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

All data (experiment and calculated) in the CCCBDB for AsH2+ (Arsenic dihydride 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   334  
Energy 298.15K   7  
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   332  
HOMO-LUMO Energies HOMO energies   332  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  332  
Internal Coordinates bond lengths bond angles  332 
Products of moments of inertia moments of inertia  325 
Rotational Constants rotational constants  332 
Point Group  333 
Vibrations Vibrational Frequencies vibrations  332 
Vibrational Intensities  295 
Zero-point energies  332 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   194  
Dipole dipole  260 
Quadrupole quadrupole  232 
Polarizability polarizability  194 
Other results Spin   0  
Number of basis functions   30  
Diagnostics   0  
Conformations   1