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	hartrees
Energy at 0K	-249.086742
Energy at 298.15K	-249.086119
HF Energy	-249.086742
Nuclear repulsion energy	48.847075

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1960	1780	0.02
2	A'	17	15	0.00
3	A'	11	10	0.00

Atom	x (Å)	y (Å)
O1	0.968	1.643
O2	0.000	1.002
F3	-0.860	-2.351

	O1	O2	F3
O1		1.1611	4.3933
O2	1.1611		3.4621
F3	4.3933	3.4621

Number	Element	Mulliken
1	O	0.003
2	O	-0.003
3	F	-0.000

All results from a given calculation for FOO (Dioxygen monofluoride radical)

using model chemistry: HF/TZVP

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
You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	0.018	0.019	0.000	0.026
CHELPG
AIM
ESP

	x	y	z
x	2.022	0.800	0.000
y	0.800	1.426	0.000
z	0.000	0.000	0.843

<r²>	102.728
(<r²>)^1/2	10.136