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: QCISD(T)/aug-cc-pVTZ

States and conformations

Geometric Data calculated at QCISD(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	2.310
H4	1.224	0.707	2.310
H5	-1.224	0.707	2.310
Cl6	0.000	1.686	-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	3.0311	3.0311	3.0311
C2	1.9197		2.7468	2.7468	2.7468	1.7892	1.7892	1.7892
H3	1.4791	2.7468		2.4483	2.4483	4.2819	3.3445	3.3445
H4	1.4791	2.7468	2.4483		2.4483	3.3445	3.3445	4.2819
H5	1.4791	2.7468	2.4483	2.4483		3.3445	4.2819	3.3445
Cl6	3.0311	1.7892	4.2819	3.3445	3.3445		2.9200	2.9200
Cl7	3.0311	1.7892	3.3445	3.3445	4.2819	2.9200		2.9200
Cl8	3.0311	1.7892	3.3445	4.2819	3.3445	2.9200	2.9200

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Si1	C2	Cl6	109.571		Si1	C2	Cl7	109.571
Si1	C2	Cl8	109.571		C2	Si1	H3	107.120
C2	Si1	H4	107.120		C2	Si1	H5	107.120
H3	Si1	H4	111.717		H3	Si1	H5	111.717
H4	Si1	H5	111.717		Cl6	C2	Cl7	109.371
Cl6	C2	Cl8	109.371		Cl7	C2	Cl8	109.371