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	hartrees
Energy at 0K	-254.370244
Energy at 298.15K	-254.371171
HF Energy	-254.370244
Nuclear repulsion energy	69.371626

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1099	1062	65.69
2	A₁	574	555	0.68
3	B₂	941	909	265.62

Atom	y (Å)	z (Å)
N1	0.000	0.604
F2	1.064	-0.235
F3	-1.064	-0.235

	N1	F2	F3
N1		1.3545	1.3545
F2	1.3545		2.1277
F3	1.3545	2.1277

Number	Element	Mulliken
1	N	0.212
2	F	-0.106
3	F	-0.106

All results from a given calculation for NF₂ (Difluoroamino radical)

using model chemistry: B3LYPultrafine/cc-pVTZ

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
x	1.102	0.000	0.000
y	0.000	2.407	-0.005
z	0.000	-0.005	1.585

<r²>	33.358
(<r²>)^1/2	5.776

All results from a given calculation for NF2 (Difluoroamino radical)

using model chemistry: B3LYPultrafine/cc-pVTZ

States and conformations

All results from a given calculation for NF₂ (Difluoroamino radical)