Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for SiH₃CCl₃ ((trichloromethyl)silane)

using model chemistry: CCSD(T)/aug-cc-pVTZ

States and conformations

Geometric Data calculated at CCSD(T)/aug-cc-pVTZ

Point Group is C_3v

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.874
C2	0.000	0.000	-0.046
H3	0.000	-1.414	2.308
H4	1.225	0.707	2.308
H5	-1.225	0.707	2.308
Cl6	0.000	1.685	-0.645
Cl7	1.460	-0.843	-0.645
Cl8	-1.460	-0.843	-0.645

Atom - Atom Distances (Å)

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9197	1.4791	1.4791	1.4791	3.0306	3.0306	3.0306
C2	1.9197		2.7460	2.7460	2.7460	1.7886	1.7886	1.7886
H3	1.4791	2.7460		2.4490	2.4490	4.2809	3.3432	3.3432
H4	1.4791	2.7460	2.4490		2.4490	3.3432	3.3432	4.2809
H5	1.4791	2.7460	2.4490	2.4490		3.3432	4.2809	3.3432
Cl6	3.0306	1.7886	4.2809	3.3432	3.3432		2.9191	2.9191
Cl7	3.0306	1.7886	3.3432	3.3432	4.2809	2.9191		2.9191
Cl8	3.0306	1.7886	3.3432	4.2809	3.3432	2.9191	2.9191

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Si1	C2	Cl6	109.569		Si1	C2	Cl7	109.569
Si1	C2	Cl8	109.569		C2	Si1	H3	107.073
C2	Si1	H4	107.073		C2	Si1	H5	107.073
H3	Si1	H4	111.759		H3	Si1	H5	111.759
H4	Si1	H5	111.759		Cl6	C2	Cl7	109.373
Cl6	C2	Cl8	109.373		Cl7	C2	Cl8	109.373