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	hartrees
Energy at 0K	-304.720633
Energy at 298.15K	-304.722026
HF Energy	-304.445645
Nuclear repulsion energy	115.867181

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1795	1713	252.56
2	A'	944	901	7.99
3	A'	785	750	58.13
4	A'	352	336	163.31
5	A'	254	242	1.63
6	A"	363	347	0.34

Atom	x (Å)	y (Å)
F1	1.321	0.393
O2	0.000	0.945
N3	-1.026	-0.172
O4	-0.589	-1.237

	F1	O2	N3	O4
F1		1.4321	2.4141	2.5109
O2	1.4321		1.5162	2.2597
N3	2.4141	1.5162		1.1510
O4	2.5109	2.2597	1.1510

Number	Element	Mulliken
1	F	-0.125
2	O	-0.013
3	N	0.145
4	O	-0.006

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

using model chemistry: B2PLYP/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
	-0.937	-0.670	0.000	1.152
CHELPG
AIM
ESP

	x	y	z
x	3.643	0.703	0.000
y	0.703	3.788	0.000
z	0.000	0.000	1.506

<r²>	60.005
(<r²>)^1/2	7.746