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

All data (experiment and calculated) in the CCCBDB for SeO2 (Selenium dioxide)

Other names
Selenium(IV) oxide; Selenium oxide; selenium dioxide;
INChI
InChI=1/O2Se/c1-3-2

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      
Energy 0K   221  
Energy 298.15K   185  
Atomization Enthalpy 298.15K x181x
Atomization Enthalpy 0K  183 
Entropy (298.15K) entropy x161x
Entropy at any temperature   161  
Integrated Heat Capacity integrated heat capacity  161 
Heat Capacity (Cp) Heat capacity x161x
Nuclear Repulsion Energy   197  
HOMO-LUMO Energies HOMO energies   197  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x197  
Internal Coordinates bond lengths bond angles x197x
Products of moments of inertia moments of inertia x193x
Rotational Constants rotational constants x198x
Point Group  199 
Vibrations Vibrational Frequencies vibrations x197x
Vibrational Intensities  190 
Zero-point energies x197x
Vibrational scaling factors x
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   123  
Dipole dipole x127x
Quadrupole quadrupole  124 
Polarizability polarizability  123 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   5  
Conformations   1