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	hartrees
Energy at 0K	-302.859853
Energy at 298.15K	-302.861422
HF Energy	-302.859853
Nuclear repulsion energy	114.147278

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1556	1499	143.89
2	A'	1075	1036	4.99
3	A'	770	742	40.43
4	A'	582	561	84.12
5	A'	257	248	0.12
6	A"	336	324	0.45

Atom	x (Å)	y (Å)
F1	1.306	0.342
O2	0.000	0.995
N3	-1.054	-0.163
O4	-0.547	-1.238

	F1	O2	N3	O4
F1		1.4601	2.4139	2.4350
O2	1.4601		1.5666	2.2988
N3	2.4139	1.5666		1.1879
O4	2.4350	2.2988	1.1879

Number	Element	Mulliken
1	F	-0.092
2	O	-0.061
3	N	0.360
4	O	-0.206

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

using model chemistry: HSEh1PBE/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
	-0.764	-0.357	0.000	0.844
CHELPG
AIM
ESP

	x	y	z
x	2.894	0.497	0.000
y	0.497	2.976	0.000
z	0.000	0.000	0.660

<r²>	59.646
(<r²>)^1/2	7.723