From bcbc27352b371a5f8d2a8b1b89eae3a1dfd1443f Mon Sep 17 00:00:00 2001 From: kilian Date: Wed, 15 Jul 2026 11:02:12 +0200 Subject: [PATCH] Dateien nach "Vanilla/Caffeicacid" hochladen --- Vanilla/Caffeicacid/orca.xyz | 23 +++++++++++++++++++++++ 1 file changed, 23 insertions(+) create mode 100644 Vanilla/Caffeicacid/orca.xyz diff --git a/Vanilla/Caffeicacid/orca.xyz b/Vanilla/Caffeicacid/orca.xyz new file mode 100644 index 0000000..4ead80d --- /dev/null +++ b/Vanilla/Caffeicacid/orca.xyz @@ -0,0 +1,23 @@ +21 + +O -4.353831 0.622959 -0.389446 +C -3.701553 -0.584428 -0.186280 +O -4.440474 -1.602500 -0.049855 +C -2.268178 -0.684209 -0.132158 +C -1.514175 0.382533 -0.275659 +C -0.059087 0.373896 -0.234952 +C 0.656005 1.553966 -0.396902 +C 2.036427 1.592808 -0.365523 +C 2.745243 0.428184 -0.167419 +O 4.143174 0.473443 -0.136556 +C 2.071898 -0.764528 -0.002395 +O 2.795834 -1.947555 0.198951 +C 0.684035 -0.765839 -0.039745 +H -5.345309 0.622099 -0.662494 +H -1.810036 -1.649434 0.028537 +H -2.023491 1.323811 -0.434042 +H 0.094811 2.479161 -0.554209 +H 2.559965 2.521793 -0.494088 +H 4.681883 -0.337630 0.118147 +H 2.837161 -2.314830 1.143707 +H 0.209696 -1.723700 0.094573