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

All data (experiment and calculated) in the CCCBDB for NeH+ (neon hydrogen cation)

INChI
InChI=1S/Ne/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   251  
Energy 298.15K   227  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy  209 
Entropy at any temperature   209  
Integrated Heat Capacity integrated heat capacity  209 
Heat Capacity (Cp) Heat capacity  209 
Nuclear Repulsion Energy   241  
HOMO-LUMO Energies HOMO energies   241  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  227  
Internal Coordinates bond lengths bond angles  227 
Products of moments of inertia moments of inertia  236 
Rotational Constants rotational constants  241 
Point Group  242 
Vibrations Vibrational Frequencies vibrations  240 
Vibrational Intensities  219 
Zero-point energies  240 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   129  
Dipole dipole  137 
Quadrupole quadrupole  134 
Polarizability polarizability  137 
Other results Spin   0  
Number of basis functions   29  
Diagnostics   0  
Conformations   1