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	hartrees
Energy at 0K	-251.791501
Energy at 298.15K	-251.792419
HF Energy	-251.791501
Nuclear repulsion energy	67.471422

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1078	976	45.09
2	A₁	539	488	7.09
3	B₂	1051	951	103.66

Atom	y (Å)	z (Å)
N1	0.000	0.632
F2	1.086	-0.246
F3	-1.086	-0.246

	N1	F2	F3
N1		1.3968	1.3968
F2	1.3968		2.1720
F3	1.3968	2.1720

Number	Element	Mulliken
1	N	0.509
2	F	-0.254
3	F	-0.254

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

using model chemistry: HF/3-21G

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
	0.000	0.000	0.659	0.659
CHELPG	0.000	0.000	0.726	0.726
AIM
ESP	0.000	0.000	0.721	0.721

<r²>	34.546
(<r²>)^1/2	5.878

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

using model chemistry: HF/3-21G

States and conformations

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