National Institute of Standards and Technology

Computational Chemistry Comparison and Benchmark DataBase
Release
NIST Standard Reference Database 101

I	Introduction
II	Experimental data
III	Calculated data
IV	Data comparisons
V	Cost comparisons
VI	Input and output files
VII	Tutorials and Units
VIII	Links to other sites
IX	Feedback
X	Older CCCBDB versions
XII	Geometries
XIII	Vibrations
XIV	Reaction data
XV	Entropy data
XVI	Bibliographic data
XVII	Ion data
XVIII	Bad calculations
XIX	Index of properties
XX	H-bond dimers
XXI	Oddities

---

NIST policy on privacy, security, and accessibility.

---

© 2013 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.

The National Institute of Standards and Technology (NIST) is an agency of the U.S. Department of Commerce.

Please send questions, comments, corrections, additions and suggestions to cccbdb@nist.gov.

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: