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	hartrees
Energy at 0K	-892.727085
Energy at 298.15K	-892.730185
HF Energy	-892.727085
Nuclear repulsion energy	410.626293

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	922	887	134.74
2	A₁	644	620	2.19
3	A₁	497	478	37.62
4	B₁	413	398	0.00
5	B₂	622	599	0.00
6	B₂	205	197	0.00
7	E	891	857	333.53
7	E	891	857	333.53
8	E	472	454	8.57
8	E	472	454	8.57
9	E	318	306	0.69
9	E	318	306	0.69

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.212
F2	0.000	0.000	-1.365
F3	0.000	1.631	0.247
F4	-1.631	0.000	0.247
F5	0.000	-1.631	0.247
F6	1.631	0.000	0.247

	S1	F2	F3	F4	F5	F6
S1		1.5771	1.6309	1.6309	1.6309	1.6309
F2	1.5771		2.2930	2.2930	2.2930	2.2930
F3	1.6309	2.2930		2.3059	3.2610	2.3059
F4	1.6309	2.2930	2.3059		2.3059	3.2610
F5	1.6309	2.2930	3.2610	2.3059		2.3059
F6	1.6309	2.2930	2.3059	3.2610	2.3059

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	S1	F3	91.234	F2	S1	F4	91.234
F2	S1	F5	91.234	F2	S1	F6	91.234
F3	S1	F4	89.973	F3	S1	F5	177.533
F3	S1	F6	89.973	F4	S1	F5	89.973
F4	S1	F6	177.533	F5	S1	F6	89.973

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

using model chemistry: B3LYP/3-21G*

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	1.442
2	F	-0.270
3	F	-0.293
4	F	-0.293
5	F	-0.293
6	F	-0.293

	x	y	z	Total
	0.000	0.000	0.576	0.576
CHELPG
AIM
ESP

<r²>	138.560
(<r²>)^1/2	11.771

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

using model chemistry: B3LYP/3-21G*

States and conformations

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