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

All data (experiment and calculated) in the CCCBDB for AsH+ (Arsenic monohydride 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   352  
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   350  
HOMO-LUMO Energies HOMO energies   350  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  322  
Internal Coordinates bond lengths bond angles  322 
Products of moments of inertia moments of inertia  315 
Rotational Constants rotational constants  322 
Point Group  351 
Vibrations Vibrational Frequencies vibrations  322 
Vibrational Intensities  286 
Zero-point energies  322 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   183  
Dipole dipole  252 
Quadrupole quadrupole  221 
Polarizability polarizability  197 
Other results Spin   350  
Number of basis functions   30  
Diagnostics   0  
Conformations   1