Table 2
Computed relative stabilities ΔE (kcal/mol) and dipole moments μ (Debye) of the lowest six energy isomers of urea at post Hartree-Fock levels of theory.
Notes. MP2/cc-pVTZ, CCSD/cc-pVTZ, and CCSD(T)/cc-pVTZ; μaug are ultimately refined values of the dipole moments at the CCSD/aug-cc-PVTZ level. Colour code: O atoms in red; H atoms in white; C atoms in grey; N atoms in blue.
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