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	hartrees
Energy at 0K	-245.305054
Energy at 298.15K	-245.305400
Nuclear repulsion energy	62.016136

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1553	1391	14.12
2	A'	565	506	1.14
3	A'	217	194	0.26

Atom	x (Å)	y (Å)
O1	1.272	0.305
O2	0.000	0.577
F3	-1.131	-0.783

	O1	O2	F3
O1		1.3010	2.6380
O2	1.3010		1.7687
F3	2.6380	1.7687

Number	Element	Mulliken
1	O	-0.014
2	O	0.037
3	F	-0.023

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

using model chemistry: LSDA/STO-3G

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
	0.027	0.113	0.000	0.116
CHELPG
AIM
ESP

	x	y	z
x	2.416	0.942	0.000
y	0.942	0.981	0.000
z	0.000	0.000	0.283

<r²>	0.000
(<r²>)^1/2	0.000