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	hartrees
Energy at 0K	-1347.496543
Energy at 298.15K	-1347.501401
HF Energy	-1347.496543
Nuclear repulsion energy	648.622885

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1058	955	514.20
2	A₁	839	757	3.95
3	A₁	674	608	189.50
4	A₁	466	421	2.60
5	B₁	540	487	0.00
6	B₂	785	709	0.00
7	B₂	379	342	0.00
8	E	1152	1040	385.37
8	E	1152	1040	385.37
9	E	623	562	44.21
9	E	623	562	44.21
10	E	480	434	4.59
10	E	480	434	4.59
11	E	298	269	0.15
11	E	298	269	0.15

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.247
Cl2	0.000	0.000	1.763
F3	0.000	1.560	-0.272
F4	1.560	0.000	-0.272
F5	0.000	-1.560	-0.272
F6	-1.560	0.000	-0.272
F7	0.000	0.000	-1.803

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0100	1.5600	1.5600	1.5600	1.5600	1.5561
Cl2	2.0100		2.5644	2.5644	2.5644	2.5644	3.5661
F3	1.5600	2.5644		2.2059	3.1196	2.2059	2.1854
F4	1.5600	2.5644	2.2059		2.2059	3.1196	2.1854
F5	1.5600	2.5644	3.1196	2.2059		2.2059	2.1854
F6	1.5600	2.5644	2.2059	3.1196	2.2059		2.1854
F7	1.5561	3.5661	2.1854	2.1854	2.1854	2.1854

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.935	Cl2	S1	F4	90.935
Cl2	S1	F5	90.935	Cl2	S1	F6	90.935
Cl2	S1	F7	180.000	F3	S1	F4	89.985
F3	S1	F5	178.131	F3	S1	F6	89.985
F3	S1	F7	89.065	F4	S1	F5	89.985
F4	S1	F6	178.131	F4	S1	F7	89.065
F5	S1	F6	89.985	F5	S1	F7	89.065
F6	S1	F7	89.065

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

using model chemistry: HF/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	2.028
2	Cl	-0.166
3	F	-0.372
4	F	-0.372
5	F	-0.372
6	F	-0.372
7	F	-0.374

	x	y	z	Total
	0.000	0.000	0.701	0.701
CHELPG
AIM
ESP

<r²>	205.072
(<r²>)^1/2	14.320

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

using model chemistry: HF/3-21G*

States and conformations

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