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	hartrees
Energy at 0K	-304.736658
Energy at 298.15K	-304.738323
HF Energy	-304.736658
Nuclear repulsion energy	118.799071

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1827	1740	218.92
2	A'	968	922	19.21
3	A'	838	798	84.03
4	A'	543	518	105.28
5	A'	280	267	0.96
6	A"	420	400	0.21

Atom	x (Å)	y (Å)
F1	1.314	0.341
O2	0.000	0.890
N3	-0.979	-0.087
O4	-0.622	-1.198

	F1	O2	N3	O4
F1		1.4244	2.3329	2.4741
O2	1.4244		1.3828	2.1790
N3	2.3329	1.3828		1.1673
O4	2.4741	2.1790	1.1673

Number	Element	Mulliken
1	F	-0.114
2	O	0.200
3	N	-0.125
4	O	0.039

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

using model chemistry: wB97X-D/6-31+G**

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
	-0.581	0.116	0.000	0.593
CHELPG
AIM
ESP

	x	y	z
x	3.868	0.558	0.000
y	0.558	3.734	0.000
z	0.000	0.000	1.821

<r²>	57.452
(<r²>)^1/2	7.580