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	hartrees
Energy at 0K	-304.960122
Energy at 298.15K	-304.961514
HF Energy	-304.960122
Nuclear repulsion energy	117.686967

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1775	1708	220.89
2	A'	930	895	13.53
3	A'	811	781	94.01
4	A'	346	333	75.29
5	A'	208	201	15.37
6	A"	431	415	0.20

Atom	x (Å)	y (Å)
F1	1.335	0.368
O2	0.000	0.897
N3	-0.992	-0.114
O4	-0.634	-1.213

	F1	O2	N3	O4
F1		1.4360	2.3766	2.5251
O2	1.4360		1.4166	2.2031
N3	2.3766	1.4166		1.1559
O4	2.5251	2.2031	1.1559

Number	Element	Mulliken
1	F	-0.121
2	O	0.048
3	N	0.211
4	O	-0.138

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

using model chemistry: B3LYP/Def2TZVPP

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
	-0.686	-0.009	0.000	0.686
CHELPG
AIM
ESP

	x	y	z
x	3.927	0.647	0.000
y	0.647	3.609	0.000
z	0.000	0.000	1.675

<r²>	58.763
(<r²>)^1/2	7.666