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	hartrees
Energy at 0K	-1356.886273
Energy at 298.15K	-1356.890280
HF Energy	-1356.886273
Nuclear repulsion energy	626.684096

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	849	817	406.10
2	A₁	678	652	3.85
3	A₁	570	548	75.97
4	A₁	395	380	1.55
5	B₁	451	434	0.00
6	B₂	628	604	0.00
7	B₂	316	304	0.00
8	E	926	891	325.63
8	E	926	891	325.63
9	E	528	508	12.98
9	E	528	508	12.98
10	E	402	387	0.52
10	E	402	387	0.52
11	E	249	239	0.00
11	E	249	239	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.255
Cl2	0.000	0.000	1.820
F3	0.000	1.616	-0.280
F4	1.616	0.000	-0.280
F5	0.000	-1.616	-0.280
F6	-1.616	0.000	-0.280
F7	0.000	0.000	-1.867

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0748	1.6160	1.6160	1.6160	1.6160	1.6126
Cl2	2.0748		2.6496	2.6496	2.6496	2.6496	3.6874
F3	1.6160	2.6496		2.2851	3.2316	2.2851	2.2652
F4	1.6160	2.6496	2.2851		2.2851	3.2316	2.2652
F5	1.6160	2.6496	3.2316	2.2851		2.2851	2.2652
F6	1.6160	2.6496	2.2851	3.2316	2.2851		2.2652
F7	1.6126	3.6874	2.2652	2.2652	2.2652	2.2652

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.889	Cl2	S1	F4	90.889
Cl2	S1	F5	90.889	Cl2	S1	F6	90.889
Cl2	S1	F7	180.000	F3	S1	F4	89.986
F3	S1	F5	178.221	F3	S1	F6	89.986
F3	S1	F7	89.111	F4	S1	F5	89.986
F4	S1	F6	178.221	F4	S1	F7	89.111
F5	S1	F6	89.986	F5	S1	F7	89.111
F6	S1	F7	89.111

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

using model chemistry: HSEh1PBE/aug-cc-pVDZ

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	2.318
2	Cl	-0.149
3	F	-0.421
4	F	-0.421
5	F	-0.421
6	F	-0.421
7	F	-0.483

	x	y	z	Total
	0.000	0.000	0.785	0.785
CHELPG
AIM
ESP

<r²>	217.021
(<r²>)^1/2	14.732

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

using model chemistry: HSEh1PBE/aug-cc-pVDZ

States and conformations

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