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

All data (experiment and calculated) in the CCCBDB for OCSe (Carbonyl selenide)

INChI
InChI=1/COSe/c2-1-3

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      
Enthalpy 0K enthalpy of formation      
Energy 0K   223  
Energy 298.15K   191  
Atomization Enthalpy 298.15K  186 
Atomization Enthalpy 0K  190 
Entropy (298.15K) entropy  168 
Entropy at any temperature   168  
Integrated Heat Capacity integrated heat capacity  168 
Heat Capacity (Cp) Heat capacity  168 
Nuclear Repulsion Energy   199  
HOMO-LUMO Energies HOMO energies   197  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x198  
Internal Coordinates bond lengths bond angles x198x
Products of moments of inertia moments of inertia x194x
Rotational Constants rotational constants x199x
Point Group  206 
Vibrations Vibrational Frequencies vibrations x195x
Vibrational Intensities  189 
Zero-point energies x195x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   186  
Dipole dipole x188x
Quadrupole quadrupole x130x
Polarizability polarizability  127 
Other results Spin   0  
Number of basis functions   4  
Diagnostics   5  
Conformations   1