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	hartrees
Energy at 0K	-309.033521
Energy at 298.15K	-309.035390
Nuclear repulsion energy	113.863243

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1627	1569	0.00
2	A_g	1035	998	0.00
3	A_g	604	583	0.00
4	A_u	361	348	2.82
5	B_u	997	961	269.12
6	B_u	418	403	11.87

Atom	x (Å)	y (Å)
F1	0.591	1.555
N2	0.591	0.160
N3	-0.591	-0.160
F4	-0.591	-1.555

	F1	N2	N3	F4
F1		1.3948	2.0828	3.3265
N2	1.3948		1.2253	2.0828
N3	2.0828	1.2253		1.3948
F4	3.3265	2.0828	1.3948

Number	Element	Mulliken	ESP
1	F	-0.108	-0.069
2	N	0.108	0.070
3	N	0.108	0.068
4	F	-0.108	-0.069

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

using model chemistry: B3LYP/6-31+G**

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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HF vs MP2 Bad vib. Calc. vs exp. 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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	3.028	0.990	0.000
y	0.990	4.475	0.000
z	0.000	0.000	1.884

<r²>	68.440
(<r²>)^1/2	8.273

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

using model chemistry: B3LYP/6-31+G**

States and conformations

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