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

All data (experiment and calculated) in the CCCBDB for HCS+ (Thioformyl cation)

INChI
InChI=1S/CHS/c1-2/h1H/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   253  
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   248  
HOMO-LUMO Energies HOMO energies   248  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x247  
Internal Coordinates bond lengths bond angles x247x
Products of moments of inertia moments of inertia x241x
Rotational Constants rotational constants x248x
Point Group  249 
Vibrations Vibrational Frequencies vibrations  248 
Vibrational Intensities  219 
Zero-point energies  248 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   140  
Dipole dipole  143 
Quadrupole quadrupole  142 
Polarizability polarizability  127 
Other results Spin   0  
Number of basis functions   32  
Diagnostics   1  
Conformations   1