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	hartrees
Energy at 0K	-304.704585
Energy at 298.15K	-304.706880
HF Energy	-304.704585
Nuclear repulsion energy	124.471301

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1413	1358	192.99
2	A₁	875	841	251.51
3	A₁	627	603	55.26
4	B₁	798	767	14.48
5	B₂	1929	1853	537.31
6	B₂	599	575	3.77

Atom	y (Å)	z (Å)
N1	0.000	-0.183
F2	0.000	1.257
O3	1.084	-0.627
O4	-1.084	-0.627

	N1	F2	O3	O4
N1		1.4396	1.1710	1.1710
F2	1.4396		2.1728	2.1728
O3	1.1710	2.1728		2.1673
O4	1.1710	2.1728	2.1673

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	N1	O3	112.265		F2	N1	O4	112.265
O3	N1	O4	135.469

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

using model chemistry: PBE1PBE/cc-pVTZ

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	0.497
2	F	-0.176
3	O	-0.161
4	O	-0.161

	x	y	z	Total
	0.000	0.000	-0.258	0.258
CHELPG
AIM
ESP

<r²>	52.647
(<r²>)^1/2	7.256

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

using model chemistry: PBE1PBE/cc-pVTZ

States and conformations

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