There will be some MOPAC output files that don't have xyz coordinates.
Mostly, though, these are for INPUT purposes, not OUTPUT.

Miguel wrote:

Note that there are several options for MOPAC output files.
"xyz coordinates" is one of them. Are you reading the internal coord or
the xyz coord?


Someone here in Spain asked me about internal coordinates this morning.

Q: Is it important? Or just a nice-to-have?


Miguel



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