1. Copy into work folder: 2DSCAN, gau2D.pbs, gauMP2.pbs, read_and_check, read_B3LYP, read_prepare
2. create comfile, e.g. after template TFSI.com. don't forget to adjust nprocshared and mem.
3. choose Name and dihedral range in 2DSCAN
4. bash 2DSCAN, which creates comfiles and list and adjusts gau2D.pbs and gauMP2.pbs
5. qsub gau2D.pbs
6. when finished: run read_and_check.
7. resubmit everything in aFAILED, e.g. by adjusting gau2D.pbs, and repeat until aFAILED is empty.
8. read results with read_RB3LYP
9. module load gaussian, run read_prepare, which forms the MP2 comfiles from the .chk files
10. qsub gauMP2.pbs
11. when finished: run read_and_check_MP2.
12. resubmit everything in aFAILED, repeat until everything has a normal termination
13. when done with that: read_MP2