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

All data (experiment and calculated) in the CCCBDB for CaH+ (Calcium monohydride cation)

INChI
InChI=1S/Ca.H/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   287  
Energy 298.15K   9  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy  0 
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   287  
HOMO-LUMO Energies HOMO energies   261  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  285  
Internal Coordinates bond lengths bond angles  285 
Products of moments of inertia moments of inertia  278 
Rotational Constants rotational constants  285 
Point Group  288 
Vibrations Vibrational Frequencies vibrations  285 
Vibrational Intensities  261 
Zero-point energies  285 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   179  
Dipole dipole  224 
Quadrupole quadrupole  200 
Polarizability polarizability  168 
Other results Spin   0  
Number of basis functions   28  
Diagnostics   0  
Conformations   1