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

All data (experiment and calculated) in the CCCBDB for OH- (hydroxide anion)

Other names
Hydroxyl anion; Hydroxyl; hydroxide;
INChI
InChI=1S/H2O/h1H2/p-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 x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   234  
Energy 298.15K   216  
Atomization Enthalpy 298.15K  5 
Atomization Enthalpy 0K  200 
Entropy (298.15K) entropy  195 
Entropy at any temperature   195  
Integrated Heat Capacity integrated heat capacity  195 
Heat Capacity (Cp) Heat capacity  195 
Nuclear Repulsion Energy   227  
HOMO-LUMO Energies HOMO energies   226  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x213  
Internal Coordinates bond lengths bond angles x213x
Products of moments of inertia moments of inertia x217x
Rotational Constants rotational constants x224x
Point Group  228 
Vibrations Vibrational Frequencies vibrations x225x
Vibrational Intensities  210 
Zero-point energies x225x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   121  
Dipole dipole  126 
Quadrupole quadrupole  126 
Polarizability polarizability  127 
Other results Spin   20  
Number of basis functions   34  
Diagnostics   1  
Conformations   1