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

All data (experiment and calculated) in the CCCBDB for OCS+ (Carbonyl sulfide cation)

INChI
InChI=1S/COS/c2-1-3/q+1

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   259  
Energy 298.15K   10  
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   254  
HOMO-LUMO Energies HOMO energies   253  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  252  
Internal Coordinates bond lengths bond angles  252 
Products of moments of inertia moments of inertia  246 
Rotational Constants rotational constants  253 
Point Group  255 
Vibrations Vibrational Frequencies vibrations  253 
Vibrational Intensities  226 
Zero-point energies  253 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   142  
Dipole dipole  146 
Quadrupole quadrupole  146 
Polarizability polarizability  131 
Other results Spin   239  
Number of basis functions   33  
Diagnostics   0  
Conformations   1