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

All data (experiment and calculated) in the CCCBDB for HCNH+ (HCNH+)

INChI
InChI=1S/CH2N/c1-2/h1-2H/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   238  
Energy 298.15K   8  
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   234  
HOMO-LUMO Energies HOMO energies   233  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  233  
Internal Coordinates bond lengths bond angles  233 
Products of moments of inertia moments of inertia x223x
Rotational Constants rotational constants x229x
Point Group  235 
Vibrations Vibrational Frequencies vibrations x228x
Vibrational Intensities  211 
Zero-point energies  228 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   124  
Dipole dipole  130 
Quadrupole quadrupole  129 
Polarizability polarizability  130 
Other results Spin   0  
Number of basis functions   31  
Diagnostics   0  
Conformations   1