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

All data (experiment and calculated) in the CCCBDB for AsF3 (Arsenic trifluoride)

Other names
Arsenous fluoride; Arsenic fluoride; Trifluoroarsine; Arsenious fluoride; Arsenic(III) fluoride;
INChI
InChI=1S/AsF3/c2-1(3)4

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   214  
Energy 298.15K   6  
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   209  
HOMO-LUMO Energies HOMO energies   208  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  208  
Internal Coordinates bond lengths bond angles  208 
Products of moments of inertia moments of inertia  202 
Rotational Constants rotational constants  205 
Point Group  210 
Vibrations Vibrational Frequencies vibrations  205 
Vibrational Intensities  193 
Zero-point energies  205 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   120  
Dipole dipole  120 
Quadrupole quadrupole  119 
Polarizability polarizability  120 
Other results Spin   0  
Number of basis functions   22  
Diagnostics   0  
Conformations   1