Structure Data of Free Polyatomic Molecules 305 C 2H 6O 5 MW, ab initio calculations Formic acid – water (2/1) (weakly bound complex) Cs (effective symmetry class) (large-amplitude motion) O 2 The observed rotational constants and results of MP2/6-31+G(d,p) calculations led to the structure shown in the figure. Priem, D., Ha, T.-K., Bauder, A.: J. Chem. Phys. 113 (2000) 169. Landolt-Börnstein New Series II/28B H . HO 2 OH
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