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

All data (experiment and calculated) in the CCCBDB for H2CN (H2CN)

Other names
Amidogen, methylene-;

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   378  
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   379  
HOMO-LUMO Energies HOMO energies   328  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  379  
Internal Coordinates bond lengths bond angles  379 
Products of moments of inertia moments of inertia  371 
Rotational Constants rotational constants  379 
Point Group  380 
Vibrations Vibrational Frequencies vibrations x379x
Vibrational Intensities  328 
Zero-point energies x379x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   216  
Dipole dipole  281 
Quadrupole quadrupole  253 
Polarizability polarizability  198 
Other results Spin   379  
Number of basis functions   61  
Diagnostics   0  
Conformations   1