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	hartrees
Energy at 0K	-1357.775567
Energy at 298.15K
HF Energy	-1357.775567
Nuclear repulsion energy	642.713486

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.258
Cl2	0.000	0.000	1.790
F3	0.000	1.570	-0.275
F4	1.570	0.000	-0.275
F5	0.000	-1.570	-0.275
F6	-1.570	0.000	-0.275
F7	0.000	0.000	-1.823

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0478	1.5699	1.5699	1.5699	1.5699	1.5649
Cl2	2.0478		2.5940	2.5940	2.5940	2.5940	3.6127
F3	1.5699	2.5940		2.2200	3.1396	2.2200	2.2044
F4	1.5699	2.5940	2.2200		2.2200	3.1396	2.2044
F5	1.5699	2.5940	3.1396	2.2200		2.2200	2.2044
F6	1.5699	2.5940	2.2200	3.1396	2.2200		2.2044
F7	1.5649	3.6127	2.2044	2.2044	2.2044	2.2044

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.634	Cl2	S1	F4	90.634
Cl2	S1	F5	90.634	Cl2	S1	F6	90.634
Cl2	S1	F7	180.000	F3	S1	F4	89.993
F3	S1	F5	178.732	F3	S1	F6	89.993
F3	S1	F7	89.366	F4	S1	F5	89.993
F4	S1	F6	178.732	F4	S1	F7	89.366
F5	S1	F6	89.993	F5	S1	F7	89.366
F6	S1	F7	89.366

Number	Element	Mulliken
1	S	0.601
2	Cl	-0.055
3	F	-0.105
4	F	-0.105
5	F	-0.105
6	F	-0.105
7	F	-0.126

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

using model chemistry: B1B95/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>	207.857
(<r²>)^1/2	14.417

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

using model chemistry: B1B95/aug-cc-pV(T+d)Z

States and conformations

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