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	hartrees
Energy at 0K	-1357.201638
Energy at 298.15K	-1357.205565
HF Energy	-1357.201638
Nuclear repulsion energy	628.091858

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	832	798	434.41
2	A₁	672	645	9.77
3	A₁	563	541	89.21
4	A₁	380	365	2.90
5	B₁	460	442	0.00
6	B₂	612	587	0.00
7	B₂	311	298	0.00
8	E	903	867	378.21
8	E	903	867	378.21
9	E	531	509	15.74
9	E	531	509	15.74
10	E	406	390	0.96
10	E	406	390	0.96
11	E	246	236	0.00
11	E	246	236	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-0.257
Cl2	0.000	0.000	1.827
F3	0.000	1.609	-0.283
F4	1.609	0.000	-0.283
F5	0.000	-1.609	-0.283
F6	-1.609	0.000	-0.283
F7	0.000	0.000	-1.861

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0835	1.6092	1.6092	1.6092	1.6092	1.6040
Cl2	2.0835		2.6533	2.6533	2.6533	2.6533	3.6875
F3	1.6092	2.6533		2.2755	3.2180	2.2755	2.2535
F4	1.6092	2.6533	2.2755		2.2755	3.2180	2.2535
F5	1.6092	2.6533	3.2180	2.2755		2.2755	2.2535
F6	1.6092	2.6533	2.2755	3.2180	2.2755		2.2535
F7	1.6040	3.6875	2.2535	2.2535	2.2535	2.2535

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	S1	F3	90.936	Cl2	S1	F4	90.936
Cl2	S1	F5	90.936	Cl2	S1	F6	90.936
Cl2	S1	F7	180.000	F3	S1	F4	89.985
F3	S1	F5	178.127	F3	S1	F6	89.985
F3	S1	F7	89.064	F4	S1	F5	89.985
F4	S1	F6	178.127	F4	S1	F7	89.064
F5	S1	F6	89.985	F5	S1	F7	89.064
F6	S1	F7	89.064

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

using model chemistry: B3PW91/6-31+G**

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	1.926
2	Cl	0.125
3	F	-0.384
4	F	-0.384
5	F	-0.384
6	F	-0.384
7	F	-0.516

	x	y	z	Total
	0.000	0.000	0.807	0.807
CHELPG
AIM
ESP

<r²>	216.656
(<r²>)^1/2	14.719

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

using model chemistry: B3PW91/6-31+G**

States and conformations

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