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	hartrees
Energy at 0K	-1357.084862
Energy at 298.15K	-1357.089031
HF Energy	-1357.084862
Nuclear repulsion energy	635.906262

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	847	815	424.04
2	A₁	697	671	15.95
3	A₁	587	565	79.33
4	A₁	395	380	4.24
5	B₁	485	467	0.00
6	B₂	623	599	0.00
7	B₂	326	314	0.00
8	E	909	874	332.78
8	E	909	874	332.78
9	E	561	539	13.51
9	E	561	539	13.51
10	E	426	409	0.71
10	E	426	409	0.71
11	E	259	249	0.00
11	E	259	249	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.259
Cl2	0.000	0.000	1.808
F3	0.000	1.587	-0.279
F4	1.587	0.000	-0.279
F5	0.000	-1.587	-0.279
F6	-1.587	0.000	-0.279
F7	0.000	0.000	-1.840

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0673	1.5875	1.5875	1.5875	1.5875	1.5813
Cl2	2.0673		2.6220	2.6220	2.6220	2.6220	3.6486
F3	1.5875	2.6220		2.2448	3.1747	2.2448	2.2267
F4	1.5875	2.6220	2.2448		2.2448	3.1747	2.2267
F5	1.5875	2.6220	3.1747	2.2448		2.2448	2.2267
F6	1.5875	2.6220	2.2448	3.1747	2.2448		2.2267
F7	1.5813	3.6486	2.2267	2.2267	2.2267	2.2267

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.708	Cl2	S1	F4	90.708
Cl2	S1	F5	90.708	Cl2	S1	F6	90.708
Cl2	S1	F7	180.000	F3	S1	F4	89.991
F3	S1	F5	178.584	F3	S1	F6	89.991
F3	S1	F7	89.292	F4	S1	F5	89.991
F4	S1	F6	178.584	F4	S1	F7	89.292
F5	S1	F6	89.991	F5	S1	F7	89.292
F6	S1	F7	89.292

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

using model chemistry: HSEh1PBE/aug-cc-pVTZ

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	S	2.429
2	Cl	-0.243
3	F	-0.433
4	F	-0.433
5	F	-0.433
6	F	-0.433
7	F	-0.453

	x	y	z	Total
	0.000	0.000	0.529	0.529
CHELPG
AIM
ESP

<r²>	211.921
(<r²>)^1/2	14.557

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

using model chemistry: HSEh1PBE/aug-cc-pVTZ

States and conformations

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