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

All data (experiment and calculated) in the CCCBDB for H3S+ (H3S+)

INChI
InChI=1S/H2S/h1H2/p+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   243  
Energy 298.15K   9  
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   238  
HOMO-LUMO Energies HOMO energies   236  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  236  
Internal Coordinates bond lengths bond angles  236 
Products of moments of inertia moments of inertia  227 
Rotational Constants rotational constants  233 
Point Group  239 
Vibrations Vibrational Frequencies vibrations x232x
Vibrational Intensities  216 
Zero-point energies  232 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   125  
Dipole dipole  134 
Quadrupole quadrupole  130 
Polarizability polarizability  134 
Other results Spin   0  
Number of basis functions   29  
Diagnostics   0  
Conformations   1