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Sorry, I found a solution. |
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Hello all,
I have never used MOPA before, so I am very new to MOPAC. After installing MOPAC via conda, I started digging around how to collect data of a molecule, such as heat of formation, entropy,... that MOPAC can offer. When I opened this website to look for an example (https://openmopac.github.io/examples.html), it says under development. Thus, I wonder if anyone can provide an example of how to obtain output file using MOPAC (i.e., input file and command line to do the job)? Some example found online first generate an .xyz file and then click on the MOPAC, but it was back in 2012 - 2016, so it is very old now.
I'd very much appreciate help to get started! Thanks in advance.
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