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

All data (experiment and calculated) in the CCCBDB for NH2OH (hydroxylamine)

Other names
Oxammonium; hydroxylamine;

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   318  
Energy 298.15K   288  
Atomization Enthalpy 298.15K x266x
Atomization Enthalpy 0K x266x
Entropy (298.15K) entropy x239x
Entropy at any temperature   239  
Integrated Heat Capacity integrated heat capacity x239x
Heat Capacity (Cp) Heat capacity x239x
Nuclear Repulsion Energy   274  
HOMO-LUMO Energies HOMO energies   262  
Barriers to Internal Rotation internal rotation  15 
Geometries Cartesians x227  
Internal Coordinates bond lengths bond angles x227x
Products of moments of inertia moments of inertia  247 
Rotational Constants rotational constants x252x
Point Group  251 
Vibrations Vibrational Frequencies vibrations x248x
Vibrational Intensities  245 
Zero-point energies x248x
Vibrational scaling factors x
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   180  
Dipole dipole x175x
Quadrupole quadrupole  168 
Polarizability polarizability  111 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   6  
Conformations   1