National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 19April 2018
NIST Standard Reference Database 101
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
VIInput and output files
VIITutorials and Units
VIIILinks to other sites
XOlder CCCBDB versions
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers

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II.A.3. (XII.A.1.)

Listing of experimental geometry data for N2F2 ((Z)-Difluorodiazene)

Rotational Constants (cm-1)

See section I.F.4 to change rotational constant units
0.65668 0.26508 0.18851
Rotational Constants from 1963Kuc/Wil:1030
Calculated rotational constants for N2F2 ((Z)-Difluorodiazene).

Point Group C2v

Internal coordinates

(distances (r) in Å) (angles (a) in degrees) (dihedrals (d) in degrees)
Description Value Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4
rNN 1.214 2 3 1976Hellwege(II/7)
rNF 1.384 1 2 1976Hellwege(II/7)
aNNF 114.5 1 2 3 1976Hellwege(II/7)
picture of (Z)-Difluorodiazene

Bond descriptions

Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
N=N 1
N-F 2

Atom x (Å) y (Å) z (Å)
F1 0.0000 1.1809 1.2594
N2 0.0000 0.6070 0.0000
N3 0.0000 -0.6070 0.0000
F4 0.0000 -1.1809 1.2594

Atom - Atom Distances (Å)

  F1 N2 N3 F4

Calculated geometries for N2F2 ((Z)-Difluorodiazene).
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squib reference DOI
1963Kuc/Wil:1030 RL Kuczkowski, EB Wilson "MICROWAVE SPECTRUM STRUCTURE, AND DIPOLE MOMENT OF CIS -N2F2" J. Chem. Phys 39(4) 1030, 1963 10.1063/1.1734353
1976Hellwege(II/7) Hellwege, KH and AM Hellwege (ed.). Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 7: Structure Data of Free Polyatomic Molecules. Springer-Verlag. Berlin. 1976.  

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