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

All data (experiment and calculated) in the CCCBDB for CaCl (calcium monochloride)

INChI
InChI=1S/Ca.ClH/h;1H/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   204  
Energy 298.15K   7  
Atomization Enthalpy 298.15K x0x
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   202  
HOMO-LUMO Energies HOMO energies   202  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x202  
Internal Coordinates bond lengths bond angles x202x
Products of moments of inertia moments of inertia x197x
Rotational Constants rotational constants x201x
Point Group  203 
Vibrations Vibrational Frequencies vibrations x201x
Vibrational Intensities  170 
Zero-point energies x201x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   109  
Dipole dipole x112x
Quadrupole quadrupole  110 
Polarizability polarizability  100 
Other results Spin   201  
Number of basis functions   18  
Diagnostics   0  
Conformations   1