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	hartrees
Energy at 0K	-307.628719
Energy at 298.15K	-307.630628
Nuclear repulsion energy	115.453233

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1559	1540	0.00
2	A_g	1071	1058	0.00
3	A_g	623	615	0.00
4	A_u	367	362	1.70
5	B_u	1042	1029	241.47
6	B_u	424	419	12.30

Atom	x (Å)	y (Å)
F1	0.589	1.529
N2	0.589	0.165
N3	-0.589	-0.165
F4	-0.589	-1.529

	F1	N2	N3	F4
F1		1.3643	2.0635	3.2773
N2	1.3643		1.2237	2.0635
N3	2.0635	1.2237		1.3643
F4	3.2773	2.0635	1.3643

Number	Element	Mulliken
1	F	-0.129
2	N	0.129
3	N	0.129
4	F	-0.129

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

using model chemistry: LSDA/6-311G**

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	2.442	0.985	0.000
y	0.985	3.648	0.000
z	0.000	0.000	1.203

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-311G**

States and conformations

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