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

All data (experiment and calculated) in the CCCBDB for SeO (Selenium monoxide)


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 x    
Enthalpy 0K enthalpy of formation      
Energy 0K   485  
Energy 298.15K   246  
Atomization Enthalpy 298.15K x227x
Atomization Enthalpy 0K  405 
Entropy (298.15K) entropy x216x
Entropy at any temperature   216  
Integrated Heat Capacity integrated heat capacity  216 
Heat Capacity (Cp) Heat capacity x216x
Nuclear Repulsion Energy   460  
HOMO-LUMO Energies HOMO energies   458  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x459  
Internal Coordinates bond lengths bond angles x459x
Products of moments of inertia moments of inertia x446x
Rotational Constants rotational constants x457x
Point Group  462 
Vibrations Vibrational Frequencies vibrations x457x
Vibrational Intensities  426 
Zero-point energies x457x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 226  
Electrostatics Atom charges   274  
Dipole dipole  272 
Quadrupole quadrupole  268 
Polarizability polarizability  262 
Other results Spin   234  
Number of basis functions   5  
Diagnostics   5  
Conformations   1