Hi,
I'm quite new to Gaussian and struggle
with several difficulties with data plotting.
The task is - to create
potential energy surface (PES) of a molecule with 2 angles scan.
It looks like this:
D61_12_13 Â Â = Â Â Â
Â61.46117939 s 72 5.
D14_12_13_16 Â= Â Â
Â18.31423473 s 72 5.
In fact I can obtain
correct .out file and can visualize it with GaussView. But properties of this
graph are very poor (for example it is impossible to show isolines only or
change colours and fonts). Is it possible to extract data of angles and energies
somehow to plot them with Origin or Excel or smth. else?
Thanks!
Denis.