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: B2PLYP=FULL/cc-pV(T+d)Z

States and conformations

Geometric Data calculated at B2PLYP=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	-0.262
Cl2	0.000	0.000	1.806
F3	0.000	1.579	-0.278
F4	1.579	0.000	-0.278
F5	0.000	-1.579	-0.278
F6	-1.579	0.000	-0.278
F7	0.000	0.000	-1.835

Atom - Atom Distances (Å)

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0681	1.5790	1.5790	1.5790	1.5790	1.5730
Cl2	2.0681		2.6144	2.6144	2.6144	2.6144	3.6411
F3	1.5790	2.6144		2.2329	3.1578	2.2329	2.2177
F4	1.5790	2.6144	2.2329		2.2329	3.1578	2.2177
F5	1.5790	2.6144	3.1578	2.2329		2.2329	2.2177
F6	1.5790	2.6144	2.2329	3.1578	2.2329		2.2177
F7	1.5730	3.6411	2.2177	2.2177	2.2177	2.2177

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	S1	F3	90.568		Cl2	S1	F4	90.568
Cl2	S1	F5	90.568		Cl2	S1	F6	90.568
Cl2	S1	F7	180.000		F3	S1	F4	89.994
F3	S1	F5	178.863		F3	S1	F6	89.994
F3	S1	F7	89.432		F4	S1	F5	89.994
F4	S1	F6	178.863		F4	S1	F7	89.432
F5	S1	F6	89.994		F5	S1	F7	89.432
F6	S1	F7	89.432