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	hartrees
Energy at 0K	-896.635026
Energy at 298.15K	-896.638215
HF Energy	-896.635026
Nuclear repulsion energy	412.045816

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	910	865	139.79
2	A₁	652	620	6.52
3	A₁	514	488	30.83
4	B₁	432	411	0.00
5	B₂	619	589	0.00
6	B₂	219	208	0.00
7	E	881	837	407.54
7	E	881	837	407.54
8	E	488	464	4.51
8	E	488	464	4.51
9	E	333	317	0.16
9	E	333	317	0.16

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.209
F2	0.000	0.000	-1.361
F3	0.000	1.625	0.247
F4	-1.625	0.000	0.247
F5	0.000	-1.625	0.247
F6	1.625	0.000	0.247

	S1	F2	F3	F4	F5	F6
S1		1.5702	1.6254	1.6254	1.6254	1.6254
F2	1.5702		2.2860	2.2860	2.2860	2.2860
F3	1.6254	2.2860		2.2980	3.2499	2.2980
F4	1.6254	2.2860	2.2980		2.2980	3.2499
F5	1.6254	2.2860	3.2499	2.2980		2.2980
F6	1.6254	2.2860	2.2980	3.2499	2.2980

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	S1	F3	91.326	F2	S1	F4	91.326
F2	S1	F5	91.326	F2	S1	F6	91.326
F3	S1	F4	89.969	F3	S1	F5	177.348
F3	S1	F6	89.969	F4	S1	F5	89.969
F4	S1	F6	177.348	F5	S1	F6	89.969

All results from a given calculation for SF₅ (Sulfur pentafluoride)

using model chemistry: PBE1PBE/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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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	1.513
2	F	-0.272
3	F	-0.310
4	F	-0.310
5	F	-0.310
6	F	-0.310

	x	y	z	Total
	0.000	0.000	0.431	0.431
CHELPG
AIM
ESP

<r²>	137.804
(<r²>)^1/2	11.739

All results from a given calculation for SF5 (Sulfur pentafluoride)

using model chemistry: PBE1PBE/6-31G*

States and conformations

All results from a given calculation for SF₅ (Sulfur pentafluoride)