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

All data (experiment and calculated) in the CCCBDB for H2S2 (HSSH)

Other names
Dihydrogen disulfide; Disulfane;

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   331  
Energy 298.15K   281  
Atomization Enthalpy 298.15K x267x
Atomization Enthalpy 0K x271x
Entropy (298.15K) entropy x264x
Entropy at any temperature   264  
Integrated Heat Capacity integrated heat capacity  264 
Heat Capacity (Cp) Heat capacity x263x
Nuclear Repulsion Energy   293  
HOMO-LUMO Energies HOMO energies   284  
Barriers to Internal Rotation internal rotation  17 
Geometries Cartesians x262  
Internal Coordinates bond lengths bond angles x262x
Products of moments of inertia moments of inertia x269x
Rotational Constants rotational constants x274x
Point Group  278 
Vibrations Vibrational Frequencies vibrations x271x
Vibrational Intensities  241 
Zero-point energies x271x
Vibrational scaling factors x
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   195  
Dipole dipole  188 
Quadrupole quadrupole  180 
Polarizability polarizability  129 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   6  
Conformations   1