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	hartrees
Energy at 0K	-1709.532747
Energy at 298.15K	-1709.536091
HF Energy	-1709.239317
Nuclear repulsion energy	436.631991

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2274	2185	45.32
2	A₁	934	898	216.51
3	A₁	877	843	42.11
4	A₁	425	408	7.45
5	A₁	280	269	8.80
6	A₂	187	180	0.00
7	E	2295	2205	73.50
7	E	2295	2205	73.48
8	E	955	918	53.85
8	E	955	918	53.80
9	E	746	717	40.48
9	E	746	717	40.40
10	E	609	586	64.72
10	E	609	586	64.76
11	E	269	258	0.05
11	E	269	258	0.05
12	E	159	153	0.07
12	E	159	153	0.07

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.875
C2	0.000	0.000	-0.045
H3	0.000	-1.409	2.313
H4	1.220	0.704	2.313
H5	-1.220	0.704	2.313
Cl6	0.000	1.688	-0.646
Cl7	1.462	-0.844	-0.646
Cl8	-1.462	-0.844	-0.646

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9205	1.4751	1.4751	1.4751	3.0338	3.0338	3.0338
C2	1.9205		2.7467	2.7467	2.7467	1.7914	1.7914	1.7914
H3	1.4751	2.7467		2.4402	2.4402	4.2826	3.3477	3.3477
H4	1.4751	2.7467	2.4402		2.4402	3.3477	3.3477	4.2826
H5	1.4751	2.7467	2.4402	2.4402		3.3477	4.2826	3.3477
Cl6	3.0338	1.7914	4.2826	3.3477	3.3477		2.9233	2.9233
Cl7	3.0338	1.7914	3.3477	3.3477	4.2826	2.9233		2.9233
Cl8	3.0338	1.7914	3.3477	4.2826	3.3477	2.9233	2.9233

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.583	Si1	C2	Cl7	109.583
Si1	C2	Cl8	109.583	C2	Si1	H3	107.245
C2	Si1	H4	107.245	C2	Si1	H5	107.245
H3	Si1	H4	111.603	H3	Si1	H5	111.603
H4	Si1	H5	111.603	Cl6	C2	Cl7	109.359
Cl6	C2	Cl8	109.359	Cl7	C2	Cl8	109.359

All results from a given calculation for SiH₃CCl₃ ((trichloromethyl)silane)

using model chemistry: B2PLYP/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	1.058
2	C	0.412
3	H	-0.248
4	H	-0.248
5	H	-0.248
6	Cl	-0.241
7	Cl	-0.241
8	Cl	-0.241

	x	y	z
x	12.492	0.000	0.000
y	0.000	12.493	-0.000
z	0.000	-0.000	12.081

<r²>	274.189
(<r²>)^1/2	16.559

All results from a given calculation for SiH3CCl3 ((trichloromethyl)silane)

using model chemistry: B2PLYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for SiH₃CCl₃ ((trichloromethyl)silane)