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	hartrees
Energy at 0K	-1356.967723
Energy at 298.15K
HF Energy	-1356.967723
Nuclear repulsion energy	629.017572

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.265
Cl2	0.000	0.000	1.828
F3	0.000	1.604	-0.280
F4	1.604	0.000	-0.280
F5	0.000	-1.604	-0.280
F6	-1.604	0.000	-0.280
F7	0.000	0.000	-1.863

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0930	1.6041	1.6041	1.6041	1.6041	1.5986
Cl2	2.0930		2.6488	2.6488	2.6488	2.6488	3.6915
F3	1.6041	2.6488		2.2685	3.2081	2.2685	2.2541
F4	1.6041	2.6488	2.2685		2.2685	3.2081	2.2541
F5	1.6041	2.6488	3.2081	2.2685		2.2685	2.2541
F6	1.6041	2.6488	2.2685	3.2081	2.2685		2.2541
F7	1.5986	3.6915	2.2541	2.2541	2.2541	2.2541

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.535	Cl2	S1	F4	90.535
Cl2	S1	F5	90.535	Cl2	S1	F6	90.535
Cl2	S1	F7	180.000	F3	S1	F4	89.995
F3	S1	F5	178.931	F3	S1	F6	89.995
F3	S1	F7	89.465	F4	S1	F5	89.995
F4	S1	F6	178.931	F4	S1	F7	89.465
F5	S1	F6	89.995	F5	S1	F7	89.465
F6	S1	F7	89.465

Number	Element	Mulliken
1	S	0.871
2	Cl	-0.087
3	F	-0.158
4	F	-0.158
5	F	-0.158
6	F	-0.158
7	F	-0.152

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

using model chemistry: PBEPBE/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>	215.692
(<r²>)^1/2	14.686

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

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

States and conformations

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