Dateien nach "Butadien/Butadien" hochladen

This commit is contained in:
2026-08-27 11:29:16 +02:00
parent 70ab1291df
commit c6dce716a6
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!PBE D4 DEF2-SVP OPT
%PAL NPROCS 10 END
* xyzfile 0 1 orca.xyz