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

All data (experiment and calculated) in the CCCBDB for HCNO (fulminic acid)

Other names
Hydrogen cyanide N-oxide;

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      
Enthalpy 0K enthalpy of formation      
Energy 0K   252  
Energy 298.15K   228  
Atomization Enthalpy 298.15K  207 
Atomization Enthalpy 0K  207 
Entropy (298.15K) entropy  187 
Entropy at any temperature   187  
Integrated Heat Capacity integrated heat capacity  187 
Heat Capacity (Cp) Heat capacity  187 
Nuclear Repulsion Energy   227  
HOMO-LUMO Energies HOMO energies   224  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  212  
Internal Coordinates bond lengths bond angles x212x
Products of moments of inertia moments of inertia  218 
Rotational Constants rotational constants  225 
Point Group  228 
Vibrations Vibrational Frequencies vibrations x223x
Vibrational Intensities  220 
Zero-point energies  223 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   139  
Dipole dipole x140x
Quadrupole quadrupole  138 
Polarizability polarizability  140 
Other results Spin   0  
Number of basis functions   3  
Diagnostics   5  
Conformations   1