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All data (experiment and calculated) in the CCCBDB for H2CS- (thioformaldehyde anion)

1907021335
INChI
InChI=1S/CH2S/c1-2/h1H2/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 x    
Enthalpy 0K enthalpy of formation      
Energy 0K   1182  
Energy 298.15K   935  
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   1134  
HOMO-LUMO Energies HOMO energies   1039  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  1091  
Internal Coordinates bond lengths bond angles  1091 
Products of moments of inertia moments of inertia  1168 
Rotational Constants rotational constants  1184 
Point Group  1186 
Vibrations Vibrational Frequencies vibrations fun. 1183x
Vibrational Intensities  1049 
Zero-point energies  1183 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Raman frequencies and intensities   8  
Electronic States Electronic states x 0  
Electrostatics Atom charges   712  
Dipole dipole  911 
Quadrupole quadrupole  780 
Polarizability polarizability  770 
Other results Spin   1184  
Number of basis functions   137  
Conformations   2 x