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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   202  
Energy 298.15K   9  
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   198  
HOMO-LUMO Energies HOMO energies   198  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  198  
Internal Coordinates bond lengths bond angles  198 
Products of moments of inertia moments of inertia  192 
Rotational Constants rotational constants  198 
Point Group  199 
Vibrations Vibrational Frequencies vibrations x208x
Vibrational Intensities  205 
Zero-point energies x208x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   129  
Dipole dipole  129 
Quadrupole quadrupole  129 
Polarizability polarizability  130 
Other results Spin   0  
Number of basis functions   29  
Diagnostics   0  
Conformations   1