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

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

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   277  
Energy 298.15K   6  
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   270  
HOMO-LUMO Energies HOMO energies   270  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  270  
Internal Coordinates bond lengths bond angles  270 
Products of moments of inertia moments of inertia  266 
Rotational Constants rotational constants  269 
Point Group  271 
Vibrations Vibrational Frequencies vibrations x269x
Vibrational Intensities  228 
Zero-point energies  269 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   145  
Dipole dipole  145 
Quadrupole quadrupole  145 
Polarizability polarizability  132 
Other results Spin   269  
Number of basis functions   24  
Diagnostics   0  
Conformations   1