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

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


An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Enthalpy 298.15K enthalpy of formation      
Enthalpy 0K enthalpy of formation      
Energy 0K   368  
Energy 298.15K   9  
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   366  
HOMO-LUMO Energies HOMO energies   362  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  362  
Internal Coordinates bond lengths bond angles x362x
Products of moments of inertia moments of inertia x352x
Rotational Constants rotational constants x358x
Point Group  367 
Vibrations Vibrational Frequencies vibrations x357x
Vibrational Intensities  329 
Zero-point energies x357x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   235  
Dipole dipole  306 
Quadrupole quadrupole  274 
Polarizability polarizability  236 
Other results Spin   0  
Number of basis functions   32  
Diagnostics   0  
Conformations   1