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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   186  
Energy 298.15K   8  
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   179  
HOMO-LUMO Energies HOMO energies   179  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  179  
Internal Coordinates bond lengths bond angles  179 
Products of moments of inertia moments of inertia  174 
Rotational Constants rotational constants  179 
Point Group  180 
Vibrations Vibrational Frequencies vibrations  179 
Vibrational Intensities  159 
Zero-point energies  179 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   89  
Dipole dipole  89 
Quadrupole quadrupole  88 
Polarizability polarizability  89 
Other results Spin   0  
Number of basis functions   24  
Diagnostics   0  
Conformations   1