy	-1710.334024
Nuclear repulsion energy	435.546089

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3042	2943	0.00
2	A₁	1300	1258	18.18
3	A₁	746	721	63.86
4	A₁	434	420	18.84
5	A₁	228	220	9.72
6	A₂	166	161	0.00
7	E	3122	3020	0.87
7	E	3122	3020	0.87
8	E	1454	1406	3.27
8	E	1454	1406	3.27
9	E	829	802	67.49
9	E	829	802	67.51
10	E	559	540	144.41
10	E	559	540	144.44
11	E	216	209	2.60
11	E	216	209	2.60
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		3.3426	3.3426	4.1806	3.3984	3.3984
Cl4	2.0637	3.2263	3.3426		3.3426	3.3984	3.3984	4.1806
Cl5	2.0637	3.2263	3.3426	3.3426		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	110.013	Si1	C2	H7	110.013
Si1	C2	H8	110.013	C2	Si1	Cl3	110.749
C2	Si1	Cl4	110.749	C2	Si1	Cl5	110.749
Cl3	Si1	Cl4	108.163	Cl3	Si1	Cl5	108.163
Cl4	Si1	Cl5	108.163	H6	C2	H7	108.924
H6	C2	H8	108.924	H7	C2	H8	108.924

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: B3LYP/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	-0.001
z	0.000	-0.001	11.300

<r²>	286.827
(<r²>)^1/2	16.936

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)