return to home page

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

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

Other names
Hydroxyl anion; Hydroxyl; hydroxide;

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   247  
Energy 298.15K   217  
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   240  
HOMO-LUMO Energies HOMO energies   236  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x226  
Internal Coordinates bond lengths bond angles x226x
Products of moments of inertia moments of inertia x228x
Rotational Constants rotational constants x236x
Point Group  241 
Vibrations Vibrational Frequencies vibrations x237x
Vibrational Intensities  220 
Zero-point energies x237x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   119  
Dipole dipole  131 
Quadrupole quadrupole  129 
Polarizability polarizability  133 
Other results Spin   0  
Number of basis functions   7  
Diagnostics   1  
Conformations   1