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

All data (experiment and calculated) in the CCCBDB for D2S (Hydrogen sulfide-d2)

Other names
Hydrogen sulfide-D2;

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 x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   298  
Energy 298.15K   201  
Atomization Enthalpy 298.15K x198x
Atomization Enthalpy 0K x202x
Entropy (298.15K) entropy x168x
Entropy at any temperature   168  
Integrated Heat Capacity integrated heat capacity x168x
Heat Capacity (Cp) Heat capacity x168x
Nuclear Repulsion Energy   262  
HOMO-LUMO Energies HOMO energies   263  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x245  
Internal Coordinates bond lengths bond angles  245 
Products of moments of inertia moments of inertia x241x
Rotational Constants rotational constants x246x
Point Group  247 
Vibrations Vibrational Frequencies vibrations x246x
Vibrational Intensities  221 
Zero-point energies x246x
Vibrational scaling factors x
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   178  
Dipole dipole  168 
Quadrupole quadrupole  109 
Polarizability polarizability  113 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   6  
Conformations   1