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

All data (experiment and calculated) in the CCCBDB for HBS (hydrogen boron sulfide)

Other names
Boron hydride sulfide; thioxoborane;

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 x    
Energy 0K   258  
Energy 298.15K   227  
Atomization Enthalpy 298.15K  222 
Atomization Enthalpy 0K x227x
Entropy (298.15K) entropy  213 
Entropy at any temperature   213  
Integrated Heat Capacity integrated heat capacity  213 
Heat Capacity (Cp) Heat capacity x213x
Nuclear Repulsion Energy   225  
HOMO-LUMO Energies HOMO energies   215  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x202  
Internal Coordinates bond lengths bond angles x202x
Products of moments of inertia moments of inertia x205x
Rotational Constants rotational constants x208x
Point Group  211 
Vibrations Vibrational Frequencies vibrations x206x
Vibrational Intensities  197 
Zero-point energies  206 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   163  
Dipole dipole x158x
Quadrupole quadrupole  151 
Polarizability polarizability  143 
Other results Spin   0  
Number of basis functions   4  
Diagnostics   6  
Conformations   1