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	hartrees
Energy at 0K	-304.940231
Energy at 298.15K	-304.942431
HF Energy	-304.940231
Nuclear repulsion energy	122.393014

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1371	1330	184.42
2	A₁	825	801	229.44
3	A₁	572	555	76.19
4	B₁	750	728	11.70
5	B₂	1872	1817	497.53
6	B₂	552	535	3.27

Atom	y (Å)	z (Å)
N1	0.000	-0.197
F2	0.000	1.288
O3	1.097	-0.638
O4	-1.097	-0.638

	N1	F2	O3	O4
N1		1.4855	1.1821	1.1821
F2	1.4855		2.2167	2.2167
O3	1.1821	2.2167		2.1937
O4	1.1821	2.2167	2.1937

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	N1	O3	111.894		F2	N1	O4	111.894
O3	N1	O4	136.213

All results from a given calculation for FNO₂ (Nitryl fluoride)

using model chemistry: B3LYPultrafine/aug-cc-pVDZ

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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Number	Element	Mulliken
1	N	1.078
2	F	-0.373
3	O	-0.353
4	O	-0.353

	x	y	z	Total
	0.000	0.000	-0.587	0.587
CHELPG
AIM
ESP

<r²>	54.399
(<r²>)^1/2	7.376

All results from a given calculation for FNO2 (Nitryl fluoride)

using model chemistry: B3LYPultrafine/aug-cc-pVDZ

States and conformations

All results from a given calculation for FNO₂ (Nitryl fluoride)