National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 17bSeptember 2015
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

NIST policy on privacy, security, and accessibility.

Please rate our products
© 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

return to home page

I.B.3. (II.A.2.)

All data (experiment and calculated) in the CCCBDB for CHONH2 (formamide)

Other names
Amid kyseliny mravenci; Formimidic acid; formamide; Formimidic acid; Methanamide; Amid kyseliny mravenci; Methanamide; Carbamaldehyde; Carbamaldehyde;

An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Enthalpy 298.15K enthalpy of formation x    
Enthalpy 0K enthalpy of formation      
Energy 0K   815  
Energy 298.15K   70  
Atomization Enthalpy 298.15K x47x
Atomization Enthalpy 0K  48 
Entropy (298.15K) entropy  17 
Entropy at any temperature   17  
Integrated Heat Capacity integrated heat capacity  17 
Heat Capacity (Cp) Heat capacity  17 
Nuclear Repulsion Energy   779  
HOMO-LUMO Energies HOMO energies   700  
Barriers to Internal Rotation internal rotation  719 
Geometries Cartesians x764  
Internal Coordinates bond lengths bond angles x764x
Products of moments of inertia moments of inertia x753x
Rotational Constants rotational constants x769x
Point Group  782 
Vibrations Vibrational Frequencies vibrations x9132x
Vibrational Intensities  926 
Zero-point energies x761x
Vibrational scaling factors x
Anharmonic frequencies and constants   1  
Electronic States Electronic states x 0  
Electrostatics Atom charges   462  
Dipole dipole x609x
Quadrupole quadrupole x552x
Polarizability polarizability  533 
Other results Spin   0  
Number of basis functions   61  
Conformations   2 x
2015 06 10 17:36