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	hartrees
Energy at 0K	-1350.859925
Energy at 298.15K	-1350.863914
HF Energy	-1350.859925
Nuclear repulsion energy	632.334503

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	927	895	400.17
2	A₁	723	698	0.39
3	A₁	564	545	137.78
4	A₁	361	348	15.41
5	B₁	456	440	0.00
6	B₂	687	663	0.00
7	B₂	308	298	0.00
8	E	1016	981	297.47
8	E	1016	981	297.47
9	E	524	506	26.30
9	E	524	506	26.30
10	E	400	386	3.02
10	E	400	386	3.02
11	E	239	231	0.30
11	E	239	231	0.30

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.265
Cl2	0.000	0.000	1.818
F3	0.000	1.596	-0.277
F4	1.596	0.000	-0.277
F5	0.000	-1.596	-0.277
F6	-1.596	0.000	-0.277
F7	0.000	0.000	-1.854

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0827	1.5959	1.5959	1.5959	1.5959	1.5891
Cl2	2.0827		2.6331	2.6331	2.6331	2.6331	3.6718
F3	1.5959	2.6331		2.2569	3.1917	2.2569	2.2439
F4	1.5959	2.6331	2.2569		2.2569	3.1917	2.2439
F5	1.5959	2.6331	3.1917	2.2569		2.2569	2.2439
F6	1.5959	2.6331	2.2569	3.1917	2.2569		2.2439
F7	1.5891	3.6718	2.2439	2.2439	2.2439	2.2439

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.422	Cl2	S1	F4	90.422
Cl2	S1	F5	90.422	Cl2	S1	F6	90.422
Cl2	S1	F7	180.000	F3	S1	F4	89.997
F3	S1	F5	179.155	F3	S1	F6	89.997
F3	S1	F7	89.578	F4	S1	F5	89.997
F4	S1	F6	179.155	F4	S1	F7	89.578
F5	S1	F6	89.997	F5	S1	F7	89.578
F6	S1	F7	89.578

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

using model chemistry: TPSSh/3-21G*

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	1.550
2	Cl	-0.168
3	F	-0.276
4	F	-0.276
5	F	-0.276
6	F	-0.276
7	F	-0.278

	x	y	z	Total
	0.000	0.000	-0.052	0.052
CHELPG
AIM
ESP

<r²>	213.776
(<r²>)^1/2	14.621

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

using model chemistry: TPSSh/3-21G*

States and conformations

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