return to home page

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

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

INChI
InChI=1S/PSi/c1-2/q-1

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   277  
Energy 298.15K   11  
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   271  
HOMO-LUMO Energies HOMO energies   272  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  271  
Internal Coordinates bond lengths bond angles  271 
Products of moments of inertia moments of inertia  263 
Rotational Constants rotational constants  271 
Point Group  272 
Vibrations Vibrational Frequencies vibrations  271 
Vibrational Intensities  232 
Zero-point energies  271 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   145  
Dipole dipole  156 
Quadrupole quadrupole  154 
Polarizability polarizability  142 
Other results Spin   12  
Number of basis functions   5  
Diagnostics   1  
Conformations   1