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	hartrees
Energy at 0K	-1709.915555
Energy at 298.15K
HF Energy	-1709.915555
Nuclear repulsion energy	438.550737

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.864
C2	0.000	0.000	-0.051
H3	0.000	-1.411	2.308
H4	1.222	0.705	2.308
H5	-1.222	0.705	2.308
Cl6	0.000	1.681	-0.641
Cl7	1.456	-0.840	-0.641
Cl8	-1.456	-0.840	-0.641

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9156	1.4789	1.4789	1.4789	3.0173	3.0173	3.0173
C2	1.9156		2.7488	2.7488	2.7488	1.7814	1.7814	1.7814
H3	1.4789	2.7488		2.4436	2.4436	4.2728	3.3381	3.3381
H4	1.4789	2.7488	2.4436		2.4436	3.3381	3.3381	4.2728
H5	1.4789	2.7488	2.4436	2.4436		3.3381	4.2728	3.3381
Cl6	3.0173	1.7814	4.2728	3.3381	3.3381		2.9112	2.9112
Cl7	3.0173	1.7814	3.3381	3.3381	4.2728	2.9112		2.9112
Cl8	3.0173	1.7814	3.3381	4.2728	3.3381	2.9112	2.9112

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.347	Si1	C2	Cl7	109.347
Si1	C2	Cl8	109.347	C2	Si1	H3	107.452
C2	Si1	H4	107.452	C2	Si1	H5	107.452
H3	Si1	H4	111.412	H3	Si1	H5	111.412
H4	Si1	H5	111.413	Cl6	C2	Cl7	109.595
Cl6	C2	Cl8	109.595	Cl7	C2	Cl8	109.595

Number	Element	Mulliken
1	Si	0.987
2	C	0.637
3	H	-0.234
4	H	-0.234
5	H	-0.234
6	Cl	-0.308
7	Cl	-0.308
8	Cl	-0.308

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

using model chemistry: B3PW91/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>	271.616
(<r²>)^1/2	16.481

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

using model chemistry: B3PW91/aug-cc-pV(T+d)Z

States and conformations

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