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	hartrees
Energy at 0K	-349.805067
Energy at 298.15K	-349.806417
HF Energy	-349.805067
Nuclear repulsion energy	121.909358

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1400	1382	78.84
2	A	676	668	36.48
3	A	422	417	19.01
4	A	194	191	0.77
5	B	634	626	122.11
6	B	478	472	92.78

Atom	x (Å)	y (Å)	z (Å)
F1	0.518	1.501	-0.503
O2	0.518	0.287	0.566
O3	-0.518	-0.287	0.566
F4	-0.518	-1.501	-0.503

	F1	O2	O3	F4
F1		1.6180	2.3273	3.1765
O2	1.6180		1.1851	2.3273
O3	2.3273	1.1851		1.6180
F4	3.1765	2.3273	1.6180

Number	Element	Mulliken
1	F	-0.236
2	O	0.236
3	O	0.236
4	F	-0.236

All results from a given calculation for FOOF (Perfluoroperoxide)

using model chemistry: B97D3/6-311+G(3df,2p)

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
	0.000	0.000	1.854	1.854
CHELPG
AIM
ESP

	x	y	z
x	2.737	1.377	0.000
y	1.377	5.600	0.000
z	0.000	0.000	3.039

<r²>	73.764
(<r²>)^1/2	8.589