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

All data (experiment and calculated) in the CCCBDB for AsH2 (Arsenic dihydride)


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 x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   287  
Energy 298.15K   8  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy x0x
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity x0x
Heat Capacity (Cp) Heat capacity x0x
Nuclear Repulsion Energy   280  
HOMO-LUMO Energies HOMO energies   280  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  280  
Internal Coordinates bond lengths bond angles  280 
Products of moments of inertia moments of inertia  274 
Rotational Constants rotational constants  279 
Point Group  281 
Vibrations Vibrational Frequencies vibrations x278x
Vibrational Intensities  237 
Zero-point energies  278 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   150  
Dipole dipole  149 
Quadrupole quadrupole  147 
Polarizability polarizability  137 
Other results Spin   279  
Number of basis functions   30  
Diagnostics   0  
Conformations   1