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

1907021335
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   619  
Energy 298.15K   592  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  4 
Entropy (298.15K) entropy  4 
Entropy at any temperature   4  
Integrated Heat Capacity integrated heat capacity  4 
Heat Capacity (Cp) Heat capacity  4 
Nuclear Repulsion Energy   612  
HOMO-LUMO Energies HOMO energies   521  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x599  
Internal Coordinates bond lengths bond angles x599x
Products of moments of inertia moments of inertia x604x
Rotational Constants rotational constants x612x
Point Group  613 
Vibrations Vibrational Frequencies vibrations har.613x
Vibrational Intensities  729 
Zero-point energies x613x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   354  
Dipole dipole  470 
Quadrupole quadrupole  388 
Polarizability polarizability  411 
Other results Spin   0  
Number of basis functions   116  
Conformations   2 x