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	hartrees
Energy at 0K	-1709.279872
Energy at 298.15K	-1709.283259
HF Energy	-1709.077164
Nuclear repulsion energy	435.494856

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2314	2196	54.19
2	A₁	949	900	241.34
3	A₁	888	843	48.38
4	A₁	430	408	7.96
5	A₁	287	273	10.07
6	A₂	190	180	0.00
7	E	2337	2219	109.82
7	E	2337	2219	109.83
8	E	963	914	65.21
8	E	963	914	65.21
9	E	763	725	51.11
9	E	763	725	51.11
10	E	619	587	75.53
10	E	619	587	75.52
11	E	278	263	0.00
11	E	278	263	0.00
12	E	167	158	0.01
12	E	167	158	0.01

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.879
C2	0.000	0.000	-0.047
H3	0.000	-1.410	2.319
H4	1.221	0.705	2.319
H5	-1.221	0.705	2.319
Cl6	0.000	1.693	-0.647
Cl7	1.466	-0.846	-0.647
Cl8	-1.466	-0.846	-0.647

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9256	1.4775	1.4775	1.4775	3.0405	3.0405	3.0405
C2	1.9256		2.7543	2.7543	2.7543	1.7961	1.7961	1.7961
H3	1.4775	2.7543		2.4428	2.4428	4.2926	3.3561	3.3561
H4	1.4775	2.7543	2.4428		2.4428	3.3561	3.3561	4.2926
H5	1.4775	2.7543	2.4428	2.4428		3.3561	4.2926	3.3561
Cl6	3.0405	1.7961	4.2926	3.3561	3.3561		2.9322	2.9322
Cl7	3.0405	1.7961	3.3561	3.3561	4.2926	2.9322		2.9322
Cl8	3.0405	1.7961	3.3561	4.2926	3.3561	2.9322	2.9322

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.516	Si1	C2	Cl7	109.516
Si1	C2	Cl8	109.516	C2	Si1	H3	107.335
C2	Si1	H4	107.335	C2	Si1	H5	107.335
H3	Si1	H4	111.520	H3	Si1	H5	111.520
H4	Si1	H5	111.520	Cl6	C2	Cl7	109.426
Cl6	C2	Cl8	109.426	Cl7	C2	Cl8	109.426

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

using model chemistry: B2PLYP/6-31G*

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	0.498
2	C	-0.440
3	H	-0.054
4	H	-0.054
5	H	-0.054
6	Cl	0.035
7	Cl	0.035
8	Cl	0.035

<r²>	275.277
(<r²>)^1/2	16.591

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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