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	hartrees
Energy at 0K	-1690.646601
Energy at 298.15K	-1690.649757
HF Energy	-1690.646601
Nuclear repulsion energy	428.107052

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2689	2375	0.87
2	A₁	1036	915	114.69
3	A₁	975	861	140.44
4	A₁	459	405	5.53
5	A₁	286	252	13.57
6	A₂	146	129	0.00
7	E	2755	2433	2.75
7	E	2755	2433	2.75
8	E	1080	954	62.58
8	E	1080	954	62.58
9	E	898	793	57.79
9	E	898	793	57.79
10	E	689	608	63.78
10	E	689	608	63.78
11	E	267	236	0.92
11	E	267	236	0.92
12	E	165	146	0.15
12	E	165	146	0.15

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.903
C2	0.000	0.000	-0.015
H3	0.000	-1.381	2.321
H4	1.196	0.690	2.321
H5	-1.196	0.690	2.321
Cl6	0.000	1.730	-0.657
Cl7	1.499	-0.865	-0.657
Cl8	-1.499	-0.865	-0.657

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9175	1.4426	1.4426	1.4426	3.0900	3.0900	3.0900
C2	1.9175		2.7129	2.7129	2.7129	1.8459	1.8459	1.8459
H3	1.4426	2.7129		2.3915	2.3915	4.3066	3.3732	3.3732
H4	1.4426	2.7129	2.3915		2.3915	3.3732	3.3732	4.3066
H5	1.4426	2.7129	2.3915	2.3915		3.3732	4.3066	3.3732
Cl6	3.0900	1.8459	4.3066	3.3732	3.3732		2.9972	2.9972
Cl7	3.0900	1.8459	3.3732	3.3732	4.3066	2.9972		2.9972
Cl8	3.0900	1.8459	3.3732	4.3066	3.3732	2.9972	2.9972

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	110.368	Si1	C2	Cl7	110.368
Si1	C2	Cl8	110.368	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	108.560
Cl6	C2	Cl8	108.560	Cl7	C2	Cl8	108.560

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

using model chemistry: HSEh1PBE/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	0.606
2	C	-0.046
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>	281.224
(<r²>)^1/2	16.770

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

using model chemistry: HSEh1PBE/STO-3G

States and conformations

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