National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
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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VII.D.2. (XV.G.)

Page for calculating the integrated heat capacity.

This page will calculate the integrated heat capacity (for converting enthalpies between 0 and 298.15K) given the vibrational frequencies of a molecule.
Choose whether the molecule is linear or polyatomic:
Now paste into the following box the vibrational frequencies: (in cm-1)

Enter the scaling factor for vibrational frequencies below: