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

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

INChI
InChI=1/CHS/c1-2/h1H

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 x    
Enthalpy 0K enthalpy of formation      
Energy 0K   239  
Energy 298.15K   223  
Atomization Enthalpy 298.15K x200x
Atomization Enthalpy 0K  202 
Entropy (298.15K) entropy  218 
Entropy at any temperature   218  
Integrated Heat Capacity integrated heat capacity  218 
Heat Capacity (Cp) Heat capacity  218 
Nuclear Repulsion Energy   233  
HOMO-LUMO Energies HOMO energies   232  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  233  
Internal Coordinates bond lengths bond angles  233 
Products of moments of inertia moments of inertia  226 
Rotational Constants rotational constants  232 
Point Group  234 
Vibrations Vibrational Frequencies vibrations  231 
Vibrational Intensities  218 
Zero-point energies  231 
Vibrational scaling factors  
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   136  
Dipole dipole  136 
Quadrupole quadrupole  136 
Polarizability polarizability  128 
Other results Spin   227  
Number of basis functions   32  
Diagnostics   1  
Conformations   1