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	hartrees
Energy at 0K	-896.789839
Energy at 298.15K	-896.792401
HF Energy	-896.789839
Nuclear repulsion energy	399.482657

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	787	780	138.57
2	A₁	547	542	4.50
3	A₁	427	423	26.57
4	B₁	378	374	0.00
5	B₂	508	504	0.00
6	B₂	184	182	0.00
7	E	713	706	375.78
7	E	713	706	375.78
8	E	423	419	0.25
8	E	423	419	0.25
9	E	292	289	0.00
9	E	292	289	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.199
F2	0.000	0.000	-1.399
F3	0.000	1.679	0.262
F4	-1.679	0.000	0.262
F5	0.000	-1.679	0.262
F6	1.679	0.000	0.262

	S1	F2	F3	F4	F5	F6
S1		1.5979	1.6799	1.6799	1.6799	1.6799
F2	1.5979		2.3615	2.3615	2.3615	2.3615
F3	1.6799	2.3615		2.3741	3.3575	2.3741
F4	1.6799	2.3615	2.3741		2.3741	3.3575
F5	1.6799	2.3615	3.3575	2.3741		2.3741
F6	1.6799	2.3615	2.3741	3.3575	2.3741

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	S1	F3	92.147	F2	S1	F4	92.147
F2	S1	F5	92.147	F2	S1	F6	92.147
F3	S1	F4	89.920	F3	S1	F5	175.707
F3	S1	F6	89.920	F4	S1	F5	89.920
F4	S1	F6	175.707	F5	S1	F6	89.920

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

using model chemistry: PBEPBE/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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Number	Element	Mulliken
1	S	1.297
2	F	-0.227
3	F	-0.267
4	F	-0.267
5	F	-0.267
6	F	-0.267

	x	y	z	Total
	0.000	0.000	0.399	0.399
CHELPG
AIM
ESP

<r²>	146.441
(<r²>)^1/2	12.101

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

using model chemistry: PBEPBE/6-311G**

States and conformations

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