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
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XOlder CCCBDB versions
XIII Vibrations
XIVReaction data
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XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers

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Experimental Barriers to Internal Rotation for N2H4+ (hydrazine cation)

torsion index Angle Energy (kJ mol-1) Energy (cm-1)
1 0 35.80 2993
1 90 0.00 0
1 180 13.16 1100

Atoms in torsion 1 are 3, 1, 2, 6
The rotor type is NH2
torsion is the dihedral between the two angle(HNH) bisectors

picture of hydrazine cation

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