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	hartrees
Energy at 0K	-1690.583541
Energy at 298.15K	-1690.586713
HF Energy	-1690.583541
Nuclear repulsion energy	428.402932

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2692	2374	0.76
2	A₁	1038	915	107.73
3	A₁	977	862	145.07
4	A₁	461	406	5.42
5	A₁	286	253	13.58
6	A₂	151	133	0.00
7	E	2756	2431	2.45
7	E	2756	2431	2.45
8	E	1081	954	62.45
8	E	1081	954	62.45
9	E	903	797	57.87
9	E	903	797	57.87
10	E	690	609	62.39
10	E	690	609	62.39
11	E	268	236	0.94
11	E	268	236	0.94
12	E	165	146	0.16
12	E	165	146	0.16

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.902
C2	0.000	0.000	-0.015
H3	0.000	-1.380	2.320
H4	1.195	0.690	2.320
H5	-1.195	0.690	2.320
Cl6	0.000	1.729	-0.657
Cl7	1.497	-0.864	-0.657
Cl8	-1.497	-0.864	-0.657

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9165	1.4422	1.4422	1.4422	3.0882	3.0882	3.0882
C2	1.9165		2.7118	2.7118	2.7118	1.8444	1.8444	1.8444
H3	1.4422	2.7118		2.3909	2.3909	4.3044	3.3716	3.3716
H4	1.4422	2.7118	2.3909		2.3909	3.3716	3.3716	4.3044
H5	1.4422	2.7118	2.3909	2.3909		3.3716	4.3044	3.3716
Cl6	3.0882	1.8444	4.3044	3.3716	3.3716		2.9947	2.9947
Cl7	3.0882	1.8444	3.3716	3.3716	4.3044	2.9947		2.9947
Cl8	3.0882	1.8444	3.3716	4.3044	3.3716	2.9947	2.9947

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	110.379	Si1	C2	Cl7	110.379
Si1	C2	Cl8	110.379	C2	Si1	H3	106.836
C2	Si1	H4	106.836	C2	Si1	H5	106.836
H3	Si1	H4	111.973	H3	Si1	H5	111.973
H4	Si1	H5	111.973	Cl6	C2	Cl7	108.548
Cl6	C2	Cl8	108.548	Cl7	C2	Cl8	108.548

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

using model chemistry: PBE1PBE/STO-3G

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	0.603
2	C	-0.047
3	H	-0.084
4	H	-0.084
5	H	-0.084
6	Cl	-0.102
7	Cl	-0.102
8	Cl	-0.102

<r²>	280.883
(<r²>)^1/2	16.760

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

using model chemistry: PBE1PBE/STO-3G

States and conformations

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