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	hartrees
Energy at 0K	-1350.597185
Energy at 298.15K	-1350.601308
HF Energy	-1350.597185
Nuclear repulsion energy	635.006828

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	936	898	413.73
2	A₁	733	703	0.71
3	A₁	581	557	139.80
4	A₁	379	364	12.99
5	B₁	470	451	0.00
6	B₂	694	666	0.00
7	B₂	317	304	0.00
8	E	1024	982	306.85
8	E	1024	982	306.85
9	E	540	518	27.27
9	E	540	518	27.27
10	E	413	396	3.10
10	E	413	396	3.10
11	E	248	238	0.25
11	E	248	238	0.25

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.262
Cl2	0.000	0.000	1.806
F3	0.000	1.590	-0.275
F4	1.590	0.000	-0.275
F5	0.000	-1.590	-0.275
F6	-1.590	0.000	-0.275
F7	0.000	0.000	-1.846

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0682	1.5905	1.5905	1.5905	1.5905	1.5842
Cl2	2.0682		2.6197	2.6197	2.6197	2.6197	3.6524
F3	1.5905	2.6197		2.2492	3.1809	2.2492	2.2353
F4	1.5905	2.6197	2.2492		2.2492	3.1809	2.2353
F5	1.5905	2.6197	3.1809	2.2492		2.2492	2.2353
F6	1.5905	2.6197	2.2492	3.1809	2.2492		2.2353
F7	1.5842	3.6524	2.2353	2.2353	2.2353	2.2353

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.485	Cl2	S1	F4	90.485
Cl2	S1	F5	90.485	Cl2	S1	F6	90.485
Cl2	S1	F7	180.000	F3	S1	F4	89.996
F3	S1	F5	179.031	F3	S1	F6	89.996
F3	S1	F7	89.515	F4	S1	F5	89.996
F4	S1	F6	179.031	F4	S1	F7	89.515
F5	S1	F6	89.996	F5	S1	F7	89.515
F6	S1	F7	89.515

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

using model chemistry: B3PW91/3-21G*

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	1.568
2	Cl	-0.163
3	F	-0.281
4	F	-0.281
5	F	-0.281
6	F	-0.281
7	F	-0.282

	x	y	z	Total
	0.000	0.000	0.061	0.061
CHELPG
AIM
ESP

<r²>	212.122
(<r²>)^1/2	14.564

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

using model chemistry: B3PW91/3-21G*

States and conformations

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