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	hartrees
Energy at 0K	-1356.765888
Energy at 298.15K	-1356.769879
HF Energy	-1356.380348
Nuclear repulsion energy	629.462727

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	870	825	396.91
2	A₁	695	660	2.78
3	A₁	573	543	98.07
4	A₁	384	365	3.88
5	B₁	465	441	0.00
6	B₂	645	612	0.00
7	B₂	315	299	0.00
8	E	951	902	328.61
8	E	951	902	328.61
9	E	535	507	17.14
9	E	535	507	17.14
10	E	409	388	1.81
10	E	409	388	1.81
11	E	247	235	0.08
11	E	247	235	0.08

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.259
Cl2	0.000	0.000	1.822
F3	0.000	1.606	-0.281
F4	1.606	0.000	-0.281
F5	0.000	-1.606	-0.281
F6	-1.606	0.000	-0.281
F7	0.000	0.000	-1.858

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0807	1.6057	1.6057	1.6057	1.6057	1.5990
Cl2	2.0807		2.6460	2.6460	2.6460	2.6460	3.6797
F3	1.6057	2.6460		2.2706	3.2111	2.2706	2.2502
F4	1.6057	2.6460	2.2706		2.2706	3.2111	2.2502
F5	1.6057	2.6460	3.2111	2.2706		2.2706	2.2502
F6	1.6057	2.6460	2.2706	3.2111	2.2706		2.2502
F7	1.5990	3.6797	2.2502	2.2502	2.2502	2.2502

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.803	Cl2	S1	F4	90.803
Cl2	S1	F5	90.803	Cl2	S1	F6	90.803
Cl2	S1	F7	180.000	F3	S1	F4	89.989
F3	S1	F5	178.395	F3	S1	F6	89.989
F3	S1	F7	89.197	F4	S1	F5	89.989
F4	S1	F6	178.395	F4	S1	F7	89.197
F5	S1	F6	89.989	F5	S1	F7	89.197
F6	S1	F7	89.197

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

using model chemistry: B2PLYP/6-31G*

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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Number	Element	Mulliken
1	S	1.557
2	Cl	-0.065
3	F	-0.300
4	F	-0.300
5	F	-0.300
6	F	-0.300
7	F	-0.290

	x	y	z	Total
	0.000	0.000	0.421	0.421
CHELPG
AIM
ESP

<r²>	215.381
(<r²>)^1/2	14.676

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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