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

All data (experiment and calculated) in the CCCBDB for AsF5 (Arsenic pentafluoride)

INChI
InChI=1S/AsF5/c2-1(3,4,5)6

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      
Enthalpy 0K enthalpy of formation      
Energy 0K   226  
Energy 298.15K   8  
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   221  
HOMO-LUMO Energies HOMO energies   221  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  220  
Internal Coordinates bond lengths bond angles  220 
Products of moments of inertia moments of inertia  213 
Rotational Constants rotational constants  218 
Point Group  222 
Vibrations Vibrational Frequencies vibrations x217x
Vibrational Intensities  206 
Zero-point energies x217x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   132  
Dipole dipole  131 
Quadrupole quadrupole  129 
Polarizability polarizability  133 
Other results Spin   0  
Number of basis functions   4  
Diagnostics   0  
Conformations   1