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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   264  
Energy 298.15K   11  
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   259  
HOMO-LUMO Energies HOMO energies   259  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x258  
Internal Coordinates bond lengths bond angles x258x
Products of moments of inertia moments of inertia x251x
Rotational Constants rotational constants x259x
Point Group  260 
Vibrations Vibrational Frequencies vibrations  258 
Vibrational Intensities  229 
Zero-point energies  258 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   140  
Dipole dipole  150 
Quadrupole quadrupole  146 
Polarizability polarizability  134 
Other results Spin   0  
Number of basis functions   5  
Diagnostics   1  
Conformations   1