Calculated Energies of Hydrogen-Bonded dimers
|Dimer||Name||H Donor||H Acceptor||comment|
|HCONH2CN2H4||formamide aminomethanimine dimer||CHONH2||NHCHNH2||both are donors|
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The energies in each cell in the following tables are:
|cp geometry optimzed||diff|
The second entry is the counterpoise corrected energy.
The third entry is the energy from the counterpoise corrected optimized geomtery.
Differences from the uncorrected energy are shown to the right in millihartrees.
glossary in section I.C. Predefined means the basis set used is determined by the method.