Dateien nach "Butadien/p_{0,10}" hochladen

2026-08-27 13:40:15 +02:00
parent ea7aeab53e
commit 8cbf374da8
3 changed files with 312 additions and 0 deletions
@@ -0,0 +1,26 @@
+24
+
+  C      2.414763    0.484424   -0.136508
+  C      1.111498   -0.233779   -0.355275
+  C     -0.095024    0.669414   -0.028862
+  C     -1.426009   -0.010568   -0.375049
+  C     -2.655128    0.737251    0.093515
+  C     -2.690669    1.922687    0.724998
+  C     -1.451842   -1.445583    0.117621
+  C     -0.352061   -2.113222    0.516967
+  C      1.033977   -1.527254    0.484296
+  C      3.355494    0.702337   -1.070999
+  H      2.585174    0.851952    0.894290
+  H      1.045012   -0.519813   -1.429290
+  H     -0.005675    1.634260   -0.568878
+  H     -0.080217    0.907155    1.058360
+  H     -1.509636   -0.054171   -1.491807
+  H     -3.612003    0.228089   -0.128280
+  H     -1.777546    2.484913    0.975938
+  H     -3.648731    2.381545    1.014412
+  H     -2.434919   -1.946317    0.149829
+  H     -0.454827   -3.148334    0.885435
+  H      1.757587   -2.273365    0.090059
+  H      1.376698   -1.320482    1.526410
+  H      4.289302    1.237766   -0.838413
+  H      3.224783    0.351095   -2.108769