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	hartrees
Energy at 0K	-896.421425
Energy at 298.15K	-896.422691
HF Energy	-896.421425
Nuclear repulsion energy	368.808133

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	717	707	75.18
2	A₁	513	505	1.98
3	A₁	219	216	18.49
4	B₁	264	260	0.00
5	B₂	481	474	0.00
6	B₂	77	76	0.00
7	E	680	670	178.68
7	E	680	670	178.68
8	E	271	267	3.29
8	E	271	267	3.29
9	E	189	186	0.55
9	E	189	186	0.55

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.191
F2	0.000	0.000	-1.550
F3	0.000	1.809	0.303
F4	-1.809	0.000	0.303
F5	0.000	-1.809	0.303
F6	1.809	0.000	0.303

	S1	F2	F3	F4	F5	F6
S1		1.7412	1.8128	1.8128	1.8128	1.8128
F2	1.7412		2.5899	2.5899	2.5899	2.5899
F3	1.8128	2.5899		2.5587	3.6186	2.5587
F4	1.8128	2.5899	2.5587		2.5587	3.6186
F5	1.8128	2.5899	3.6186	2.5587		2.5587
F6	1.8128	2.5899	2.5587	3.6186	2.5587

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	S1	F3	93.538	F2	S1	F4	93.538
F2	S1	F5	93.538	F2	S1	F6	93.538
F3	S1	F4	89.782	F3	S1	F5	172.925
F3	S1	F6	89.782	F4	S1	F5	89.782
F4	S1	F6	172.925	F5	S1	F6	89.782

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

using model chemistry: PBEPBE/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	1.384
2	F	-0.260
3	F	-0.281
4	F	-0.281
5	F	-0.281
6	F	-0.281

	x	y	z	Total
	0.000	0.000	0.628	0.628
CHELPG
AIM
ESP

<r²>	168.059
(<r²>)^1/2	12.964

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

using model chemistry: PBEPBE/6-31G

States and conformations

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