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	hartrees
Energy at 0K	-1357.457588
Energy at 298.15K	-1357.461296
HF Energy	-1357.457588
Nuclear repulsion energy	623.126239

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	788	783	358.75
2	A₁	632	628	4.80
3	A₁	542	539	59.89
4	A₁	340	338	12.10
5	B₁	453	451	0.00
6	B₂	573	570	0.00
7	B₂	300	299	0.00
8	E	851	846	263.23
8	E	851	846	263.23
9	E	520	517	7.05
9	E	520	517	7.05
10	E	393	391	0.52
10	E	393	391	0.52
11	E	236	235	0.05
11	E	236	235	0.05

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.280
Cl2	0.000	0.000	1.864
F3	0.000	1.613	-0.285
F4	1.613	0.000	-0.285
F5	0.000	-1.613	-0.285
F6	-1.613	0.000	-0.285
F7	0.000	0.000	-1.883

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.1437	1.6125	1.6125	1.6125	1.6125	1.6032
Cl2	2.1437		2.6872	2.6872	2.6872	2.6872	3.7469
F3	1.6125	2.6872		2.2805	3.2251	2.2805	2.2697
F4	1.6125	2.6872	2.2805		2.2805	3.2251	2.2697
F5	1.6125	2.6872	3.2251	2.2805		2.2805	2.2697
F6	1.6125	2.6872	2.2805	3.2251	2.2805		2.2697
F7	1.6032	3.7469	2.2697	2.2697	2.2697	2.2697

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.209	Cl2	S1	F4	90.209
Cl2	S1	F5	90.209	Cl2	S1	F6	90.209
Cl2	S1	F7	180.000	F3	S1	F4	89.999
F3	S1	F5	179.582	F3	S1	F6	89.999
F3	S1	F7	89.791	F4	S1	F5	89.999
F4	S1	F6	179.582	F4	S1	F7	89.791
F5	S1	F6	89.999	F5	S1	F7	89.791
F6	S1	F7	89.791

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

using model chemistry: BLYP/6-31G(2df,p)

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	0.558
2	Cl	-0.170
3	F	-0.095
4	F	-0.095
5	F	-0.095
6	F	-0.095
7	F	-0.006

	x	y	z	Total
	0.000	0.000	-0.048	0.048
CHELPG
AIM
ESP

<r²>	219.423
(<r²>)^1/2	14.813

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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