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

All data (experiment and calculated) in the CCCBDB for As2 (Arsenic diatomic)

INChI
InChI=1S/As2/c1-2

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      
Energy 0K   231  
Energy 298.15K   9  
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   224  
HOMO-LUMO Energies HOMO energies   224  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x224  
Internal Coordinates bond lengths bond angles x224x
Products of moments of inertia moments of inertia x218x
Rotational Constants rotational constants x224x
Point Group  225 
Vibrations Vibrational Frequencies vibrations x223x
Vibrational Intensities  211 
Zero-point energies x223x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   126  
Dipole dipole  126 
Quadrupole quadrupole  122 
Polarizability polarizability  126 
Other results Spin   0  
Number of basis functions   3  
Diagnostics   0  
Conformations   1