Dateien nach "Vanilla/4-Hydroxybenzaldehyd" hochladen

2026-07-16 14:03:51 +02:00
parent a88b5bc762
commit e0fbe2b89e
5 changed files with 12286 additions and 0 deletions
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+!PBE D4 DEF2-SVP OPT
+
+%PAL NPROCS 10 END
+
+* xyzfile 0 1 orca.xyz