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	hartrees
Energy at 0K	-1354.330150
Energy at 298.15K	-1354.334959
HF Energy	-1354.330150
Nuclear repulsion energy	650.473435

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	962	876	495.92
2	A₁	804	732	28.15
3	A₁	663	604	121.90
4	A₁	446	406	4.13
5	B₁	557	508	0.00
6	B₂	709	646	0.00
7	B₂	375	341	0.00
8	E	1036	944	381.41
8	E	1036	944	381.41
9	E	639	582	23.60
9	E	639	582	23.60
10	E	485	442	1.21
10	E	485	442	1.21
11	E	294	267	0.01
11	E	294	267	0.01

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.261
Cl2	0.000	0.000	1.788
F3	0.000	1.544	-0.278
F4	1.544	0.000	-0.278
F5	0.000	-1.544	-0.278
F6	-1.544	0.000	-0.278
F7	0.000	0.000	-1.801

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0485	1.5445	1.5445	1.5445	1.5445	1.5407
Cl2	2.0485		2.5795	2.5795	2.5795	2.5795	3.5892
F3	1.5445	2.5795		2.1841	3.0888	2.1841	2.1691
F4	1.5445	2.5795	2.1841		2.1841	3.0888	2.1691
F5	1.5445	2.5795	3.0888	2.1841		2.1841	2.1691
F6	1.5445	2.5795	2.1841	3.0888	2.1841		2.1691
F7	1.5407	3.5892	2.1691	2.1691	2.1691	2.1691

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.652	Cl2	S1	F4	90.652
Cl2	S1	F5	90.652	Cl2	S1	F6	90.652
Cl2	S1	F7	180.000	F3	S1	F4	89.993
F3	S1	F5	178.697	F3	S1	F6	89.993
F3	S1	F7	89.348	F4	S1	F5	89.993
F4	S1	F6	178.697	F4	S1	F7	89.348
F5	S1	F6	89.993	F5	S1	F7	89.348
F6	S1	F7	89.348

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

using model chemistry: HF/aug-cc-pVTZ

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	2.788
2	Cl	-0.315
3	F	-0.493
4	F	-0.493
5	F	-0.493
6	F	-0.493
7	F	-0.499

	x	y	z	Total
	0.000	0.000	0.438	0.438
CHELPG
AIM
ESP

<r²>	204.589
(<r²>)^1/2	14.303

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

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