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: QCISD(T)/aug-cc-pVTZ

States and conformations

Geometric Data calculated at QCISD(T)/aug-cc-pVTZ

Point Group is C_4v

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.259
Cl2	0.000	0.000	1.809
F3	0.000	1.586	-0.279
F4	1.586	0.000	-0.279
F5	0.000	-1.586	-0.279
F6	-1.586	0.000	-0.279
F7	0.000	0.000	-1.838

Atom - Atom Distances (Å)

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0685	1.5856	1.5856	1.5856	1.5856	1.5790
Cl2	2.0685		2.6222	2.6222	2.6222	2.6222	3.6475
F3	1.5856	2.6222		2.2423	3.1710	2.2423	2.2236
F4	1.5856	2.6222	2.2423		2.2423	3.1710	2.2236
F5	1.5856	2.6222	3.1710	2.2423		2.2423	2.2236
F6	1.5856	2.6222	2.2423	3.1710	2.2423		2.2236
F7	1.5790	3.6475	2.2236	2.2236	2.2236	2.2236

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	S1	F3	90.722		Cl2	S1	F4	90.722
Cl2	S1	F5	90.722		Cl2	S1	F6	90.722
Cl2	S1	F7	180.000		F3	S1	F4	89.991
F3	S1	F5	178.556		F3	S1	F6	89.991
F3	S1	F7	89.278		F4	S1	F5	89.991
F4	S1	F6	178.556		F4	S1	F7	89.278
F5	S1	F6	89.991		F5	S1	F7	89.278
F6	S1	F7	89.278