From 85842e68cd2091529828ffc14b2ce9e7c14780ac Mon Sep 17 00:00:00 2001 From: kilian Date: Wed, 15 Jul 2026 11:00:59 +0200 Subject: [PATCH] Dateien nach "Vanilla/4-Hydroxybenzaldehyd" hochladen --- Vanilla/4-Hydroxybenzaldehyd/orca.xyz | 17 +++++++++++++++++ 1 file changed, 17 insertions(+) create mode 100644 Vanilla/4-Hydroxybenzaldehyd/orca.xyz diff --git a/Vanilla/4-Hydroxybenzaldehyd/orca.xyz b/Vanilla/4-Hydroxybenzaldehyd/orca.xyz new file mode 100644 index 0000000..5ee3a0f --- /dev/null +++ b/Vanilla/4-Hydroxybenzaldehyd/orca.xyz @@ -0,0 +1,17 @@ +15 + +C -2.596402 0.131230 -0.074418 +O -3.185945 -0.999533 -0.032262 +C -1.137897 0.114223 -0.064624 +C -0.510146 -1.112736 -0.010985 +C 0.886606 -1.185594 0.000668 +C 1.609414 -0.003754 -0.042727 +O 2.994835 -0.131180 -0.028939 +C 0.997237 1.237206 -0.096834 +C -0.393078 1.263546 -0.106565 +H -3.178461 1.041974 -0.114978 +H -1.038777 -2.055724 0.023928 +H 1.377187 -2.133676 0.042141 +H 3.450537 -0.528115 0.783688 +H 1.593759 2.136996 -0.129583 +H -0.868870 2.225138 -0.148510