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	hartrees
Energy at 0K	-1709.452222
Energy at 298.15K
HF Energy	-1709.452222
Nuclear repulsion energy	440.040794

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.858
C2	0.000	0.000	-0.054
H3	0.000	-1.413	2.301
H4	1.223	0.706	2.301
H5	-1.223	0.706	2.301
Cl6	0.000	1.675	-0.639
Cl7	1.450	-0.837	-0.639
Cl8	-1.450	-0.837	-0.639

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9120	1.4805	1.4805	1.4805	3.0068	3.0068	3.0068
C2	1.9120		2.7460	2.7460	2.7460	1.7740	1.7740	1.7740
H3	1.4805	2.7460		2.4470	2.4470	4.2632	3.3283	3.3283
H4	1.4805	2.7460	2.4470		2.4470	3.3283	3.3283	4.2632
H5	1.4805	2.7460	2.4470	2.4470		3.3283	4.2632	3.3283
Cl6	3.0068	1.7740	4.2632	3.3283	3.3283		2.9006	2.9006
Cl7	3.0068	1.7740	3.3283	3.3283	4.2632	2.9006		2.9006
Cl8	3.0068	1.7740	3.3283	4.2632	3.3283	2.9006	2.9006

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	Cl6	109.263	Si1	C2	Cl7	109.263
Si1	C2	Cl8	109.263	C2	Si1	H3	107.396
C2	Si1	H4	107.396	C2	Si1	H5	107.396
H3	Si1	H4	111.464	H3	Si1	H5	111.464
H4	Si1	H5	111.464	Cl6	C2	Cl7	109.679
Cl6	C2	Cl8	109.679	Cl7	C2	Cl8	109.679

Number	Element	Mulliken
1	Si	0.298
2	C	-0.052
3	H	-0.021
4	H	-0.021
5	H	-0.021
6	Cl	-0.062
7	Cl	-0.062
8	Cl	-0.062

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

using model chemistry: PBE1PBE/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>	269.974
(<r²>)^1/2	16.431

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

using model chemistry: PBE1PBE/cc-pV(T+d)Z

States and conformations

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