Table 5: Comparison of bond lengths for monomer and "vertical staggered" CO2:CH3OH complex.
  Monomer Complex
B3LYP/6-311++G** (Å) (Å)
Methanol C-O 1.4220 1.4266
Methanol O-H 0.9594 0.9615
Methanol C-H (ip) 1.0899 1.0898
2 Methanol C-H (oop) 1.0959 1.0960
Intermolecular NA 2.7548
CO2 C-O 1.1608 1.1611
CO2 C-O 1.1608 1.1610


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