Dateien nach "Vanilla/3,4-Dihydroxybenzaldehyd" hochladen

2026-07-16 13:32:33 +02:00
parent c947b5c15f
commit 2fc475a38c
5 changed files with 2272 additions and 83 deletions
@@ -1,5 +1,5 @@
 !PBE D4 DEF2-SVP OPT

-%PAL NPROCS 4 END
+%PAL NPROCS 10 END

 * xyzfile 0 1 orca.xyz