# Exercise 3

**Topic: **Z-matrix with
special options
Construct a Z-Matrix for methanol, H_{3}COH, restricting
the molecular structure to *C*_{s} (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:

### Z-Matrix

## Send in

To have your solution checked, please send in the Z-matrix
(Gaussian input) of H_{3}COH restricted to
symmetry *C*_{s} .

Copyright © 2003
N.
Rösch,
Technische
Universität München