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

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


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   510  
Energy 298.15K   22  
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   505  
HOMO-LUMO Energies HOMO energies   504  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  504  
Internal Coordinates bond lengths bond angles  504 
Products of moments of inertia moments of inertia  485 
Rotational Constants rotational constants  502 
Point Group  506 
Vibrations Vibrational Frequencies vibrations  502 
Vibrational Intensities  456 
Zero-point energies  502 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 243  
Electrostatics Atom charges   271  
Dipole dipole  293 
Quadrupole quadrupole  289 
Polarizability polarizability  281 
Other results Spin   239  
Number of basis functions   5  
Diagnostics   1  
Conformations   1