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	hartrees
Energy at 0K	-896.667279
Energy at 298.15K	-896.669863
HF Energy	-896.667279
Nuclear repulsion energy	399.491855

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	804	795	145.95
2	A₁	561	555	6.50
3	A₁	427	422	25.12
4	B₁	381	377	0.00
5	B₂	516	511	0.00
6	B₂	183	181	0.00
7	E	733	725	432.26
7	E	733	725	432.26
8	E	423	418	0.12
8	E	423	418	0.12
9	E	292	289	0.00
9	E	292	289	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.199
F2	0.000	0.000	-1.405
F3	0.000	1.677	0.263
F4	-1.677	0.000	0.263
F5	0.000	-1.677	0.263
F6	1.677	0.000	0.263

	S1	F2	F3	F4	F5	F6
S1		1.6036	1.6783	1.6783	1.6783	1.6783
F2	1.6036		2.3648	2.3648	2.3648	2.3648
F3	1.6783	2.3648		2.3717	3.3541	2.3717
F4	1.6783	2.3648	2.3717		2.3717	3.3541
F5	1.6783	2.3648	3.3541	2.3717		2.3717
F6	1.6783	2.3648	2.3717	3.3541	2.3717

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	S1	F3	92.174	F2	S1	F4	92.174
F2	S1	F5	92.174	F2	S1	F6	92.174
F3	S1	F4	89.918	F3	S1	F5	175.653
F3	S1	F6	89.918	F4	S1	F5	89.918
F4	S1	F6	175.653	F5	S1	F6	89.918

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

using model chemistry: PBEPBE/6-31+G**

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	1.979
2	F	-0.417
3	F	-0.391
4	F	-0.391
5	F	-0.391
6	F	-0.391

	x	y	z	Total
	0.000	0.000	0.334	0.334
CHELPG
AIM
ESP

<r²>	146.548
(<r²>)^1/2	12.106

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

using model chemistry: PBEPBE/6-31+G**

States and conformations

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