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	hartrees
Energy at 0K	-1350.024694
Energy at 298.15K	-1350.028448
HF Energy	-1350.024694
Nuclear repulsion energy	626.673341

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	886	844	373.26
2	A₁	689	657	0.07
3	A₁	539	514	119.50
4	A₁	337	322	20.02
5	B₁	441	421	0.00
6	B₂	656	626	0.00
7	B₂	290	276	0.00
8	E	972	927	276.46
8	E	972	927	276.46
9	E	504	481	21.74
9	E	504	481	21.74
10	E	384	366	2.62
10	E	384	366	2.62
11	E	225	215	0.34
11	E	225	215	0.34

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.273
Cl2	0.000	0.000	1.838
F3	0.000	1.608	-0.278
F4	1.608	0.000	-0.278
F5	0.000	-1.608	-0.278
F6	-1.608	0.000	-0.278
F7	0.000	0.000	-1.874

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.1109	1.6083	1.6083	1.6083	1.6083	1.6008
Cl2	2.1109		2.6579	2.6579	2.6579	2.6579	3.7118
F3	1.6083	2.6579		2.2745	3.2166	2.2745	2.2656
F4	1.6083	2.6579	2.2745		2.2745	3.2166	2.2656
F5	1.6083	2.6579	3.2166	2.2745		2.2745	2.2656
F6	1.6083	2.6579	2.2745	3.2166	2.2745		2.2656
F7	1.6008	3.7118	2.2656	2.2656	2.2656	2.2656

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.184	Cl2	S1	F4	90.184
Cl2	S1	F5	90.184	Cl2	S1	F6	90.184
Cl2	S1	F7	180.000	F3	S1	F4	89.999
F3	S1	F5	179.632	F3	S1	F6	89.999
F3	S1	F7	89.816	F4	S1	F5	89.999
F4	S1	F6	179.632	F4	S1	F7	89.816
F5	S1	F6	89.999	F5	S1	F7	89.816
F6	S1	F7	89.816

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

using model chemistry: PBEPBE/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	1.411
2	Cl	-0.171
3	F	-0.248
4	F	-0.248
5	F	-0.248
6	F	-0.248
7	F	-0.249

	x	y	z	Total
	0.000	0.000	-0.302	0.302
CHELPG
AIM
ESP

<r²>	217.134
(<r²>)^1/2	14.735

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

using model chemistry: PBEPBE/3-21G*

States and conformations

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