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 SF₅Cl (sulfur chloropentafluoride)

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

States and conformations

Geometric Data calculated at CCSD(T)/aug-cc-pV(T+d)Z

Point Group is C_4v

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.262
Cl2	0.000	0.000	1.800
F3	0.000	1.572	-0.277
F4	1.572	0.000	-0.277
F5	0.000	-1.572	-0.277
F6	-1.572	0.000	-0.277
F7	0.000	0.000	-1.829

Atom - Atom Distances (Å)

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0621	1.5726	1.5726	1.5726	1.5726	1.5669
Cl2	2.0621		2.6052	2.6052	2.6052	2.6052	3.6290
F3	1.5726	2.6052		2.2238	3.1450	2.2238	2.2094
F4	1.5726	2.6052	2.2238		2.2238	3.1450	2.2094
F5	1.5726	2.6052	3.1450	2.2238		2.2238	2.2094
F6	1.5726	2.6052	2.2238	3.1450	2.2238		2.2094
F7	1.5669	3.6290	2.2094	2.2094	2.2094	2.2094

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	S1	F3	90.544		Cl2	S1	F4	90.544
Cl2	S1	F5	90.544		Cl2	S1	F6	90.544
Cl2	S1	F7	180.000		F3	S1	F4	89.995
F3	S1	F5	178.912		F3	S1	F6	89.995
F3	S1	F7	89.456		F4	S1	F5	89.995
F4	S1	F6	178.912		F4	S1	F7	89.456
F5	S1	F6	89.995		F5	S1	F7	89.456
F6	S1	F7	89.456