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

All data (experiment and calculated) in the CCCBDB for ONONO (Nitrosyl nitrite)


An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Enthalpy 298.15K enthalpy of formation      
Enthalpy 0K enthalpy of formation      
Energy 0K   344  
Energy 298.15K   10  
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   345  
HOMO-LUMO Energies HOMO energies   312  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  343  
Internal Coordinates bond lengths bond angles  343 
Products of moments of inertia moments of inertia  335 
Rotational Constants rotational constants  343 
Point Group  346 
Vibrations Vibrational Frequencies vibrations x343x
Vibrational Intensities  312 
Zero-point energies  343 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   196  
Dipole dipole  260 
Quadrupole quadrupole  232 
Polarizability polarizability  196 
Other results Spin   0  
Number of basis functions   29  
Diagnostics   0  
Conformations   1