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	hartrees
Energy at 0K	-1357.794911
Energy at 298.15K
HF Energy	-1357.794911
Nuclear repulsion energy	634.139116

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.265
Cl2	0.000	0.000	1.822
F3	0.000	1.588	-0.281
F4	1.588	0.000	-0.281
F5	0.000	-1.588	-0.281
F6	-1.588	0.000	-0.281
F7	0.000	0.000	-1.846

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0871	1.5886	1.5886	1.5886	1.5886	1.5816
Cl2	2.0871		2.6359	2.6359	2.6359	2.6359	3.6687
F3	1.5886	2.6359		2.2465	3.1770	2.2465	2.2301
F4	1.5886	2.6359	2.2465		2.2465	3.1770	2.2301
F5	1.5886	2.6359	3.1770	2.2465		2.2465	2.2301
F6	1.5886	2.6359	2.2465	3.1770	2.2465		2.2301
F7	1.5816	3.6687	2.2301	2.2301	2.2301	2.2301

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.590	Cl2	S1	F4	90.590
Cl2	S1	F5	90.590	Cl2	S1	F6	90.590
Cl2	S1	F7	180.000	F3	S1	F4	89.994
F3	S1	F5	178.821	F3	S1	F6	89.994
F3	S1	F7	89.410	F4	S1	F5	89.994
F4	S1	F6	178.821	F4	S1	F7	89.410
F5	S1	F6	89.994	F5	S1	F7	89.410
F6	S1	F7	89.410

Number	Element	Mulliken
1	S	0.802
2	Cl	-0.096
3	F	-0.138
4	F	-0.138
5	F	-0.138
6	F	-0.138
7	F	-0.155

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

using model chemistry: B3LYP/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>	213.314
(<r²>)^1/2	14.605

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

using model chemistry: B3LYP/aug-cc-pV(T+d)Z

States and conformations

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