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	hartrees
Energy at 0K	-1356.690198
Energy at 298.15K	-1356.693893
HF Energy	-1356.690198
Nuclear repulsion energy	616.025059

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	818	814	389.88
2	A₁	644	641	1.29
3	A₁	535	532	77.92
4	A₁	356	354	6.25
5	B₁	429	427	0.00
6	B₂	603	600	0.00
7	B₂	294	292	0.00
8	E	892	887	320.10
8	E	892	887	320.10
9	E	498	495	13.90
9	E	498	495	13.90
10	E	380	378	0.94
10	E	380	378	0.94
11	E	233	232	0.05
11	E	233	232	0.05

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.265
Cl2	0.000	0.000	1.854
F3	0.000	1.643	-0.283
F4	1.643	0.000	-0.283
F5	0.000	-1.643	-0.283
F6	-1.643	0.000	-0.283
F7	0.000	0.000	-1.901

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.1196	1.6427	1.6427	1.6427	1.6427	1.6357
Cl2	2.1196		2.6953	2.6953	2.6953	2.6953	3.7552
F3	1.6427	2.6953		2.3230	3.2852	2.3230	2.3059
F4	1.6427	2.6953	2.3230		2.3230	3.2852	2.3059
F5	1.6427	2.6953	3.2852	2.3230		2.3230	2.3059
F6	1.6427	2.6953	2.3230	3.2852	2.3230		2.3059
F7	1.6357	3.7552	2.3059	2.3059	2.3059	2.3059

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.605	Cl2	S1	F4	90.605
Cl2	S1	F5	90.605	Cl2	S1	F6	90.605
Cl2	S1	F7	180.000	F3	S1	F4	89.994
F3	S1	F5	178.791	F3	S1	F6	89.994
F3	S1	F7	89.395	F4	S1	F5	89.994
F4	S1	F6	178.791	F4	S1	F7	89.395
F5	S1	F6	89.994	F5	S1	F7	89.395
F6	S1	F7	89.395

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

using model chemistry: PBEPBEultrafine/cc-pVDZ

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	1.138
2	Cl	-0.069
3	F	-0.213
4	F	-0.213
5	F	-0.213
6	F	-0.213
7	F	-0.217

	x	y	z	Total
	0.000	0.000	0.466	0.466
CHELPG
AIM
ESP

<r²>	223.209
(<r²>)^1/2	14.940

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

using model chemistry: PBEPBEultrafine/cc-pVDZ

States and conformations

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