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

All data (experiment and calculated) in the CCCBDB for NO (Nitric oxide)

Other names
Amidogen, oxo-; Nitric oxide; Nitrogen monoxide; Nitrogen oxide; Nitrogen oxide (NO); Nitrosyl radical;

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 x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   880  
Energy 298.15K   295  
Atomization Enthalpy 298.15K x280x
Atomization Enthalpy 0K x287x
Entropy (298.15K) entropy x255x
Entropy at any temperature   255  
Integrated Heat Capacity integrated heat capacity x255x
Heat Capacity (Cp) Heat capacity x254x
Nuclear Repulsion Energy   832  
HOMO-LUMO Energies HOMO energies   793  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x778  
Internal Coordinates bond lengths bond angles x778x
Products of moments of inertia moments of inertia x800x
Rotational Constants rotational constants x804x
Point Group  812 
Vibrations Vibrational Frequencies vibrations x803x
Vibrational Intensities  619 
Zero-point energies x803x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   415  
Dipole dipole x463x
Quadrupole quadrupole  417 
Polarizability polarizability x362x
Other results Spin   749  
Number of basis functions   8  
Diagnostics   6  
Conformations   1