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	hartrees
Energy at 0K	-304.792635
Energy at 298.15K	-304.794917
HF Energy	-304.792635
Nuclear repulsion energy	124.077243

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1405	1351	172.97
2	A₁	876	842	211.28
3	A₁	626	602	34.26
4	B₁	790	760	12.73
5	B₂	1910	1836	441.55
6	B₂	593	570	3.38

Atom	y (Å)	z (Å)
N1	0.000	-0.178
F2	0.000	1.256
O3	1.089	-0.629
O4	-1.089	-0.629

	N1	F2	O3	O4
N1		1.4336	1.1790	1.1790
F2	1.4336		2.1769	2.1769
O3	1.1790	2.1769		2.1784
O4	1.1790	2.1769	2.1784

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	N1	O3	112.504		F2	N1	O4	112.504
O3	N1	O4	134.993

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

using model chemistry: B3PW91/6-31G(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	0.836
2	F	-0.200
3	O	-0.318
4	O	-0.318

	x	y	z	Total
	0.000	0.000	-0.054	0.054
CHELPG
AIM
ESP

<r²>	52.580
(<r²>)^1/2	7.251

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

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

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