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	hartrees
Energy at 0K	-300.644034
Energy at 298.15K	-300.645620
HF Energy	-300.644034
Nuclear repulsion energy	114.833468

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1654	1476	34.70
2	A'	1305	1165	4.67
3	A'	866	773	45.94
4	A'	751	670	1.37
5	A'	276	246	0.26
6	A"	337	300	0.05

Atom	x (Å)	y (Å)
F1	1.254	0.351
O2	0.000	0.981
N3	-1.056	-0.130
O4	-0.487	-1.261

	F1	O2	N3	O4
F1		1.4035	2.3598	2.3735
O2	1.4035		1.5327	2.2943
N3	2.3598	1.5327		1.2659
O4	2.3735	2.2943	1.2659

Number	Element	Mulliken
1	F	0.005
2	O	-0.002
3	N	0.059
4	O	-0.062

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

using model chemistry: B3LYP/STO-3G

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
	0.491	0.028	0.000	0.492
CHELPG
AIM
ESP

	x	y	z
x	1.976	0.445	0.000
y	0.445	2.122	0.000
z	0.000	0.000	0.407

<r²>	56.932
(<r²>)^1/2	7.545