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

All data (experiment and calculated) in the CCCBDB for H2S- (Hydrogen sulfide anion)


An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Enthalpy 298.15K enthalpy of formation      
Enthalpy 0K enthalpy of formation      
Energy 0K   399  
Energy 298.15K   13  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  1 
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   398  
HOMO-LUMO Energies HOMO energies   307  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  398  
Internal Coordinates bond lengths bond angles  397 
Products of moments of inertia moments of inertia  347 
Rotational Constants rotational constants  357 
Point Group  399 
Vibrations Vibrational Frequencies vibrations  356 
Vibrational Intensities  306 
Zero-point energies  356 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   214  
Dipole dipole  295 
Quadrupole quadrupole  260 
Polarizability polarizability  186 
Other results Spin   394  
Number of basis functions   38  
Diagnostics   0  
Conformations   2 x