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

All data (experiment and calculated) in the CCCBDB for SiP (Silicon monophosphide)

INChI
InChI=1S/PSi/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   266  
Energy 298.15K   10  
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   261  
HOMO-LUMO Energies HOMO energies   261  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  261  
Internal Coordinates bond lengths bond angles  261 
Products of moments of inertia moments of inertia  254 
Rotational Constants rotational constants  261 
Point Group  262 
Vibrations Vibrational Frequencies vibrations  261 
Vibrational Intensities  226 
Zero-point energies  261 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   152  
Dipole dipole  152 
Quadrupole quadrupole  152 
Polarizability polarizability  135 
Other results Spin   254  
Number of basis functions   30  
Diagnostics   1  
Conformations   1