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	hartrees
Energy at 0K	-304.826261
Energy at 298.15K	-304.828567
HF Energy	-304.826261
Nuclear repulsion energy	124.790900

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1423	1363	175.19
2	A₁	889	851	220.84
3	A₁	642	615	29.03
4	B₁	804	770	13.89
5	B₂	1930	1849	466.42
6	B₂	603	577	3.40

Atom	y (Å)	z (Å)
N1	0.000	-0.174
F2	0.000	1.245
O3	1.085	-0.624
O4	-1.085	-0.624

	N1	F2	O3	O4
N1		1.4187	1.1751	1.1751
F2	1.4187		2.1617	2.1617
O3	1.1751	2.1617		2.1703
O4	1.1751	2.1617	2.1703

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	N1	O3	112.566		F2	N1	O4	112.566
O3	N1	O4	134.868

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

using model chemistry: B1B95/6-31G(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	0.841
2	F	-0.198
3	O	-0.321
4	O	-0.321

	x	y	z	Total
	0.000	0.000	0.013	0.013
CHELPG
AIM
ESP

<r²>	52.090
(<r²>)^1/2	7.217

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

using model chemistry: B1B95/6-31G(2df,p)

States and conformations

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