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	hartrees
Energy at 0K	-304.769332
Energy at 298.15K	-304.771593
HF Energy	-304.769332
Nuclear repulsion energy	123.353686

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1417	1359	191.78
2	A₁	879	843	223.65
3	A₁	620	594	27.31
4	B₁	770	738	15.12
5	B₂	1922	1842	444.29
6	B₂	580	556	3.80

Atom	y (Å)	z (Å)
N1	0.000	-0.179
F2	0.000	1.265
O3	1.094	-0.634
O4	-1.094	-0.634

	N1	F2	O3	O4
N1		1.4441	1.1849	1.1849
F2	1.4441		2.1917	2.1917
O3	1.1849	2.1917		2.1879
O4	1.1849	2.1917	2.1879

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	N1	O3	112.587		F2	N1	O4	112.587
O3	N1	O4	134.825

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

using model chemistry: B3PW91/6-31G**

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	0.812
2	F	-0.230
3	O	-0.291
4	O	-0.291

	x	y	z	Total
	0.000	0.000	-0.083	0.083
CHELPG
AIM
ESP

<r²>	53.170
(<r²>)^1/2	7.292

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

using model chemistry: B3PW91/6-31G**

States and conformations

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