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	hartrees
Energy at 0K	-303.169850
Energy at 298.15K	-303.171867
HF Energy	-303.169850
Nuclear repulsion energy	116.078791

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1110	1104	167.57
2	A₁	802	798	79.58
3	A₁	548	545	0.97
4	B₁	632	629	7.45
5	B₂	1422	1415	154.82
6	B₂	463	461	2.35

Atom	y (Å)	z (Å)
N1	0.000	-0.196
F2	0.000	1.353
O3	1.157	-0.676
O4	-1.157	-0.676

	N1	F2	O3	O4
N1		1.5496	1.2527	1.2527
F2	1.5496		2.3359	2.3359
O3	1.2527	2.3359		2.3147
O4	1.2527	2.3359	2.3147

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	N1	O3	112.504		F2	N1	O4	112.504
O3	N1	O4	134.992

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

using model chemistry: BLYP/3-21G

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
You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	0.000	0.000	-0.340	0.340
CHELPG
AIM
ESP

<r²>	58.349
(<r²>)^1/2	7.639

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

using model chemistry: BLYP/3-21G

States and conformations

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