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

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

INChI
InChI=1/OSe/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      
Energy 0K   464  
Energy 298.15K   242  
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   439  
HOMO-LUMO Energies HOMO energies   436  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x438  
Internal Coordinates bond lengths bond angles x438x
Products of moments of inertia moments of inertia x431x
Rotational Constants rotational constants x438x
Point Group  441 
Vibrations Vibrational Frequencies vibrations x438x
Vibrational Intensities  407 
Zero-point energies x438x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 216  
Electrostatics Atom charges   263  
Dipole dipole  263 
Quadrupole quadrupole  263 
Polarizability polarizability  251 
Other results Spin   224  
Number of basis functions   27  
Diagnostics   5  
Conformations   1