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	hartrees
Energy at 0K	-1709.312018
Energy at 298.15K
HF Energy	-1709.312018
Nuclear repulsion energy	435.626143

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.873
C2	0.000	0.000	-0.050
H3	0.000	-1.421	2.319
H4	1.231	0.710	2.319
H5	-1.231	0.710	2.319
Cl6	0.000	1.694	-0.645
Cl7	1.467	-0.847	-0.645
Cl8	-1.467	-0.847	-0.645

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9230	1.4895	1.4895	1.4895	3.0339	3.0339	3.0339
C2	1.9230		2.7629	2.7629	2.7629	1.7949	1.7949	1.7949
H3	1.4895	2.7629		2.4612	2.4612	4.2994	3.3562	3.3562
H4	1.4895	2.7629	2.4612		2.4612	3.3562	3.3562	4.2994
H5	1.4895	2.7629	2.4612	2.4612		3.3562	4.2994	3.3562
Cl6	3.0339	1.7949	4.2994	3.3562	3.3562		2.9337	2.9337
Cl7	3.0339	1.7949	3.3562	3.3562	4.2994	2.9337		2.9337
Cl8	3.0339	1.7949	3.3562	4.2994	3.3562	2.9337	2.9337

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.329	Si1	C2	Cl7	109.329
Si1	C2	Cl8	109.329	C2	Si1	H3	107.443
C2	Si1	H4	107.443	C2	Si1	H5	107.443
H3	Si1	H4	111.421	H3	Si1	H5	111.421
H4	Si1	H5	111.421	Cl6	C2	Cl7	109.613
Cl6	C2	Cl8	109.613	Cl7	C2	Cl8	109.613

Number	Element	Mulliken
1	Si	0.845
2	C	0.548
3	H	-0.202
4	H	-0.202
5	H	-0.202
6	Cl	-0.262
7	Cl	-0.262
8	Cl	-0.262

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

using model chemistry: PBEPBE/aug-cc-pV(T+d)Z

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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<r²>	275.004
(<r²>)^1/2	16.583

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

using model chemistry: PBEPBE/aug-cc-pV(T+d)Z

States and conformations

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