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

All data (experiment and calculated) in the CCCBDB for BrNO (Nitrosyl bromide)

INChI
InChI=1S/BrNO/c1-2-3

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 x    
Enthalpy 0K enthalpy of formation      
Energy 0K   245  
Energy 298.15K   7  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy x0x
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   243  
HOMO-LUMO Energies HOMO energies   243  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  243  
Internal Coordinates bond lengths bond angles  243 
Products of moments of inertia moments of inertia  233 
Rotational Constants rotational constants  238 
Point Group  244 
Vibrations Vibrational Frequencies vibrations  237 
Vibrational Intensities  219 
Zero-point energies  237 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   143  
Dipole dipole  143 
Quadrupole quadrupole  140 
Polarizability polarizability  129 
Other results Spin   0  
Number of basis functions   26  
Diagnostics   0  
Conformations   1