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	hartrees
Energy at 0K	-897.175990
Energy at 298.15K	-897.177302
HF Energy	-897.175990
Nuclear repulsion energy	370.518378

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	717	689	86.58
2	A₁	485	466	2.48
3	A₁	267	257	31.98
4	B₁	282	271	0.00
5	B₂	458	440	0.00
6	B₂	98	94	0.00
7	E	583	560	224.09
7	E	583	560	224.09
8	E	291	280	0.32
8	E	291	280	0.32
9	E	197	190	0.16
9	E	197	190	0.16

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.197
F2	0.000	0.000	-1.509
F3	0.000	1.811	0.290
F4	-1.811	0.000	0.290
F5	0.000	-1.811	0.290
F6	1.811	0.000	0.290

	S1	F2	F3	F4	F5	F6
S1		1.7061	1.8134	1.8134	1.8134	1.8134
F2	1.7061		2.5528	2.5528	2.5528	2.5528
F3	1.8134	2.5528		2.5612	3.6221	2.5612
F4	1.8134	2.5528	2.5612		2.5612	3.6221
F5	1.8134	2.5528	3.6221	2.5612		2.5612
F6	1.8134	2.5528	2.5612	3.6221	2.5612

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	S1	F3	92.941	F2	S1	F4	92.941
F2	S1	F5	92.941	F2	S1	F6	92.941
F3	S1	F4	89.849	F3	S1	F5	174.118
F3	S1	F6	89.849	F4	S1	F5	89.849
F4	S1	F6	174.118	F5	S1	F6	89.849

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

using model chemistry: B3LYP/SDD

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	1.599
2	F	-0.295
3	F	-0.326
4	F	-0.326
5	F	-0.326
6	F	-0.326

	x	y	z	Total
	0.000	0.000	0.777	0.777
CHELPG
AIM
ESP

<r²>	168.009
(<r²>)^1/2	12.962

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

using model chemistry: B3LYP/SDD

States and conformations

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