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)=FULL/cc-pV(T+d)Z

States and conformations

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

Point Group is C_4v

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.260
Cl2	0.000	0.000	1.794
F3	0.000	1.569	-0.275
F4	1.569	0.000	-0.275
F5	0.000	-1.569	-0.275
F6	-1.569	0.000	-0.275
F7	0.000	0.000	-1.823

Atom - Atom Distances (Å)

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0536	1.5687	1.5687	1.5687	1.5687	1.5634
Cl2	2.0536		2.5964	2.5964	2.5964	2.5964	3.6170
F3	1.5687	2.5964		2.2184	3.1372	2.2184	2.2038
F4	1.5687	2.5964	2.2184		2.2184	3.1372	2.2038
F5	1.5687	2.5964	3.1372	2.2184		2.2184	2.2038
F6	1.5687	2.5964	2.2184	3.1372	2.2184		2.2038
F7	1.5634	3.6170	2.2038	2.2038	2.2038	2.2038

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	S1	F3	90.564		Cl2	S1	F4	90.564
Cl2	S1	F5	90.564		Cl2	S1	F6	90.564
Cl2	S1	F7	180.000		F3	S1	F4	89.994
F3	S1	F5	178.873		F3	S1	F6	89.994
F3	S1	F7	89.436		F4	S1	F5	89.994
F4	S1	F6	178.873		F4	S1	F7	89.436
F5	S1	F6	89.994		F5	S1	F7	89.436
F6	S1	F7	89.436