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	hartrees
Energy at 0K	-308.858042
Energy at 298.15K	-308.859853
HF Energy	-308.858042
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1517	1487	0.00
2	A_g	1005	985	0.00
3	A_g	586	575	0.00
4	A_u	350	343	1.43
5	B_u	971	952	217.79
6	B_u	405	397	8.55

Atom	x (Å)	y (Å)
F1	0.601	1.557
N2	0.601	0.155
N3	-0.601	-0.155
F4	-0.601	-1.557

	F1	N2	N3	F4
F1		1.4019	2.0911	3.3373
N2	1.4019		1.2405	2.0911
N3	2.0911	1.2405		1.4019
F4	3.3373	2.0911	1.4019

Number	Element	Mulliken
1	F	-0.182
2	N	0.182
3	N	0.182
4	F	-0.182

All results from a given calculation for N₂F₂ (Dinitrogen difluoride, (E)-)

using model chemistry: B97D3/6-31G*

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
x	2.561	1.008	0.000
y	1.008	3.847	0.000
z	0.000	0.000	1.336

<r²>	68.162
(<r²>)^1/2	8.256

All results from a given calculation for N2F2 (Dinitrogen difluoride, (E)-)

using model chemistry: B97D3/6-31G*

States and conformations

All results from a given calculation for N₂F₂ (Dinitrogen difluoride, (E)-)