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	hartrees
Energy at 0K	-199.369139
Energy at 298.15K	-199.369129
HF Energy	-199.369139
Nuclear repulsion energy	28.993455

Atom	x (Å)	y (Å)	z (Å)
F1	0.000	0.000	0.739
F2	0.000	0.000	-0.739

	F1	F2
F1		1.4784
F2	1.4784

Number	Element	Mulliken	CHELPG	AIM	ESP
1	F	0.000
2	F	0.000

	x	y	z	Total
	0.000	0.000	0.000	0.000
CHELPG
AIM
ESP

All results from a given calculation for F₂ (Fluorine diatomic)

using model chemistry: PBEPBEultrafine/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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<r²>	15.642
(<r²>)^1/2	3.955

All results from a given calculation for F2 (Fluorine diatomic)

using model chemistry: PBEPBEultrafine/SDD

States and conformations

All results from a given calculation for F₂ (Fluorine diatomic)