return to home page

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

All data (experiment and calculated) in the CCCBDB for AsN (Arsenic mononitride)

INChI
InChI=1S/AsN/c1-2

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   336  
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   336  
HOMO-LUMO Energies HOMO energies   336  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x335  
Internal Coordinates bond lengths bond angles x335x
Products of moments of inertia moments of inertia x329x
Rotational Constants rotational constants x335x
Point Group  337 
Vibrations Vibrational Frequencies vibrations x334x
Vibrational Intensities  297 
Zero-point energies x334x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   197  
Dipole dipole  263 
Quadrupole quadrupole  232 
Polarizability polarizability  197 
Other results Spin   0  
Number of basis functions   27  
Diagnostics   0  
Conformations   1