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

All data (experiment and calculated) in the CCCBDB for BrONO (Bromine nitrite)

INChI
InChI=1S/BrNO2/c1-4-2-3

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   257  
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   256  
HOMO-LUMO Energies HOMO energies   238  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  238  
Internal Coordinates bond lengths bond angles  238 
Products of moments of inertia moments of inertia  228 
Rotational Constants rotational constants  234 
Point Group  257 
Vibrations Vibrational Frequencies vibrations x233x
Vibrational Intensities  219 
Zero-point energies  233 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   142  
Dipole dipole  142 
Quadrupole quadrupole  139 
Polarizability polarizability  128 
Other results Spin   0  
Number of basis functions   27  
Diagnostics   0  
Conformations   2 x