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All data (experiment and calculated) in the CCCBDB for H2O- (water anion)

1907021335
INChI
InChI=1S/H2O/h1H2/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   1360  
Energy 298.15K   1129  
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   1319  
HOMO-LUMO Energies HOMO energies   1121  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  1173  
Internal Coordinates bond lengths bond angles  1173 
Products of moments of inertia moments of inertia  1339 
Rotational Constants rotational constants  1355 
Point Group  1359 
Vibrations Vibrational Frequencies vibrations  1354 
Vibrational Intensities  1346 
Zero-point energies  1354 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Raman frequencies and intensities   10  
Electronic States Electronic states x 0  
Electrostatics Atom charges   742  
Dipole dipole  935 
Quadrupole quadrupole  790 
Polarizability polarizability  784 
Other results Spin   1355  
Number of basis functions   98  
Conformations   2 x