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	hartrees
Energy at 0K	-1357.316296
Energy at 298.15K	-1357.318551
HF Energy	-1357.316296
Nuclear repulsion energy	570.377172

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	690	663	229.47
2	A₁	521	501	0.13
3	A₁	419	403	62.54
4	A₁	275	265	1.91
5	B₁	317	305	0.00
6	B₂	503	484	0.00
7	B₂	212	203	0.00
8	E	728	700	240.50
8	E	728	700	240.50
9	E	370	355	14.03
9	E	370	355	14.03
10	E	273	262	2.51
10	E	273	262	2.51
11	E	164	157	0.03
11	E	164	157	0.03

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.297
Cl2	0.000	0.000	2.048
F3	0.000	1.763	-0.326
F4	1.763	0.000	-0.326
F5	0.000	-1.763	-0.326
F6	-1.763	0.000	-0.326
F7	0.000	0.000	-2.037

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.3450	1.7628	1.7628	1.7628	1.7628	1.7393
Cl2	2.3450		2.9564	2.9564	2.9564	2.9564	4.0843
F3	1.7628	2.9564		2.4926	3.5251	2.4926	2.4562
F4	1.7628	2.9564	2.4926		2.4926	3.5251	2.4562
F5	1.7628	2.9564	3.5251	2.4926		2.4926	2.4562
F6	1.7628	2.9564	2.4926	3.5251	2.4926		2.4562
F7	1.7393	4.0843	2.4562	2.4562	2.4562	2.4562

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.928	Cl2	S1	F4	90.928
Cl2	S1	F5	90.928	Cl2	S1	F6	90.928
Cl2	S1	F7	180.000	F3	S1	F4	89.985
F3	S1	F5	178.144	F3	S1	F6	89.985
F3	S1	F7	89.072	F4	S1	F5	89.985
F4	S1	F6	178.144	F4	S1	F7	89.072
F5	S1	F6	89.985	F5	S1	F7	89.072
F6	S1	F7	89.072

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

using model chemistry: B3LYP/SDD

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	1.474
2	Cl	0.068
3	F	-0.310
4	F	-0.310
5	F	-0.310
6	F	-0.310
7	F	-0.303

	x	y	z	Total
	0.000	0.000	1.658	1.658
CHELPG
AIM
ESP

<r²>	259.150
(<r²>)^1/2	16.098

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

using model chemistry: B3LYP/SDD

States and conformations

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