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

All data (experiment and calculated) in the CCCBDB for CNO- (fulminate)

INChI
InChI=1S/CNO/c1-2-3/q-1

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      
Enthalpy 0K enthalpy of formation      
Energy 0K   201  
Energy 298.15K   10  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy  0 
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   198  
HOMO-LUMO Energies HOMO energies   198  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  198  
Internal Coordinates bond lengths bond angles  198 
Products of moments of inertia moments of inertia  191 
Rotational Constants rotational constants  198 
Point Group  199 
Vibrations Vibrational Frequencies vibrations  198 
Vibrational Intensities  189 
Zero-point energies  198 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   120  
Dipole dipole  123 
Quadrupole quadrupole  122 
Polarizability polarizability  123 
Other results Spin   0  
Number of basis functions   30  
Diagnostics   0  
Conformations   1