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

All data (experiment and calculated) in the CCCBDB for SeO3 (selenium trioxide)


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   317  
Energy 298.15K   9  
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   317  
HOMO-LUMO Energies HOMO energies   317  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  317  
Internal Coordinates bond lengths bond angles  317 
Products of moments of inertia moments of inertia  310 
Rotational Constants rotational constants  317 
Point Group  318 
Vibrations Vibrational Frequencies vibrations  316 
Vibrational Intensities  288 
Zero-point energies  316 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   196  
Dipole dipole  6 
Quadrupole quadrupole  227 
Polarizability polarizability  196 
Other results Spin   0  
Number of basis functions   26  
Diagnostics   0  
Conformations   2 x