Dateien nach "Butadien/p_{0,16}" hochladen

2026-08-27 14:23:59 +02:00
parent 95b985b591
commit 5d87e08ac9
3 changed files with 442 additions and 0 deletions
@@ -0,0 +1,26 @@
+24
+
+  C     -3.701044    0.711934    0.034937
+  C     -2.785436    0.149691   -0.772329
+  C     -1.288611    0.145244   -0.590529
+  C     -0.686525   -1.236704   -0.733107
+  C      0.633309   -1.393608   -0.511752
+  C      1.455221   -0.181173   -0.127770
+  C      2.890170   -0.525197    0.181811
+  C      3.598990   -0.161687    1.264153
+  C      0.725398    0.619536    0.977263
+  C     -0.790912    0.805397    0.718013
+  H     -4.774567    0.658252   -0.203227
+  H     -3.426086    1.246730    0.957540
+  H     -3.134685   -0.371104   -1.683559
+  H     -0.872237    0.753949   -1.435216
+  H     -1.332366   -2.087591   -1.004944
+  H      1.119888   -2.379236   -0.593443
+  H      1.483936    0.476590   -1.035537
+  H      3.387103   -1.141352   -0.590868
+  H      4.650201   -0.467401    1.380711
+  H      3.171018    0.451551    2.072637
+  H      1.223995    1.603269    1.095320
+  H      0.873436    0.078183    1.934023
+  H     -1.366462    0.361888    1.556116
+  H     -1.053735    1.882835    0.696722