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

All data (experiment and calculated) in the CCCBDB for BrF (Bromine monofluoride)

Other names
Bromine fluoride;
INChI
InChI=1/BrF/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 x    
Energy 0K   246  
Energy 298.15K   219  
Atomization Enthalpy 298.15K x204x
Atomization Enthalpy 0K x204x
Entropy (298.15K) entropy x197x
Entropy at any temperature   197  
Integrated Heat Capacity integrated heat capacity x197x
Heat Capacity (Cp) Heat capacity x197x
Nuclear Repulsion Energy   222  
HOMO-LUMO Energies HOMO energies   214  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x222  
Internal Coordinates bond lengths bond angles x222x
Products of moments of inertia moments of inertia x218x
Rotational Constants rotational constants x222x
Point Group  223 
Vibrations Vibrational Frequencies vibrations x221x
Vibrational Intensities  211 
Zero-point energies x221x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   134  
Dipole dipole x137x
Quadrupole quadrupole x133x
Polarizability polarizability  135 
Other results Spin   10  
Number of basis functions   4  
Diagnostics   6  
Conformations   1