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	hartrees
Energy at 0K	-897.406581
Energy at 298.15K	-897.409402
HF Energy	-897.406581
Nuclear repulsion energy	404.874550

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	830	803	150.47
2	A₁	568	549	4.46
3	A₁	472	456	37.04
4	B₁	402	389	0.00
5	B₂	533	516	0.00
6	B₂	201	195	0.00
7	E	740	715	426.10
7	E	740	715	426.10
8	E	455	440	0.35
8	E	455	440	0.35
9	E	310	300	0.00
9	E	310	300	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.201
F2	0.000	0.000	-1.377
F3	0.000	1.657	0.255
F4	-1.657	0.000	0.255
F5	0.000	-1.657	0.255
F6	1.657	0.000	0.255

	S1	F2	F3	F4	F5	F6
S1		1.5781	1.6579	1.6579	1.6579	1.6579
F2	1.5781		2.3262	2.3262	2.3262	2.3262
F3	1.6579	2.3262		2.3434	3.3140	2.3434
F4	1.6579	2.3262	2.3434		2.3434	3.3140
F5	1.6579	2.3262	3.3140	2.3434		2.3434
F6	1.6579	2.3262	2.3434	3.3140	2.3434

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	S1	F3	91.883	F2	S1	F4	91.883
F2	S1	F5	91.883	F2	S1	F6	91.883
F3	S1	F4	89.938	F3	S1	F5	176.235
F3	S1	F6	89.938	F4	S1	F5	89.938
F4	S1	F6	176.235	F5	S1	F6	89.938

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

using model chemistry: B3LYP/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	1.450
2	F	-0.255
3	F	-0.299
4	F	-0.299
5	F	-0.299
6	F	-0.299

	x	y	z	Total
	0.000	0.000	0.496	0.496
CHELPG
AIM
ESP

<r²>	143.276
(<r²>)^1/2	11.970

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

using model chemistry: B3LYP/6-311G**

States and conformations

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