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

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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:
linear
polyatomic
Now paste into the following box the vibrational frequencies: (in cm-1)

Enter the scaling factor for vibrational frequencies below: