From 6923346123104a746a58b00e184708207bf4fd34 Mon Sep 17 00:00:00 2001 From: Loris Burth Date: Tue, 22 Apr 2025 15:45:12 +0200 Subject: [PATCH] fixed bug in C2H2X.xyz file --- mol/C2H2X.xyz | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/mol/C2H2X.xyz b/mol/C2H2X.xyz index d3ecc8e..4de7810 100644 --- a/mol/C2H2X.xyz +++ b/mol/C2H2X.xyz @@ -2,6 +2,6 @@ C 0.0000 0.0000 0.6014892763648376 C 0.0000 0.0000 -0.6014892763648376 -H 0.0000 0.0000 0.5315055902703936 -H 0.0000 0.0000 -0.5315055902703936 +H 0.0000 0.0000 1.6874667478432346 +H 0.0000 0.0000 -1.6874667478432346 X 0.0000 0.0000 0.0