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

1907021335
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   771  
Energy 298.15K   496  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  1 
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   767  
HOMO-LUMO Energies HOMO energies   643  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x767  
Internal Coordinates bond lengths bond angles x767x
Products of moments of inertia moments of inertia x759x
Rotational Constants rotational constants x767x
Point Group  768 
Vibrations Vibrational Frequencies vibrations fun. har.765x
Vibrational Intensities  869 
Zero-point energies x765x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Raman frequencies and intensities   9  
Electronic States Electronic states x 0  
Electrostatics Atom charges   446  
Dipole dipole  573 
Quadrupole quadrupole  490 
Polarizability polarizability  458 
Other results Spin   767  
Number of basis functions   56  
Conformations   1