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	hartrees
Energy at 0K	-1710.331567
Energy at 298.15K	-1710.334755
HF Energy	-1710.331567
Nuclear repulsion energy	435.602645

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3041	2939	0.00
2	A₁	1302	1258	17.66
3	A₁	746	721	70.08
4	A₁	435	421	19.88
5	A₁	228	221	10.21
6	A₂	164	159	0.00
7	E	3122	3018	1.16
7	E	3122	3018	1.16
8	E	1454	1405	2.99
8	E	1454	1405	2.99
9	E	829	802	71.04
9	E	829	802	71.06
10	E	562	543	146.37
10	E	562	543	146.38
11	E	216	209	2.66
11	E	216	209	2.66
12	E	151	146	0.55
12	E	151	146	0.55

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.262
C2	0.000	0.000	2.117
Cl3	0.000	1.930	-0.467
Cl4	1.671	-0.965	-0.467
Cl5	-1.671	-0.965	-0.467
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		1.8555	2.0629	2.0629	2.0629	2.4530	2.4530	2.4530
C2	1.8555		3.2254	3.2254	3.2254	1.0899	1.0899	1.0899
Cl3	2.0629	3.2254		3.3427	3.3427	4.1802	3.3980	3.3980
Cl4	2.0629	3.2254	3.3427		3.3427	3.3980	3.3980	4.1802
Cl5	2.0629	3.2254	3.3427	3.3427		3.3980	4.1802	3.3980
H6	2.4530	1.0899	4.1802	3.3980	3.3980		1.7734	1.7734
H7	2.4530	1.0899	3.3980	3.3980	4.1802	1.7734		1.7734
H8	2.4530	1.0899	3.3980	4.1802	3.3980	1.7734	1.7734

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	110.048	Si1	C2	H7	110.048
Si1	C2	H8	110.048	C2	Si1	Cl3	110.690
C2	Si1	Cl4	110.690	C2	Si1	Cl5	110.690
Cl3	Si1	Cl4	108.226	Cl3	Si1	Cl5	108.226
Cl4	Si1	Cl5	108.226	H6	C2	H7	108.888
H6	C2	H8	108.888	H7	C2	H8	108.888

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)

using model chemistry: B3LYP/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	0.644
2	C	-0.372
3	Cl	-0.209
4	Cl	-0.209
5	Cl	-0.209
6	H	0.118
7	H	0.118
8	H	0.118

	x	y	z
x	10.603	0.000	0.000
y	0.000	10.601	0.001
z	0.000	0.001	9.781

<r²>	286.588
(<r²>)^1/2	16.929

All results from a given calculation for SiCl3CH3 (methyltrichlorosilane)

using model chemistry: B3LYP/cc-pVTZ

States and conformations

All results from a given calculation for SiCl₃CH₃ (methyltrichlorosilane)