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

All data (experiment and calculated) in the CCCBDB for Ne2 (Neon dimer)

INChI
InChI=1S/Ne2/c1-2

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   259  
Energy 298.15K   8  
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   258  
HOMO-LUMO Energies HOMO energies   256  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x256  
Internal Coordinates bond lengths bond angles x256x
Products of moments of inertia moments of inertia  239 
Rotational Constants rotational constants  245 
Point Group  259 
Vibrations Vibrational Frequencies vibrations  244 
Vibrational Intensities  244 
Zero-point energies  244 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   155  
Dipole dipole  7 
Quadrupole quadrupole  152 
Polarizability polarizability  155 
Other results Spin   0  
Number of basis functions   52  
Diagnostics   0  
Conformations   1