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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   235  
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   234  
HOMO-LUMO Energies HOMO energies   234  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  234  
Internal Coordinates bond lengths bond angles  234 
Products of moments of inertia moments of inertia  224 
Rotational Constants rotational constants  229 
Point Group  235 
Vibrations Vibrational Frequencies vibrations  229 
Vibrational Intensities  211 
Zero-point energies  229 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   137  
Dipole dipole  137 
Quadrupole quadrupole  137 
Polarizability polarizability  123 
Other results Spin   0  
Number of basis functions   26  
Diagnostics   0  
Conformations   1