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	hartrees
Energy at 0K	-1356.837557
Energy at 298.15K	-1356.841822
HF Energy	-1356.837557
Nuclear repulsion energy	640.272647

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	875	838	402.19
2	A₁	715	684	9.03
3	A₁	599	574	83.07
4	A₁	400	383	8.72
5	B₁	498	477	0.00
6	B₂	641	614	0.00
7	B₂	334	320	0.00
8	E	952	911	293.21
8	E	952	911	293.21
9	E	573	549	12.92
9	E	573	549	12.92
10	E	435	417	0.76
10	E	435	417	0.76
11	E	264	253	0.04
11	E	264	253	0.04

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.264
Cl2	0.000	0.000	1.804
F3	0.000	1.573	-0.276
F4	1.573	0.000	-0.276
F5	0.000	-1.573	-0.276
F6	-1.573	0.000	-0.276
F7	0.000	0.000	-1.832

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0689	1.5726	1.5726	1.5726	1.5726	1.5678
Cl2	2.0689		2.6083	2.6083	2.6083	2.6083	3.6368
F3	1.5726	2.6083		2.2240	3.1452	2.2240	2.2122
F4	1.5726	2.6083	2.2240		2.2240	3.1452	2.2122
F5	1.5726	2.6083	3.1452	2.2240		2.2240	2.2122
F6	1.5726	2.6083	2.2240	3.1452	2.2240		2.2122
F7	1.5678	3.6368	2.2122	2.2122	2.2122	2.2122

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.437	Cl2	S1	F4	90.437
Cl2	S1	F5	90.437	Cl2	S1	F6	90.437
Cl2	S1	F7	180.000	F3	S1	F4	89.997
F3	S1	F5	179.126	F3	S1	F6	89.997
F3	S1	F7	89.563	F4	S1	F5	89.997
F4	S1	F6	179.126	F4	S1	F7	89.563
F5	S1	F6	89.997	F5	S1	F7	89.563
F6	S1	F7	89.563

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

using model chemistry: HSEh1PBE/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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Number	Element	Mulliken
1	S	0.725
2	Cl	-0.158
3	F	-0.132
4	F	-0.132
5	F	-0.132
6	F	-0.132
7	F	-0.041

	x	y	z	Total
	0.000	0.000	0.061	0.061
CHELPG
AIM
ESP

<r²>	208.931
(<r²>)^1/2	14.454

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

using model chemistry: HSEh1PBE/6-31G(2df,p)

States and conformations

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