Dateien nach "Vanilla/Caffeicacid" hochladen

2026-07-16 14:05:42 +02:00
parent 5d2a8cb93c
commit c1d4f979b4
5 changed files with 341 additions and 0 deletions
@@ -0,0 +1,5 @@
+!PBE D4 DEF2-SVP OPT
+
+%PAL NPROCS 10 END
+
+* xyzfile 0 1 orca.xyz