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	hartrees
Energy at 0K	-1357.446454
Energy at 298.15K	-1357.450309
HF Energy	-1357.446454
Nuclear repulsion energy	627.621879

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	858	823	388.22
2	A₁	687	659	2.67
3	A₁	556	534	97.69
4	A₁	367	352	6.19
5	B₁	451	433	0.00
6	B₂	637	611	0.00
7	B₂	305	293	0.00
8	E	942	903	322.70
8	E	942	903	322.70
9	E	519	498	16.12
9	E	519	498	16.12
10	E	396	379	1.59
10	E	396	379	1.59
11	E	239	229	0.11
11	E	239	229	0.11

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.262
Cl2	0.000	0.000	1.831
F3	0.000	1.609	-0.282
F4	1.609	0.000	-0.282
F5	0.000	-1.609	-0.282
F6	-1.609	0.000	-0.282
F7	0.000	0.000	-1.865

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0934	1.6087	1.6087	1.6087	1.6087	1.6026
Cl2	2.0934		2.6557	2.6557	2.6557	2.6557	3.6960
F3	1.6087	2.6557		2.2749	3.2171	2.2749	2.2568
F4	1.6087	2.6557	2.2749		2.2749	3.2171	2.2568
F5	1.6087	2.6557	3.2171	2.2749		2.2749	2.2568
F6	1.6087	2.6557	2.2749	3.2171	2.2749		2.2568
F7	1.6026	3.6960	2.2568	2.2568	2.2568	2.2568

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.700	Cl2	S1	F4	90.700
Cl2	S1	F5	90.700	Cl2	S1	F6	90.700
Cl2	S1	F7	180.000	F3	S1	F4	89.991
F3	S1	F5	178.600	F3	S1	F6	89.991
F3	S1	F7	89.300	F4	S1	F5	89.991
F4	S1	F6	178.600	F4	S1	F7	89.300
F5	S1	F6	89.991	F5	S1	F7	89.300
F6	S1	F7	89.300

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

using model chemistry: TPSSh/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	1.464
2	Cl	-0.069
3	F	-0.280
4	F	-0.280
5	F	-0.280
6	F	-0.280
7	F	-0.275

	x	y	z	Total
	0.000	0.000	0.233	0.233
CHELPG
AIM
ESP

<r²>	216.320
(<r²>)^1/2	14.708

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

using model chemistry: TPSSh/6-31G*

States and conformations

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