• Safety: before entering the lab read and return the safety agreement signed.
• Experimental format.
• ChemDraw-Experimental.
• ChemDraw-ppt.
• Calculations at CESGA: 

1. Create an account.
2. Install MobaXterm.
3. Install SpecDis.
4. Install Chemdraw.
5. Create *.sh file example.sh
6. Create *.gjf file example.gjf, you can use for example gaussview.
7. Upload the files or create them in CESGA using MobaXterm.
8. Submit the bob with the command:

qsub -l num_proc=4,s_rt=50:00:00,s_vmem=8G,h_fsize=20G jl1-1.sh
changing number of proc, 1, 4, 8 or 16, running time, max 200 h, s_vmem, max 2.6 per proc, h_fsize, larger than s_vmem.

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