Dateien nach "Butadien/p_{0,6}" hochladen

2026-08-27 11:58:36 +02:00
parent d699ec1512
commit 488162bd1c
3 changed files with 264 additions and 0 deletions
@@ -0,0 +1,22 @@
+20
+
+  C      3.196271   -0.360788    0.269338
+  C      1.960213    0.022831    0.630969
+  C      0.721692   -0.092523   -0.224364
+  C      0.114099    1.275910   -0.474580
+  C     -1.206965    1.538702   -0.404286
+  C     -2.248945    0.488596   -0.119608
+  C     -1.682933   -0.930854   -0.259604
+  C     -0.312641   -1.044724    0.416711
+  H      4.057513   -0.251652    0.946952
+  H      3.391842   -0.801580   -0.723178
+  H      1.799933    0.463729    1.633280
+  H      1.034978   -0.516744   -1.208341
+  H      0.820679    2.087457   -0.718444
+  H     -1.558074    2.571128   -0.575411
+  H     -2.657425    0.642082    0.907315
+  H     -3.119233    0.631144   -0.797018
+  H     -2.389250   -1.673503    0.165665
+  H     -1.577048   -1.177244   -1.339143
+  H      0.070170   -2.085133    0.378695
+  H     -0.414879   -0.786832    1.495050