Supporting Information- Stoichiometric reaction and catalytic effect of 2-dimethylaminoethanol in urethane formation

Cartesian coordinates of the stationary points for the 2-dimethylaminoethanol (DMEA) (stoichiometric reaction and catalytic system). The structures calculated at the BHandHLYP/6-31G(d) levelof theory in acetonitrile at 298.15 K and 1 atm. Cat.- catalysts, RC – reactant complex, TS – transition state, IM – intermediate, PC – productcomplex, P – product. Keywords included in the input files to carry out the calculations on the studied structures:# bhandhlyp/6-31g(d) opt=(tight) freq scrf=(smd,solvent=acetonitrile)# bhandhlyp/6-31g(d) opt=(calcfc,tight,ts,noeigentest) freq scrf=(smd,solvent=acetonitrile)# MP2/GTMP2large scrf=(smd,solvent=acetonitrile)# QCISD(T)/6-31G(d) scrf=(smd,solvent=acetonitrile