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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   228  
Energy 298.15K   10  
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   223  
HOMO-LUMO Energies HOMO energies   222  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  223  
Internal Coordinates bond lengths bond angles  223 
Products of moments of inertia moments of inertia  216 
Rotational Constants rotational constants  223 
Point Group  224 
Vibrations Vibrational Frequencies vibrations  222 
Vibrational Intensities  209 
Zero-point energies  222 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   127  
Dipole dipole  132 
Quadrupole quadrupole  132 
Polarizability polarizability  133 
Other results Spin   15  
Number of basis functions   32  
Diagnostics   1  
Conformations   1