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

1907021335
Other names
Oxammonium; hydroxylamine;
INChI
InChI=1S/H3NO/c1-2/h2H,1H2

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 x    
Energy 0K   721  
Energy 298.15K   236  
Atomization Enthalpy 298.15K x51x
Atomization Enthalpy 0K x51x
Entropy (298.15K) entropy x16x
Entropy at any temperature   16  
Integrated Heat Capacity integrated heat capacity x16x
Heat Capacity (Cp) Heat capacity x16x
Nuclear Repulsion Energy   689  
HOMO-LUMO Energies HOMO energies   581  
Barriers to Internal Rotation internal rotation  123 
Geometries Cartesians x644  
Internal Coordinates bond lengths bond angles x644x
Products of moments of inertia moments of inertia x650x
Rotational Constants rotational constants x660x
Point Group  686 
Vibrations Vibrational Frequencies vibrations fun. 656x
Vibrational Intensities  1194 
Zero-point energies x656x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Raman frequencies and intensities   417  
Electronic States Electronic states x 0  
Electrostatics Atom charges   391  
Dipole dipole x519x
Quadrupole quadrupole  445 
Polarizability polarizability  453 
Other results Spin   0  
Number of basis functions   71  
Conformations   1