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All data (experiment and calculated) in the CCCBDB for HCONH2CN2H4 (formamide aminomethanimine dimer)

1907021335
INChI
InChI=1S/C2H7N3O/c1-3-7-5-2-6-8-4-1/h1-5H/b3-1-

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   160  
Energy 298.15K   144  
Atomization Enthalpy 298.15K  32 
Atomization Enthalpy 0K  34 
Entropy (298.15K) entropy  70 
Entropy at any temperature   70  
Integrated Heat Capacity integrated heat capacity  70 
Heat Capacity (Cp) Heat capacity  70 
Nuclear Repulsion Energy   127  
HOMO-LUMO Energies HOMO energies   107  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  128  
Internal Coordinates bond lengths bond angles  127 
Products of moments of inertia moments of inertia  121 
Rotational Constants rotational constants  125 
Point Group  131 
Vibrations Vibrational Frequencies vibrations  121 
Vibrational Intensities  125 
Zero-point energies  121 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Raman frequencies and intensities   4  
Electronic States Electronic states x 0  
Electrostatics Atom charges   118  
Dipole dipole  120 
Quadrupole quadrupole  115 
Polarizability polarizability  115 
Other results Spin   0  
Number of basis functions   6  
Conformations   1