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

All data (experiment and calculated) in the CCCBDB for HNC (hydrogen isocyanide)

Other names
Isocyanic acid;
INChI
InChI=1/CHN/c1-2/h2H

An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Energies
Entropies
Enthalpy 298.15K enthalpy of formation x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   259  
Energy 298.15K   229  
Atomization Enthalpy 298.15K x218x
Atomization Enthalpy 0K x221x
Entropy (298.15K) entropy x192x
Entropy at any temperature   192  
Integrated Heat Capacity integrated heat capacity x192x
Heat Capacity (Cp) Heat capacity x192x
Nuclear Repulsion Energy   219  
HOMO-LUMO Energies HOMO energies   208  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x199  
Internal Coordinates bond lengths bond angles x199x
Products of moments of inertia moments of inertia x216x
Rotational Constants rotational constants x218x
Point Group  220 
Vibrations Vibrational Frequencies vibrations x219x
Vibrational Intensities  213 
Zero-point energies x219x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   170  
Dipole dipole x196x
Quadrupole quadrupole  170 
Polarizability polarizability  85 
Other results Spin   0  
Number of basis functions   4  
Diagnostics   6  
Conformations   1