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

1907021335
INChI
InChI=1S/AsH2/h1H2

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 x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   67  
Energy 298.15K   56  
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   56  
HOMO-LUMO Energies HOMO energies   59  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  95  
Internal Coordinates bond lengths bond angles  58 
Products of moments of inertia moments of inertia  55 
Rotational Constants rotational constants  59 
Point Group  60 
Vibrations Vibrational Frequencies vibrations fun. 57x
Vibrational Intensities  273 
Zero-point energies  57 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   46  
Dipole dipole  49 
Quadrupole quadrupole  44 
Polarizability polarizability  203 
Other results Spin   59  
Number of basis functions   55  
Conformations   1