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	hartrees
Energy at 0K	-304.637259
Energy at 298.15K	-304.639440
HF Energy	-304.637259
Nuclear repulsion energy	121.775193

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1349	1335	159.07
2	A₁	826	817	175.39
3	A₁	570	564	40.90
4	B₁	739	731	8.69
5	B₂	1852	1833	350.63
6	B₂	544	539	3.51

Atom	y (Å)	z (Å)
N1	0.000	-0.193
F2	0.000	1.291
O3	1.104	-0.642
O4	-1.104	-0.642

	N1	F2	O3	O4
N1		1.4846	1.1914	1.1914
F2	1.4846		2.2261	2.2261
O3	1.1914	2.2261		2.2074
O4	1.1914	2.2261	2.2074

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	N1	O3	112.121		F2	N1	O4	112.121
O3	N1	O4	135.757

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

using model chemistry: PBEPBE/6-31G(2df,p)

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	0.695
2	F	-0.179
3	O	-0.258
4	O	-0.258

	x	y	z	Total
	0.000	0.000	-0.326	0.326
CHELPG
AIM
ESP

<r²>	54.178
(<r²>)^1/2	7.361

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

using model chemistry: PBEPBE/6-31G(2df,p)

States and conformations

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