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: MP4=FULL/aug-cc-pVTZ

States and conformations

Geometric Data calculated at MP4=FULL/aug-cc-pVTZ

Point Group is C_3v

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.859
C2	0.000	0.000	-0.048
H3	0.000	-1.410	2.293
H4	1.221	0.705	2.293
H5	-1.221	0.705	2.293
Cl6	0.000	1.680	-0.640
Cl7	1.455	-0.840	-0.640
Cl8	-1.455	-0.840	-0.640

Atom - Atom Distances (Å)

	Si1	C2	H3	H4	H5	Cl6	Cl7	Cl8
Si1		1.9070	1.4749	1.4749	1.4749	3.0113	3.0113	3.0113
C2	1.9070		2.7326	2.7326	2.7326	1.7813	1.7813	1.7813
H3	1.4749	2.7326		2.4415	2.4415	4.2601	3.3232	3.3232
H4	1.4749	2.7326	2.4415		2.4415	3.3232	3.3232	4.2601
H5	1.4749	2.7326	2.4415	2.4415		3.3232	4.2601	3.3232
Cl6	3.0113	1.7813	4.2601	3.3232	3.3232		2.9099	2.9099
Cl7	3.0113	1.7813	3.3232	3.3232	4.2601	2.9099		2.9099
Cl8	3.0113	1.7813	3.3232	4.2601	3.3232	2.9099	2.9099

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Si1	C2	Cl6	109.412		Si1	C2	Cl7	109.412
Si1	C2	Cl8	109.412		C2	Si1	H3	107.112
C2	Si1	H4	107.112		C2	Si1	H5	107.112
H3	Si1	H4	111.723		H3	Si1	H5	111.723
H4	Si1	H5	111.724		Cl6	C2	Cl7	109.531
Cl6	C2	Cl8	109.531		Cl7	C2	Cl8	109.531