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	hartrees
Energy at 0K	-1356.883891
Energy at 298.15K	-1356.886464
HF Energy	-1356.883891
Nuclear repulsion energy	579.275466

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	777	744	235.31
2	A₁	583	558	0.04
3	A₁	432	414	87.25
4	A₁	295	282	0.18
5	B₁	318	305	0.00
6	B₂	564	540	0.00
7	B₂	221	211	0.00
8	E	849	814	210.30
8	E	849	814	210.30
9	E	374	358	18.82
9	E	374	358	18.82
10	E	280	268	3.07
10	E	280	268	3.07
11	E	170	163	0.04
11	E	170	163	0.04

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.284
Cl2	0.000	0.000	1.996
F3	0.000	1.741	-0.314
F4	1.741	0.000	-0.314
F5	0.000	-1.741	-0.314
F6	-1.741	0.000	-0.314
F7	0.000	0.000	-2.011

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.2798	1.7410	1.7410	1.7410	1.7410	1.7277
Cl2	2.2798		2.8923	2.8923	2.8923	2.8923	4.0076
F3	1.7410	2.8923		2.4617	3.4814	2.4617	2.4316
F4	1.7410	2.8923	2.4617		2.4617	3.4814	2.4316
F5	1.7410	2.8923	3.4814	2.4617		2.4617	2.4316
F6	1.7410	2.8923	2.4617	3.4814	2.4617		2.4316
F7	1.7277	4.0076	2.4316	2.4316	2.4316	2.4316

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.986	Cl2	S1	F4	90.986
Cl2	S1	F5	90.986	Cl2	S1	F6	90.986
Cl2	S1	F7	180.000	F3	S1	F4	89.983
F3	S1	F5	178.027	F3	S1	F6	89.983
F3	S1	F7	89.014	F4	S1	F5	89.983
F4	S1	F6	178.027	F4	S1	F7	89.014
F5	S1	F6	89.983	F5	S1	F7	89.014
F6	S1	F7	89.014

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

using model chemistry: B3PW91/6-31G

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	1.532
2	Cl	0.019
3	F	-0.311
4	F	-0.311
5	F	-0.311
6	F	-0.311
7	F	-0.306

	x	y	z	Total
	0.000	0.000	1.111	1.111
CHELPG
AIM
ESP

<r²>	250.917
(<r²>)^1/2	15.840

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

using model chemistry: B3PW91/6-31G

States and conformations

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