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

All data (experiment and calculated) in the CCCBDB for BeCl- (beryllium monochloride anion)

INChI
InChI=1S/Be.ClH/h;1H/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      
Enthalpy 0K enthalpy of formation      
Energy 0K   238  
Energy 298.15K   11  
Atomization Enthalpy 298.15K  6 
Atomization Enthalpy 0K  197 
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   233  
HOMO-LUMO Energies HOMO energies   232  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  233  
Internal Coordinates bond lengths bond angles  233 
Products of moments of inertia moments of inertia  224 
Rotational Constants rotational constants  232 
Point Group  234 
Vibrations Vibrational Frequencies vibrations  231 
Vibrational Intensities  218 
Zero-point energies  231 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   125  
Dipole dipole  137 
Quadrupole quadrupole  135 
Polarizability polarizability  139 
Other results Spin   13  
Number of basis functions   5  
Diagnostics   1  
Conformations   1