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

All data (experiment and calculated) in the CCCBDB for CS2+ (Carbon disulfide cation)

INChI
InChI=1S/CS2/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   231  
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   226  
HOMO-LUMO Energies HOMO energies   225  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  224  
Internal Coordinates bond lengths bond angles  224 
Products of moments of inertia moments of inertia  218 
Rotational Constants rotational constants  225 
Point Group  227 
Vibrations Vibrational Frequencies vibrations  225 
Vibrational Intensities  211 
Zero-point energies  225 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   130  
Dipole dipole  134 
Quadrupole quadrupole  134 
Polarizability polarizability  119 
Other results Spin   212  
Number of basis functions   35  
Diagnostics   1  
Conformations   1