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

All data (experiment and calculated) in the CCCBDB for ArH+ (Argon hydride cation)


An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Enthalpy 298.15K enthalpy of formation      
Enthalpy 0K enthalpy of formation      
Energy 0K   272  
Energy 298.15K   9  
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   265  
HOMO-LUMO Energies HOMO energies   265  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x265  
Internal Coordinates bond lengths bond angles x265x
Products of moments of inertia moments of inertia x258x
Rotational Constants rotational constants x264x
Point Group  266 
Vibrations Vibrational Frequencies vibrations  264 
Vibrational Intensities  231 
Zero-point energies  264 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   136  
Dipole dipole x152x
Quadrupole quadrupole  150 
Polarizability polarizability  136 
Other results Spin   0  
Number of basis functions   4  
Diagnostics   0  
Conformations   1