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	hartrees
Energy at 0K	-302.830404
Energy at 298.15K	-302.831985
HF Energy	-302.830404
Nuclear repulsion energy	114.243605

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1552	1491	141.68
2	A'	1081	1038	4.87
3	A'	772	742	40.94
4	A'	589	566	84.60
5	A'	261	250	0.12
6	A"	337	324	0.46

Atom	x (Å)	y (Å)
F1	1.305	0.342
O2	0.000	0.993
N3	-1.053	-0.161
O4	-0.547	-1.237

	F1	O2	N3	O4
F1		1.4585	2.4107	2.4331
O2	1.4585		1.5625	2.2964
N3	2.4107	1.5625		1.1892
O4	2.4331	2.2964	1.1892

Number	Element	Mulliken
1	F	-0.092
2	O	-0.061
3	N	0.360
4	O	-0.208

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

using model chemistry: PBE1PBE/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
	-0.753	-0.343	0.000	0.827
CHELPG
AIM
ESP

	x	y	z
x	2.887	0.491	0.000
y	0.491	2.975	0.000
z	0.000	0.000	0.660

<r²>	59.559
(<r²>)^1/2	7.717