Dateien nach "Kaffee/1-methylxanthine" hochladen

2026-05-04 11:11:57 +02:00
parent 155977ad03
commit 3a3f1777b1
5 changed files with 14035 additions and 0 deletions
@@ -0,0 +1,2 @@
+!PBE D4 DEF2-SVP OPT
+* xyzfile 0 1 orca.xyz