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	hartrees
Energy at 0K	-895.568536
Energy at 298.15K	-895.571880
HF Energy	-894.517626
Nuclear repulsion energy	412.888684

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	928	881	149.88
2	A₁	673	639	6.76
3	A₁	540	513	38.28
4	B₁	451	428	0.00
5	B₂	641	609	0.00
6	B₂	230	218	0.00
7	E	913	867	425.76
7	E	913	867	425.76
8	E	508	482	7.57
8	E	508	482	7.57
9	E	348	330	0.35
9	E	348	330	0.35

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.210
F2	0.000	0.000	-1.361
F3	0.000	1.621	0.247
F4	-1.621	0.000	0.247
F5	0.000	-1.621	0.247
F6	1.621	0.000	0.247

	S1	F2	F3	F4	F5	F6
S1		1.5712	1.6210	1.6210	1.6210	1.6210
F2	1.5712		2.2831	2.2831	2.2831	2.2831
F3	1.6210	2.2831		2.2919	3.2412	2.2919
F4	1.6210	2.2831	2.2919		2.2919	3.2412
F5	1.6210	2.2831	3.2412	2.2919		2.2919
F6	1.6210	2.2831	2.2919	3.2412	2.2919

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	S1	F3	91.305	F2	S1	F4	91.305
F2	S1	F5	91.305	F2	S1	F6	91.305
F3	S1	F4	89.970	F3	S1	F5	177.390
F3	S1	F6	89.970	F4	S1	F5	89.970
F4	S1	F6	177.390	F5	S1	F6	89.970

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

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

States and conformations

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