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	hartrees
Energy at 0K	-895.567650
Energy at 298.15K	-895.571017
HF Energy	-894.516914
Nuclear repulsion energy	412.166043

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	914	854	150.35
2	A₁	687	641	9.66
3	A₁	536	501	35.73
4	B₁	451	421	0.00
5	B₂	642	600	0.00
6	B₂	229	214	0.00
7	E	932	871	450.56
7	E	932	871	450.56
8	E	506	473	8.75
8	E	506	473	8.75
9	E	348	325	0.43
9	E	348	325	0.43

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.209
F2	0.000	0.000	-1.367
F3	0.000	1.622	0.249
F4	-1.622	0.000	0.249
F5	0.000	-1.622	0.249
F6	1.622	0.000	0.249

	S1	F2	F3	F4	F5	F6
S1		1.5765	1.6229	1.6229	1.6229	1.6229
F2	1.5765		2.2899	2.2899	2.2899	2.2899
F3	1.6229	2.2899		2.2945	3.2449	2.2945
F4	1.6229	2.2899	2.2945		2.2945	3.2449
F5	1.6229	2.2899	3.2449	2.2945		2.2945
F6	1.6229	2.2899	2.2945	3.2449	2.2945

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	S1	F3	91.393	F2	S1	F4	91.393
F2	S1	F5	91.393	F2	S1	F6	91.393
F3	S1	F4	89.966	F3	S1	F5	177.215
F3	S1	F6	89.966	F4	S1	F5	89.966
F4	S1	F6	177.215	F5	S1	F6	89.966

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

using model chemistry: MP2=FULL/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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All results from a given calculation for SF5 (Sulfur pentafluoride)

using model chemistry: MP2=FULL/6-31G**

States and conformations

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