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

All data (experiment and calculated) in the CCCBDB for AsP (Arsenic monophosphide)


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   330  
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   330  
HOMO-LUMO Energies HOMO energies   330  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  330  
Internal Coordinates bond lengths bond angles  330 
Products of moments of inertia moments of inertia x324x
Rotational Constants rotational constants x330x
Point Group  331 
Vibrations Vibrational Frequencies vibrations x330x
Vibrational Intensities  293 
Zero-point energies x330x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   194  
Dipole dipole  260 
Quadrupole quadrupole  232 
Polarizability polarizability  194 
Other results Spin   0  
Number of basis functions   27  
Diagnostics   0  
Conformations   1