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	hartrees
Energy at 0K	-304.944135
Energy at 298.15K	-304.945490
HF Energy	-304.944135
Nuclear repulsion energy	116.838776

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1802	1740	245.91
2	A'	932	900	13.44
3	A'	809	781	80.66
4	A'	318	307	95.48
5	A'	222	214	20.50
6	A"	402	389	0.30

Atom	x (Å)	y (Å)
F1	1.342	0.380
O2	0.000	0.906
N3	-1.003	-0.128
O4	-0.632	-1.221

	F1	O2	N3	O4
F1		1.4410	2.3996	2.5416
O2	1.4410		1.4406	2.2184
N3	2.3996	1.4406		1.1541
O4	2.5416	2.2184	1.1541

Number	Element	Mulliken
1	F	-0.128
2	O	0.036
3	N	0.135
4	O	-0.043

All results from a given calculation for FONO (Nitrosyl hypofluorite)

using model chemistry: B3LYP/TZVP

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
	-0.799	-0.264	0.000	0.841
CHELPG
AIM
ESP

	x	y	z
x	3.773	0.660	0.000
y	0.660	3.600	0.000
z	0.000	0.000	1.506

<r²>	59.557
(<r²>)^1/2	7.717