return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All data (experiment and calculated) in the CCCBDB for NH4Cl (Ammonium chloride)

1907021335
INChI
InChI=1S/ClH.H3N/h1H;1H3

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   628  
Energy 298.15K   10  
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   629  
HOMO-LUMO Energies HOMO energies   543  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  625  
Internal Coordinates bond lengths bond angles  0 
Products of moments of inertia moments of inertia  617 
Rotational Constants rotational constants  625 
Point Group  630 
Vibrations Vibrational Frequencies vibrations  613 
Vibrational Intensities  615 
Zero-point energies  613 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Raman frequencies and intensities   28  
Electronic States Electronic states x 0  
Electrostatics Atom charges   339  
Dipole dipole  490 
Quadrupole quadrupole  394 
Polarizability polarizability  406 
Other results Spin   0  
Number of basis functions   35  
Conformations   1