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

All data (experiment and calculated) in the CCCBDB for NH2Cl (chloramine)

Other names
Chloramide; Chloroamine; Monochloramide; Monochloramine; Monochloroamine; Monochloroammonia;
INChI
InChI=1S/ClH2N/c1-2/h2H2

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      
Enthalpy 0K enthalpy of formation      
Energy 0K   197  
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   190  
HOMO-LUMO Energies HOMO energies   190  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  190  
Internal Coordinates bond lengths bond angles  189 
Products of moments of inertia moments of inertia  184 
Rotational Constants rotational constants  190 
Point Group  191 
Vibrations Vibrational Frequencies vibrations  189 
Vibrational Intensities  169 
Zero-point energies  189 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   95  
Dipole dipole  96 
Quadrupole quadrupole  92 
Polarizability polarizability  96 
Other results Spin   0  
Number of basis functions   4  
Diagnostics   0  
Conformations   1