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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   249  
Energy 298.15K   224  
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   243  
HOMO-LUMO Energies HOMO energies   242  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  243  
Internal Coordinates bond lengths bond angles  243 
Products of moments of inertia moments of inertia  235 
Rotational Constants rotational constants  242 
Point Group  244 
Vibrations Vibrational Frequencies vibrations  240 
Vibrational Intensities  227 
Zero-point energies  240 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   142  
Dipole dipole  141 
Quadrupole quadrupole  139 
Polarizability polarizability  134 
Other results Spin   237  
Number of basis functions   5  
Diagnostics   1  
Conformations   1