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	hartrees
Energy at 0K	-1357.446962
Energy at 298.15K	-1357.450848
HF Energy	-1357.446962
Nuclear repulsion energy	626.621627

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	854	818	389.45
2	A₁	683	654	2.80
3	A₁	562	538	94.31
4	A₁	369	353	5.44
5	B₁	458	439	0.00
6	B₂	633	607	0.00
7	B₂	308	295	0.00
8	E	932	893	321.97
8	E	932	893	321.97
9	E	526	504	15.43
9	E	526	504	15.43
10	E	401	384	1.58
10	E	401	384	1.58
11	E	241	231	0.10
11	E	241	231	0.10

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.264
Cl2	0.000	0.000	1.838
F3	0.000	1.610	-0.284
F4	1.610	0.000	-0.284
F5	0.000	-1.610	-0.284
F6	-1.610	0.000	-0.284
F7	0.000	0.000	-1.867

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.1019	1.6102	1.6102	1.6102	1.6102	1.6029
Cl2	2.1019		2.6631	2.6631	2.6631	2.6631	3.7048
F3	1.6102	2.6631		2.2770	3.2201	2.2770	2.2583
F4	1.6102	2.6631	2.2770		2.2770	3.2201	2.2583
F5	1.6102	2.6631	3.2201	2.2770		2.2770	2.2583
F6	1.6102	2.6631	2.2770	3.2201	2.2770		2.2583
F7	1.6029	3.7048	2.2583	2.2583	2.2583	2.2583

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.688	Cl2	S1	F4	90.688
Cl2	S1	F5	90.688	Cl2	S1	F6	90.688
Cl2	S1	F7	180.000	F3	S1	F4	89.992
F3	S1	F5	178.624	F3	S1	F6	89.992
F3	S1	F7	89.312	F4	S1	F5	89.992
F4	S1	F6	178.624	F4	S1	F7	89.312
F5	S1	F6	89.992	F5	S1	F7	89.312
F6	S1	F7	89.312

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

using model chemistry: B3LYPultrafine/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	1.485
2	Cl	-0.067
3	F	-0.286
4	F	-0.286
5	F	-0.286
6	F	-0.286
7	F	-0.276

	x	y	z	Total
	0.000	0.000	0.322	0.322
CHELPG
AIM
ESP

<r²>	217.117
(<r²>)^1/2	14.735

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

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

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