return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All data (experiment and calculated) in the CCCBDB for KOH (Potassium hydroxide)

1907021335
INChI
InChI=1S/K.H2O/h;1H2/q+1;/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      
Energy 0K   390  
Energy 298.15K   354  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy x0x
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   373  
HOMO-LUMO Energies HOMO energies   357  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x390  
Internal Coordinates bond lengths bond angles x390x
Products of moments of inertia moments of inertia x383x
Rotational Constants rotational constants x390x
Point Group  391 
Vibrations Vibrational Frequencies vibrations  389 
Vibrational Intensities  355 
Zero-point energies  389 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Raman frequencies and intensities   1  
Electronic States Electronic states x 0  
Electrostatics Atom charges   229  
Dipole dipole  319 
Quadrupole quadrupole  256 
Polarizability polarizability  271 
Other results Spin   0  
Number of basis functions   24  
Conformations   2 x