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	hartrees
Energy at 0K	-1356.669322
Energy at 298.15K	-1356.672868
HF Energy	-1356.669322
Nuclear repulsion energy	618.187179

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	772	763	402.97
2	A₁	622	615	7.91
3	A₁	523	517	74.24
4	A₁	347	343	4.89
5	B₁	429	424	0.00
6	B₂	567	561	0.00
7	B₂	288	284	0.00
8	E	839	830	356.62
8	E	839	830	356.62
9	E	494	488	11.51
9	E	494	488	11.51
10	E	378	374	0.75
10	E	378	374	0.75
11	E	228	226	0.00
11	E	228	226	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.261
Cl2	0.000	0.000	1.854
F3	0.000	1.635	-0.287
F4	1.635	0.000	-0.287
F5	0.000	-1.635	-0.287
F6	-1.635	0.000	-0.287
F7	0.000	0.000	-1.891

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.1158	1.6355	1.6355	1.6355	1.6355	1.6294
Cl2	2.1158		2.6944	2.6944	2.6944	2.6944	3.7452
F3	1.6355	2.6944		2.3126	3.2706	2.3126	2.2904
F4	1.6355	2.6944	2.3126		2.3126	3.2706	2.2904
F5	1.6355	2.6944	3.2706	2.3126		2.3126	2.2904
F6	1.6355	2.6944	2.3126	3.2706	2.3126		2.2904
F7	1.6294	3.7452	2.2904	2.2904	2.2904	2.2904

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.899	Cl2	S1	F4	90.899
Cl2	S1	F5	90.899	Cl2	S1	F6	90.899
Cl2	S1	F7	180.000	F3	S1	F4	89.986
F3	S1	F5	178.202	F3	S1	F6	89.986
F3	S1	F7	89.101	F4	S1	F5	89.986
F4	S1	F6	178.202	F4	S1	F7	89.101
F5	S1	F6	89.986	F5	S1	F7	89.101
F6	S1	F7	89.101

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

using model chemistry: PBEPBE/6-31+G**

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	1.716
2	Cl	0.137
3	F	-0.347
4	F	-0.347
5	F	-0.347
6	F	-0.347
7	F	-0.466

	x	y	z	Total
	0.000	0.000	0.795	0.795
CHELPG
AIM
ESP

<r²>	222.869
(<r²>)^1/2	14.929

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

using model chemistry: PBEPBE/6-31+G**

States and conformations

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