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

All data (experiment and calculated) in the CCCBDB for NH3O (Ammonia Oxide)

Other names
azane oxide;

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   342  
Energy 298.15K   9  
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   343  
HOMO-LUMO Energies HOMO energies   341  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  341  
Internal Coordinates bond lengths bond angles  341 
Products of moments of inertia moments of inertia  334 
Rotational Constants rotational constants  341 
Point Group  344 
Vibrations Vibrational Frequencies vibrations  340 
Vibrational Intensities  303 
Zero-point energies  340 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   201  
Dipole dipole  269 
Quadrupole quadrupole  238 
Polarizability polarizability  201 
Other results Spin   0  
Number of basis functions   30  
Diagnostics   0  
Conformations   1