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

All data (experiment and calculated) in the CCCBDB for HClO4 (perchloric acid)

INChI
InChI=1S/ClHO4/c2-1(3,4)5/h2H

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   18  
Energy 298.15K   2  
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   18  
HOMO-LUMO Energies HOMO energies   18  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  18  
Internal Coordinates bond lengths bond angles x18x
Products of moments of inertia moments of inertia x17x
Rotational Constants rotational constants x18x
Point Group  19 
Vibrations Vibrational Frequencies vibrations  18 
Vibrational Intensities  12 
Zero-point energies  18 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   10  
Dipole dipole  10 
Quadrupole quadrupole  10 
Polarizability polarizability  11 
Other results Spin   0  
Number of basis functions   3  
Diagnostics   0  
Conformations   1