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	hartrees
Energy at 0K	-892.515678
Energy at 298.15K	-892.518866
HF Energy	-892.515678
Nuclear repulsion energy	412.508876

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	939	901	141.32
2	A₁	661	634	2.60
3	A₁	508	488	39.24
4	B₁	421	404	0.00
5	B₂	638	612	0.00
6	B₂	210	202	0.00
7	E	918	881	350.64
7	E	918	881	350.64
8	E	481	462	9.80
8	E	481	462	9.80
9	E	325	311	0.74
9	E	325	311	0.74

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.211
F2	0.000	0.000	-1.361
F3	0.000	1.622	0.246
F4	-1.622	0.000	0.246
F5	0.000	-1.622	0.246
F6	1.622	0.000	0.246

	S1	F2	F3	F4	F5	F6
S1		1.5721	1.6229	1.6229	1.6229	1.6229
F2	1.5721		2.2838	2.2838	2.2838	2.2838
F3	1.6229	2.2838		2.2945	3.2449	2.2945
F4	1.6229	2.2838	2.2945		2.2945	3.2449
F5	1.6229	2.2838	3.2449	2.2945		2.2945
F6	1.6229	2.2838	2.2945	3.2449	2.2945

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	S1	F3	91.239	F2	S1	F4	91.239
F2	S1	F5	91.239	F2	S1	F6	91.239
F3	S1	F4	89.973	F3	S1	F5	177.521
F3	S1	F6	89.973	F4	S1	F5	89.973
F4	S1	F6	177.521	F5	S1	F6	89.973

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

using model chemistry: B3PW91/3-21G*

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	1.459
2	F	-0.273
3	F	-0.296
4	F	-0.296
5	F	-0.296
6	F	-0.296

	x	y	z	Total
	0.000	0.000	0.588	0.588
CHELPG
AIM
ESP

<r²>	137.476
(<r²>)^1/2	11.725

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

using model chemistry: B3PW91/3-21G*

States and conformations

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