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	hartrees
Energy at 0K	-304.687780
Energy at 298.15K	-304.689330
HF Energy	-304.687780
Nuclear repulsion energy	112.631283

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1773	1753	239.87
2	A'	1212	1199	89.90
3	A'	716	708	26.89
4	A'	459	454	153.89
5	A'	176	174	8.62
6	A"	543	536	0.42

Atom	x (Å)	y (Å)
F1	1.625	0.203
O2	0.000	0.845
N3	-0.912	0.056
O4	-1.029	-1.122

	F1	O2	N3	O4
F1		1.7467	2.5411	2.9666
O2	1.7467		1.2056	2.2200
N3	2.5411	1.2056		1.1844
O4	2.9666	2.2200	1.1844

Number	Element	Mulliken
1	F	-0.300
2	O	0.136
3	N	0.184
4	O	-0.019

All results from a given calculation for FONO (Nitrosyl hypofluorite)

using model chemistry: PBEPBEultrafine/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
x	5.819	1.008	0.000
y	1.008	3.463	0.000
z	0.000	0.000	1.417

<r²>	67.685
(<r²>)^1/2	8.227