|Quantum Chemistry Laboratory|
|Prof. N. Rösch|
Construct a Z-Matrix for methanol, H3COH, restricting the molecular structure to Cs (a symmetry plane only). As in Exercise 2, the Z-matrix shall preserve symmetry during geometry optimization.
This exercise is more challenging than Exercise 2 since methanol is not planar. Feel free to read some hints. If they are not sufficient you can look at a full solution, too. This solution is only one of several correct alternatives.
Use the following typical estimates for distances and angles:
|bond distances, Å||C-O||1.4|
|bond angle||H-C-O||tetrahedral angle|
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