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	hartrees
Energy at 0K	-1710.142790
Energy at 298.15K	-1710.145992
HF Energy	-1710.142790
Nuclear repulsion energy	435.979128

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2260	2182	43.91
2	A₁	925	893	199.69
3	A₁	868	838	45.94
4	A₁	418	404	8.13
5	A₁	271	261	9.32
6	A₂	183	177	0.00
7	E	2281	2202	68.81
7	E	2281	2202	68.78
8	E	946	913	50.01
8	E	946	913	50.00
9	E	721	696	41.13
9	E	721	696	41.12
10	E	597	577	78.19
10	E	597	577	78.17
11	E	258	249	0.07
11	E	258	249	0.07
12	E	144	139	0.04
12	E	144	139	0.04

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.875
C2	0.000	0.000	-0.044
H3	0.000	-1.411	2.314
H4	1.222	0.706	2.314
H5	-1.222	0.706	2.314
Cl6	0.000	1.692	-0.646
Cl7	1.465	-0.846	-0.646
Cl8	-1.465	-0.846	-0.646

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9193	1.4781	1.4781	1.4781	3.0356	3.0356	3.0356
C2	1.9193		2.7486	2.7486	2.7486	1.7952	1.7952	1.7952
H3	1.4781	2.7486		2.4444	2.4444	4.2882	3.3507	3.3507
H4	1.4781	2.7486	2.4444		2.4444	3.3507	3.3507	4.2882
H5	1.4781	2.7486	2.4444	2.4444		3.3507	4.2882	3.3507
Cl6	3.0356	1.7952	4.2882	3.3507	3.3507		2.9298	2.9298
Cl7	3.0356	1.7952	3.3507	3.3507	4.2882	2.9298		2.9298
Cl8	3.0356	1.7952	3.3507	4.2882	3.3507	2.9298	2.9298

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.571	Si1	C2	Cl7	109.571
Si1	C2	Cl8	109.571	C2	Si1	H3	107.293
C2	Si1	H4	107.293	C2	Si1	H5	107.293
H3	Si1	H4	111.559	H3	Si1	H5	111.559
H4	Si1	H5	111.559	Cl6	C2	Cl7	109.372
Cl6	C2	Cl8	109.372	Cl7	C2	Cl8	109.372

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

using model chemistry: TPSSh/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	0.678
2	C	0.603
3	H	-0.131
4	H	-0.131
5	H	-0.131
6	Cl	-0.296
7	Cl	-0.296
8	Cl	-0.296

<r²>	274.466
(<r²>)^1/2	16.567

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

using model chemistry: TPSSh/aug-cc-pVTZ

States and conformations

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