Dateien nach "Vanilla/Cinnamicacid" hochladen

2026-07-16 14:06:31 +02:00
parent b7115fdccb
commit 9596267e13
5 changed files with 271 additions and 0 deletions
@@ -0,0 +1,5 @@
+!PBE D4 DEF2-SVP OPT
+
+%PAL NPROCS 10 END
+
+* xyzfile 0 1 orca.xyz