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	hartrees
Energy at 0K	-1357.446887
Energy at 298.15K	-1357.450789
HF Energy	-1357.446887
Nuclear repulsion energy	626.651530

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	854	820	389.07
2	A₁	683	656	2.81
3	A₁	561	539	94.70
4	A₁	368	354	5.62
5	B₁	457	439	0.00
6	B₂	633	608	0.00
7	B₂	307	295	0.00
8	E	933	896	322.10
8	E	933	896	322.10
9	E	525	505	15.41
9	E	525	505	15.41
10	E	400	384	1.61
10	E	400	384	1.61
11	E	240	231	0.10
11	E	240	231	0.10

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.264
Cl2	0.000	0.000	1.838
F3	0.000	1.610	-0.284
F4	1.610	0.000	-0.284
F5	0.000	-1.610	-0.284
F6	-1.610	0.000	-0.284
F7	0.000	0.000	-1.867

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.1025	1.6099	1.6099	1.6099	1.6099	1.6026
Cl2	2.1025		2.6635	2.6635	2.6635	2.6635	3.7052
F3	1.6099	2.6635		2.2766	3.2196	2.2766	2.2578
F4	1.6099	2.6635	2.2766		2.2766	3.2196	2.2578
F5	1.6099	2.6635	3.2196	2.2766		2.2766	2.2578
F6	1.6099	2.6635	2.2766	3.2196	2.2766		2.2578
F7	1.6026	3.7052	2.2578	2.2578	2.2578	2.2578

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.694	Cl2	S1	F4	90.694
Cl2	S1	F5	90.694	Cl2	S1	F6	90.694
Cl2	S1	F7	180.000	F3	S1	F4	89.992
F3	S1	F5	178.612	F3	S1	F6	89.992
F3	S1	F7	89.306	F4	S1	F5	89.992
F4	S1	F6	178.612	F4	S1	F7	89.306
F5	S1	F6	89.992	F5	S1	F7	89.306
F6	S1	F7	89.306

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

using model chemistry: B3LYP/6-31G**

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	1.484
2	Cl	-0.067
3	F	-0.285
4	F	-0.285
5	F	-0.285
6	F	-0.285
7	F	-0.275

	x	y	z	Total
	0.000	0.000	0.320	0.320
CHELPG
AIM
ESP

<r²>	217.119
(<r²>)^1/2	14.735

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

using model chemistry: B3LYP/6-31G**

States and conformations

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