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 GaCl3 (Gallium trichloride)

1907021335
INChI
InChI=1S/3ClH.Ga/h3*1H;/q;;;+3/p-3

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   557  
Energy 298.15K   74  
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   556  
HOMO-LUMO Energies HOMO energies   497  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x556  
Internal Coordinates bond lengths bond angles x556x
Products of moments of inertia moments of inertia  549 
Rotational Constants rotational constants  555 
Point Group  557 
Vibrations Vibrational Frequencies vibrations fun. 451x
Vibrational Intensities  682 
Zero-point energies x451x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Raman frequencies and intensities   377  
Electronic States Electronic states x 0  
Electrostatics Atom charges   331  
Dipole dipole  458 
Quadrupole quadrupole  374 
Polarizability polarizability  393 
Other results Spin   0  
Number of basis functions   31  
Conformations   1