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

All data (experiment and calculated) in the CCCBDB for H3BO3 (Boric acid)

Other names
Orthoboric acid; Boracic acid; Boron hydroxide; Boron trihydroxide; boric acid;
INChI
InChI=1S/BH3O3/c2-1(3)4/h2-4H

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   212  
Energy 298.15K   10  
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  0 
Nuclear Repulsion Energy   208  
HOMO-LUMO Energies HOMO energies   208  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  208  
Internal Coordinates bond lengths bond angles  208 
Products of moments of inertia moments of inertia  201 
Rotational Constants rotational constants  208 
Point Group  209 
Vibrations Vibrational Frequencies vibrations x217x
Vibrational Intensities  214 
Zero-point energies x217x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   135  
Dipole dipole  134 
Quadrupole quadrupole  132 
Polarizability polarizability  136 
Other results Spin   0  
Number of basis functions   4  
Diagnostics   0  
Conformations   1