demo of using gview and Gaussian to do relaxed and rigid energy scans
Table of Contents:
00:37 - building molecules
01:44 - "cleaning" the geometry
02:17 - DFT job setup
03:52 - ESP fitting
04:50 - job submission
05:38 - examining output
06:49 - atomic charges
07:56 - scans
09:31 - relaxed scan setup
11:10 - redundant coordinates
12:15 - adjusting the angle
14:06 - launching the scan
15:22 - relaxed scan results
16:33 - results plot
17:19 - saving the data
17:48 - saving the plot
18:32 - .com file editing
19:54 - Z-matrix format
21:57 - rigid scan setup
24:12 - launching Gaussian
24:40 - background jobs
26:05 - examining results
26:32 - plotting
27:29 - data file format
