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	hartrees
Energy at 0K	-1356.971899
Energy at 298.15K	-1356.976132
HF Energy	-1356.457291
Nuclear repulsion energy	638.582369

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	869	869	399.60
2	A₁	704	704	8.30
3	A₁	597	597	80.35
4	A₁	395	395	9.08
5	B₁	496	496	0.00
6	B₂	634	634	0.00
7	B₂	334	334	0.00
8	E	936	936	289.78
8	E	936	936	289.78
9	E	570	570	12.41
9	E	570	570	12.41
10	E	434	434	0.77
10	E	434	434	0.77
11	E	263	263	0.04
11	E	263	263	0.04

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.267
Cl2	0.000	0.000	1.811
F3	0.000	1.576	-0.278
F4	1.576	0.000	-0.278
F5	0.000	-1.576	-0.278
F6	-1.576	0.000	-0.278
F7	0.000	0.000	-1.837

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0783	1.5762	1.5762	1.5762	1.5762	1.5696
Cl2	2.0783		2.6170	2.6170	2.6170	2.6170	3.6479
F3	1.5762	2.6170		2.2290	3.1524	2.2290	2.2168
F4	1.5762	2.6170	2.2290		2.2290	3.1524	2.2168
F5	1.5762	2.6170	3.1524	2.2290		2.2290	2.2168
F6	1.5762	2.6170	2.2290	3.1524	2.2290		2.2168
F7	1.5696	3.6479	2.2168	2.2168	2.2168	2.2168

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.392	Cl2	S1	F4	90.392
Cl2	S1	F5	90.392	Cl2	S1	F6	90.392
Cl2	S1	F7	180.000	F3	S1	F4	89.997
F3	S1	F5	179.216	F3	S1	F6	89.997
F3	S1	F7	89.608	F4	S1	F5	89.997
F4	S1	F6	179.216	F4	S1	F7	89.608
F5	S1	F6	89.997	F5	S1	F7	89.608
F6	S1	F7	89.608

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

using model chemistry: B2PLYP=FULL/6-31G(2df,p)

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

using model chemistry: B2PLYP=FULL/6-31G(2df,p)

States and conformations

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