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	hartrees
Energy at 0K	-1339.804829
Energy at 298.15K	-1339.806790
HF Energy	-1339.804829
Nuclear repulsion energy	571.206929

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	795	726	162.53
2	A₁	596	545	0.47
3	A₁	401	366	48.87
4	A₁	286	262	0.30
5	B₁	309	283	0.00
6	B₂	566	517	0.00
7	B₂	209	191	0.00
8	E	891	814	117.30
8	E	891	814	117.30
9	E	352	322	12.61
9	E	352	322	12.61
10	E	269	246	0.90
10	E	269	246	0.90
11	E	163	149	1.65
11	E	163	149	1.65

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.306
Cl2	0.000	0.000	2.048
F3	0.000	1.752	-0.315
F4	1.752	0.000	-0.315
F5	0.000	-1.752	-0.315
F6	-1.752	0.000	-0.315
F7	0.000	0.000	-2.062

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.3535	1.7524	1.7524	1.7524	1.7524	1.7564
Cl2	2.3535		2.9419	2.9419	2.9419	2.9419	4.1099
F3	1.7524	2.9419		2.4782	3.5047	2.4782	2.4742
F4	1.7524	2.9419	2.4782		2.4782	3.5047	2.4742
F5	1.7524	2.9419	3.5047	2.4782		2.4782	2.4742
F6	1.7524	2.9419	2.4782	3.5047	2.4782		2.4742
F7	1.7564	4.1099	2.4742	2.4742	2.4742	2.4742

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.314	Cl2	S1	F4	90.314
Cl2	S1	F5	90.314	Cl2	S1	F6	90.314
Cl2	S1	F7	180.000	F3	S1	F4	89.998
F3	S1	F5	179.372	F3	S1	F6	89.998
F3	S1	F7	89.686	F4	S1	F5	89.998
F4	S1	F6	179.372	F4	S1	F7	89.686
F5	S1	F6	89.998	F5	S1	F7	89.686
F6	S1	F7	89.686

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

using model chemistry: PBEPBE/STO-3G

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	0.876
2	Cl	-0.348
3	F	-0.101
4	F	-0.101
5	F	-0.101
6	F	-0.101
7	F	-0.123

	x	y	z	Total
	0.000	0.000	-3.142	3.142
CHELPG
AIM
ESP

<r²>	253.720
(<r²>)^1/2	15.929

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

using model chemistry: PBEPBE/STO-3G

States and conformations

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