Dateien nach "Butadien/p_{0,0}" hochladen

2026-08-27 11:30:46 +02:00
parent 2b8693938b
commit c1b9fb62f7
5 changed files with 74 additions and 0 deletions
@@ -0,0 +1,8 @@
+6
+Coordinates from ORCA-job orca E -78.413559582731
+  C           0.66954559939326     -0.02584456093949     -0.01486828317574
+  C          -0.66982763916736      0.02528652564613      0.01488077240549
+  H           1.21345785346050     -0.98480845012161     -0.01744493993549
+  H           1.28439400346211      0.88892118827406     -0.03808601497116
+  H          -1.21196187232102      0.98530264892985      0.01740644911086
+  H          -1.28560794482750     -0.88885835178894      0.03811301656604