Dateien nach "Butadien/p_{0,4}" hochladen

This commit is contained in:
2026-08-27 11:41:10 +02:00
parent 81742972ab
commit fe87f3f620
5 changed files with 190 additions and 0 deletions
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@@ -0,0 +1,5 @@
!PBE D4 DEF2-SVP OPT
%PAL NPROCS 10 END
* xyzfile 0 1 orca.xyz