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

All data (experiment and calculated) in the CCCBDB for SeS (Selenium monosulfide)

Other names
Selenium sulphide; Sulfur selenide; selenium monosulfide;
INChI
InChI=1S/SSe/c1-2

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   233  
Energy 298.15K   210  
Atomization Enthalpy 298.15K  190 
Atomization Enthalpy 0K  190 
Entropy (298.15K) entropy  203 
Entropy at any temperature   203  
Integrated Heat Capacity integrated heat capacity  203 
Heat Capacity (Cp) Heat capacity  203 
Nuclear Repulsion Energy   225  
HOMO-LUMO Energies HOMO energies   225  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x225  
Internal Coordinates bond lengths bond angles x225x
Products of moments of inertia moments of inertia x220x
Rotational Constants rotational constants x224x
Point Group  226 
Vibrations Vibrational Frequencies vibrations x224x
Vibrational Intensities  205 
Zero-point energies x224x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   128  
Dipole dipole  127 
Quadrupole quadrupole  125 
Polarizability polarizability  129 
Other results Spin   222  
Number of basis functions   4  
Diagnostics   1  
Conformations   1