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	hartrees
Energy at 0K	-47.743468
Energy at 298.15K	-47.743395
HF Energy	-47.497658
Nuclear repulsion energy	16.992071

Atom	x (Å)	y (Å)	z (Å)
F1	0.000	0.000	0.763
F2	0.000	0.000	-0.763

	F1	F2
F1		1.5255
F2	1.5255

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

using model chemistry: MP4=FULL/CEP-31G

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

using model chemistry: MP4=FULL/CEP-31G

States and conformations

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