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	hartrees
Energy at 0K	-895.832736
Energy at 298.15K	-895.836016
HF Energy	-894.644073
Nuclear repulsion energy	412.530050

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	872	828	173.12
2	A₁	634	603	12.73
3	A₁	540	513	42.74
4	B₁	451	428	0.00
5	B₂	585	556	0.00
6	B₂	230	219	0.00
7	E	851	809	512.40
7	E	851	809	512.40
8	E	511	486	6.71
8	E	511	486	6.71
9	E	349	332	0.31
9	E	349	332	0.31

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.196
F2	0.000	0.000	-1.376
F3	0.000	1.621	0.257
F4	-1.621	0.000	0.257
F5	0.000	-1.621	0.257
F6	1.621	0.000	0.257

	S1	F2	F3	F4	F5	F6
S1		1.5720	1.6223	1.6223	1.6223	1.6223
F2	1.5720		2.3005	2.3005	2.3005	2.3005
F3	1.6223	2.3005		2.2927	3.2424	2.2927
F4	1.6223	2.3005	2.2927		2.2927	3.2424
F5	1.6223	2.3005	3.2424	2.2927		2.2927
F6	1.6223	2.3005	2.2927	3.2424	2.2927

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	S1	F3	92.126	F2	S1	F4	92.126
F2	S1	F5	92.126	F2	S1	F6	92.126
F3	S1	F4	89.921	F3	S1	F5	175.748
F3	S1	F6	89.921	F4	S1	F5	89.921
F4	S1	F6	175.748	F5	S1	F6	89.921

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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