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	hartrees
Energy at 0K	-65.840702
Energy at 298.15K	-65.842256
HF Energy	-65.840702
Nuclear repulsion energy	64.905653

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1769	1708	205.15
2	A'	945	913	23.49
3	A'	810	782	62.20
4	A'	484	468	97.35
5	A'	261	252	0.39
6	A"	401	388	0.19

Atom	x (Å)	y (Å)
F1	1.338	0.367
O2	0.000	0.912
N3	-1.006	-0.106
O4	-0.625	-1.232

	F1	O2	N3	O4
F1		1.4444	2.3904	2.5310
O2	1.4444		1.4305	2.2324
N3	2.3904	1.4305		1.1885
O4	2.5310	2.2324	1.1885

Number	Element	Mulliken
1	F	-0.123
2	O	0.049
3	N	0.053
4	O	0.021

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

using model chemistry: B3LYP/CEP-31G*

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
	-0.664	-0.001	0.000	0.664
CHELPG
AIM
ESP

	x	y	z
x	3.631	0.609	0.000
y	0.609	3.474	0.000
z	0.000	0.000	1.249

<r²>	47.967
(<r²>)^1/2	6.926