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

All data (experiment and calculated) in the CCCBDB for PS- (phosphorus monosulfide anion)

INChI
InChI=1S/PS/c1-2/q-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   461  
Energy 298.15K   19  
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   458  
HOMO-LUMO Energies HOMO energies   457  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  457  
Internal Coordinates bond lengths bond angles  457 
Products of moments of inertia moments of inertia  443 
Rotational Constants rotational constants  457 
Point Group  459 
Vibrations Vibrational Frequencies vibrations  457 
Vibrational Intensities  429 
Zero-point energies  457 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 229  
Electrostatics Atom charges   262  
Dipole dipole  270 
Quadrupole quadrupole  271 
Polarizability polarizability  271 
Other results Spin   228  
Number of basis functions   31  
Diagnostics   1  
Conformations   1