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	hartrees
Energy at 0K	-885.420284
Energy at 298.15K	-885.422052
HF Energy	-885.420284
Nuclear repulsion energy	383.307133

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	789	697	25.52
2	A₁	587	518	9.91
3	A₁	376	332	18.44
4	B₁	298	263	0.00
5	B₂	555	491	0.00
6	B₂	163	144	0.00
7	E	817	721	119.19
7	E	817	721	119.19
8	E	363	321	6.16
8	E	363	321	6.16
9	E	208	184	0.39
9	E	208	184	0.39

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.306
F2	0.000	0.000	-1.419
F3	0.000	1.751	0.219
F4	-1.751	0.000	0.219
F5	0.000	-1.751	0.219
F6	1.751	0.000	0.219

	S1	F2	F3	F4	F5	F6
S1		1.7254	1.7528	1.7528	1.7528	1.7528
F2	1.7254		2.3976	2.3976	2.3976	2.3976
F3	1.7528	2.3976		2.4758	3.5013	2.4758
F4	1.7528	2.3976	2.4758		2.4758	3.5013
F5	1.7528	2.3976	3.5013	2.4758		2.4758
F6	1.7528	2.3976	2.4758	3.5013	2.4758

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	S1	F3	87.150	F2	S1	F4	87.150
F2	S1	F5	87.150	F2	S1	F6	87.150
F3	S1	F4	89.858	F3	S1	F5	174.299
F3	S1	F6	89.858	F4	S1	F5	89.858
F4	S1	F6	174.299	F5	S1	F6	89.858

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

using model chemistry: B1B95/STO-3G

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	0.845
2	F	-0.154
3	F	-0.173
4	F	-0.173
5	F	-0.173
6	F	-0.173

	x	y	z	Total
	0.000	0.000	0.789	0.789
CHELPG
AIM
ESP

<r²>	152.303
(<r²>)^1/2	12.341

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

using model chemistry: B1B95/STO-3G

States and conformations

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