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	hartrees
Energy at 0K	-1356.974014
Energy at 298.15K
HF Energy	-1356.974014
Nuclear repulsion energy	628.625045

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.264
Cl2	0.000	0.000	1.827
F3	0.000	1.606	-0.280
F4	1.606	0.000	-0.280
F5	0.000	-1.606	-0.280
F6	-1.606	0.000	-0.280
F7	0.000	0.000	-1.864

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0908	1.6061	1.6061	1.6061	1.6061	1.5999
Cl2	2.0908		2.6492	2.6492	2.6492	2.6492	3.6907
F3	1.6061	2.6492		2.2713	3.2121	2.2713	2.2556
F4	1.6061	2.6492	2.2713		2.2713	3.2121	2.2556
F5	1.6061	2.6492	3.2121	2.2713		2.2713	2.2556
F6	1.6061	2.6492	2.2713	3.2121	2.2713		2.2556
F7	1.5999	3.6907	2.2556	2.2556	2.2556	2.2556

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.573	Cl2	S1	F4	90.573
Cl2	S1	F5	90.573	Cl2	S1	F6	90.573
Cl2	S1	F7	180.000	F3	S1	F4	89.994
F3	S1	F5	178.855	F3	S1	F6	89.994
F3	S1	F7	89.427	F4	S1	F5	89.994
F4	S1	F6	178.855	F4	S1	F7	89.427
F5	S1	F6	89.994	F5	S1	F7	89.427
F6	S1	F7	89.427

Number	Element	Mulliken
1	S	0.554
2	Cl	-0.063
3	F	-0.094
4	F	-0.094
5	F	-0.094
6	F	-0.094
7	F	-0.116

All results from a given calculation for SF₅Cl (sulfur chloropentafluoride)

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

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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<r²>	216.079
(<r²>)^1/2	14.700

All results from a given calculation for SF5Cl (sulfur chloropentafluoride)

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

States and conformations

All results from a given calculation for SF₅Cl (sulfur chloropentafluoride)