From 745a1e50e418752dc9078452dd4419e43f957ac6 Mon Sep 17 00:00:00 2001
From: kilian <Kilian.seng@web.de>
Date: Wed, 15 Jul 2026 11:03:32 +0200
Subject: [PATCH] Dateien nach "Vanilla/p-Coumaricacid" hochladen

---
 Vanilla/p-Coumaricacid/orca.xyz | 22 ++++++++++++++++++++++
 1 file changed, 22 insertions(+)
 create mode 100644 Vanilla/p-Coumaricacid/orca.xyz

diff --git a/Vanilla/p-Coumaricacid/orca.xyz b/Vanilla/p-Coumaricacid/orca.xyz
new file mode 100644
index 0000000..8d3191d
--- /dev/null
+++ b/Vanilla/p-Coumaricacid/orca.xyz
@@ -0,0 +1,22 @@
+20
+
+O     -4.141444   -0.622189   -0.648732
+C     -3.644708    0.407311    0.105512
+O     -4.465983    1.197182    0.645179
+C     -2.212854    0.606422    0.294729
+C     -1.350538   -0.218030   -0.268415
+C      0.095412   -0.097916   -0.135373
+C      0.940156   -1.015433   -0.765754
+C      2.311179   -0.940113   -0.667268
+C      2.914080    0.058647    0.068332
+O      4.291070    0.182849    0.202054
+C      2.105098    0.979255    0.702085
+C      0.717563    0.888125    0.591727
+H     -4.990032   -1.122751   -0.346038
+H     -1.854511    1.429227    0.896300
+H     -1.750844   -1.020027   -0.856455
+H      0.524027   -1.818610   -1.355100
+H      2.963648   -1.652111   -1.156566
+H      4.860253   -0.660038    0.292489
+H      2.537625    1.794807    1.300810
+H      0.150804    1.623392    1.100482