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	hartrees
Energy at 0K	-56.078133
Energy at 298.15K	-56.081329
HF Energy	-56.078133
Nuclear repulsion energy	85.749254

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2231	2154	41.36
2	A₁	921	889	190.10
3	A₁	866	836	54.44
4	A₁	410	396	10.71
5	A₁	272	263	10.66
6	A₂	187	181	0.00
7	E	2259	2181	92.34
7	E	2259	2181	92.36
8	E	932	900	58.25
8	E	932	900	58.25
9	E	732	707	60.89
9	E	732	707	60.92
10	E	601	581	86.69
10	E	601	581	86.71
11	E	262	253	0.13
11	E	262	253	0.13
12	E	156	151	0.06
12	E	156	151	0.06

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.892
C2	0.000	0.000	-0.046
H3	0.000	-1.424	2.334
H4	1.233	0.712	2.334
H5	-1.233	0.712	2.334
Cl6	0.000	1.717	-0.651
Cl7	1.487	-0.859	-0.651
Cl8	-1.487	-0.859	-0.651

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9380	1.4909	1.4909	1.4909	3.0689	3.0689	3.0689
C2	1.9380		2.7734	2.7734	2.7734	1.8207	1.8207	1.8207
H3	1.4909	2.7734		2.4663	2.4663	4.3335	3.3829	3.3829
H4	1.4909	2.7734	2.4663		2.4663	3.3829	3.3829	4.3335
H5	1.4909	2.7734	2.4663	2.4663		3.3829	4.3335	3.3829
Cl6	3.0689	1.8207	4.3335	3.3829	3.3829		2.9741	2.9741
Cl7	3.0689	1.8207	3.3829	3.3829	4.3335	2.9741		2.9741
Cl8	3.0689	1.8207	3.3829	4.3335	3.3829	2.9741	2.9741

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.426	Si1	C2	Cl7	109.426
Si1	C2	Cl8	109.426	C2	Si1	H3	107.243
C2	Si1	H4	107.243	C2	Si1	H5	107.243
H3	Si1	H4	111.605	H3	Si1	H5	111.605
H4	Si1	H5	111.605	Cl6	C2	Cl7	109.516
Cl6	C2	Cl8	109.516	Cl7	C2	Cl8	109.516

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

using model chemistry: B3LYP/CEP-31G*

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	0.040
2	C	-0.099
3	H	0.053
4	H	0.053
5	H	0.053
6	Cl	-0.034
7	Cl	-0.034
8	Cl	-0.034

<r²>	141.642
(<r²>)^1/2	11.901

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

using model chemistry: B3LYP/CEP-31G*

States and conformations

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