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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   231  
Energy 298.15K   217  
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   207  
HOMO-LUMO Energies HOMO energies   199  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x207  
Internal Coordinates bond lengths bond angles x207x
Products of moments of inertia moments of inertia x206x
Rotational Constants rotational constants x208x
Point Group  208 
Vibrations Vibrational Frequencies vibrations x207x
Vibrational Intensities  197 
Zero-point energies x207x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   128  
Dipole dipole x128x
Quadrupole quadrupole x126x
Polarizability polarizability  129 
Other results Spin   12  
Number of basis functions   27  
Diagnostics   6  
Conformations   1