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

All data (experiment and calculated) in the CCCBDB for H2OCH3OCH3 (water dimethylether dimer)

INChI
InChI=1/C2H8O2/c1-4(2)5-3/h3H,1-2H3

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   135  
Energy 298.15K   119  
Atomization Enthalpy 298.15K  51 
Atomization Enthalpy 0K  51 
Entropy (298.15K) entropy  72 
Entropy at any temperature   72  
Integrated Heat Capacity integrated heat capacity  72 
Heat Capacity (Cp) Heat capacity  72 
Nuclear Repulsion Energy   85  
HOMO-LUMO Energies HOMO energies   70  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  81  
Internal Coordinates bond lengths bond angles  81 
Products of moments of inertia moments of inertia  80 
Rotational Constants rotational constants  81 
Point Group  86 
Vibrations Vibrational Frequencies vibrations  81 
Vibrational Intensities  81 
Zero-point energies  81 
Vibrational scaling factors  
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   82  
Dipole dipole  81 
Quadrupole quadrupole  82 
Polarizability polarizability  80 
Other results Spin   0  
Number of basis functions   9  
Diagnostics   2  
Conformations   1