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All data (experiment and calculated) in the CCCBDB for SiH3Br (bromosilane)

1907021335
Other names
monobromosilane;
INChI
InChI=1S/BrH3Si/c1-2/h2H3

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      
Energy 0K   452  
Energy 298.15K   435  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy x0x
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity x0x
Nuclear Repulsion Energy   434  
HOMO-LUMO Energies HOMO energies   416  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x453  
Internal Coordinates bond lengths bond angles x453x
Products of moments of inertia moments of inertia  445 
Rotational Constants rotational constants x453x
Point Group  454 
Vibrations Vibrational Frequencies vibrations fun. 453x
Vibrational Intensities  420 
Zero-point energies x453x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   276  
Dipole dipole x379x
Quadrupole quadrupole  309 
Polarizability polarizability  326 
Other results Spin   0  
Number of basis functions   27  
Conformations   1