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

All data (experiment and calculated) in the CCCBDB for H3+ (hydrogen trimer cation)

INChI
InChI=1S/H3/c1-2-3-1/q+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   210  
Energy 298.15K   188  
Atomization Enthalpy 298.15K  146 
Atomization Enthalpy 0K  146 
Entropy (298.15K) entropy  173 
Entropy at any temperature   173  
Integrated Heat Capacity integrated heat capacity  173 
Heat Capacity (Cp) Heat capacity  173 
Nuclear Repulsion Energy   202  
HOMO-LUMO Energies HOMO energies   201  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  193  
Internal Coordinates bond lengths bond angles  193 
Products of moments of inertia moments of inertia  197 
Rotational Constants rotational constants  202 
Point Group  203 
Vibrations Vibrational Frequencies vibrations x204x
Vibrational Intensities  190 
Zero-point energies x204x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   113  
Dipole dipole  118 
Quadrupole quadrupole  118 
Polarizability polarizability  119 
Other results Spin   0  
Number of basis functions   27  
Diagnostics   0  
Conformations   1