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	hartrees
Energy at 0K	-896.620734
Energy at 298.15K	-896.623503
HF Energy	-896.620734
Nuclear repulsion energy	403.234308

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	843	829	120.85
2	A₁	600	590	4.56
3	A₁	447	439	21.40
4	B₁	393	387	0.00
5	B₂	566	556	0.00
6	B₂	189	186	0.00
7	E	805	791	342.77
7	E	805	791	342.77
8	E	438	430	1.86
8	E	438	430	1.86
9	E	301	296	0.07
9	E	301	296	0.07

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.207
F2	0.000	0.000	-1.390
F3	0.000	1.661	0.255
F4	-1.661	0.000	0.255
F5	0.000	-1.661	0.255
F6	1.661	0.000	0.255

	S1	F2	F3	F4	F5	F6
S1		1.5977	1.6618	1.6618	1.6618	1.6618
F2	1.5977		2.3383	2.3383	2.3383	2.3383
F3	1.6618	2.3383		2.3491	3.3221	2.3491
F4	1.6618	2.3383	2.3491		2.3491	3.3221
F5	1.6618	2.3383	3.3221	2.3491		2.3491
F6	1.6618	2.3383	2.3491	3.3221	2.3491

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	S1	F3	91.656	F2	S1	F4	91.656
F2	S1	F5	91.656	F2	S1	F6	91.656
F3	S1	F4	89.952	F3	S1	F5	176.687
F3	S1	F6	89.952	F4	S1	F5	89.952
F4	S1	F6	176.687	F5	S1	F6	89.952

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

using model chemistry: PBEPBEultrafine/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	1.365
2	F	-0.246
3	F	-0.280
4	F	-0.280
5	F	-0.280
6	F	-0.280

	x	y	z	Total
	0.000	0.000	0.330	0.330
CHELPG
AIM
ESP

<r²>	142.899
(<r²>)^1/2	11.954

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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