Dateien nach "Butadien/p_{0,2}" hochladen

2026-08-27 11:34:30 +02:00
parent fcc722cf8f
commit 96f85ac174
5 changed files with 278 additions and 0 deletions
@@ -0,0 +1,22 @@
+20
+
+  C     -2.285980    0.353763   -0.195471
+  C     -1.688450   -1.026040   -0.286331
+  C     -0.165875   -0.994419   -0.478295
+  C      0.494296    0.025829    0.458387
+  C      2.001284    0.027558    0.444898
+  C      2.806276   -0.714844   -0.335323
+  C     -0.050515    1.443806    0.165603
+  C     -1.546332    1.465471   -0.008244
+  H     -3.381900    0.441800   -0.290971
+  H     -1.948883   -1.601622    0.633331
+  H     -2.167820   -1.588275   -1.117447
+  H      0.261853   -2.004529   -0.311355
+  H      0.069295   -0.719647   -1.530399
+  H      0.177477   -0.222214    1.500654
+  H      2.466284    0.741720    1.150914
+  H      2.413180   -1.441547   -1.063906
+  H      3.901649   -0.623576   -0.271126
+  H      0.246351    2.139381    0.981597
+  H      0.442229    1.847665   -0.750394
+  H     -2.044418    2.449723    0.023198