return to home page

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

All data (experiment and calculated) in the CCCBDB for SiO (Silicon monoxide)

Other names
Silicon monoxide; Silicon oxide; Silicon(II) oxide; Silylene, oxo-;
INChI
InChI=1/OSi/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 x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   298  
Energy 298.15K   263  
Atomization Enthalpy 298.15K x252x
Atomization Enthalpy 0K x261x
Entropy (298.15K) entropy x244x
Entropy at any temperature   244  
Integrated Heat Capacity integrated heat capacity x244x
Heat Capacity (Cp) Heat capacity x244x
Nuclear Repulsion Energy   261  
HOMO-LUMO Energies HOMO energies   232  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x233  
Internal Coordinates bond lengths bond angles x233x
Products of moments of inertia moments of inertia x238x
Rotational Constants rotational constants x243x
Point Group  245 
Vibrations Vibrational Frequencies vibrations x241x
Vibrational Intensities  217 
Zero-point energies x241x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   173  
Dipole dipole x168x
Quadrupole quadrupole  160 
Polarizability polarizability  150 
Other results Spin   10  
Number of basis functions   5  
Diagnostics   6  
Conformations   1