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

All data (experiment and calculated) in the CCCBDB for SiP (Silicon 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   275  
Energy 298.15K   11  
Atomization Enthalpy 298.15K  8 
Atomization Enthalpy 0K  191 
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   270  
HOMO-LUMO Energies HOMO energies   270  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  270  
Internal Coordinates bond lengths bond angles  270 
Products of moments of inertia moments of inertia  261 
Rotational Constants rotational constants  269 
Point Group  271 
Vibrations Vibrational Frequencies vibrations  269 
Vibrational Intensities  234 
Zero-point energies  269 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   157  
Dipole dipole  156 
Quadrupole quadrupole  154 
Polarizability polarizability  140 
Other results Spin   263  
Number of basis functions   5  
Diagnostics   1  
Conformations   1