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

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

All data (experiment and calculated) in the CCCBDB for HNO (Nitrosyl hydride)

Other names
Nitrosyl hydride;

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 x    
Energy 0K   336  
Energy 298.15K   268  
Atomization Enthalpy 298.15K x262x
Atomization Enthalpy 0K x263x
Entropy (298.15K) entropy x226x
Entropy at any temperature   226  
Integrated Heat Capacity integrated heat capacity x226x
Heat Capacity (Cp) Heat capacity x226x
Nuclear Repulsion Energy   287  
HOMO-LUMO Energies HOMO energies   279  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x243  
Internal Coordinates bond lengths bond angles x243x
Products of moments of inertia moments of inertia x264x
Rotational Constants rotational constants x268x
Point Group  269 
Vibrations Vibrational Frequencies vibrations x798x
Vibrational Intensities  264 
Zero-point energies x266x
Vibrational scaling factors x
Anharmonic frequencies and constants   1  
Electronic States Electronic states x 0  
Electrostatics Atom charges   178  
Dipole dipole x208x
Quadrupole quadrupole  190 
Polarizability polarizability  176 
Other results Spin   10  
Number of basis functions   13  
Conformations   1  
2015 06 10 17:36