From 31259c7c5dda614c524407a493e31918fe8256fb Mon Sep 17 00:00:00 2001 From: EnzoMonino Date: Wed, 9 Dec 2020 08:31:57 +0100 Subject: [PATCH] cbutadiene_square --- output/cbutadiene/cbutadiene.xyz | 10 ---------- output/cbutadiene/cbutadiene_square.xyz | 10 ++++++++++ output/new_cbutadiene.com | 10 ---------- 3 files changed, 10 insertions(+), 20 deletions(-) delete mode 100644 output/cbutadiene/cbutadiene.xyz create mode 100644 output/cbutadiene/cbutadiene_square.xyz delete mode 100644 output/new_cbutadiene.com diff --git a/output/cbutadiene/cbutadiene.xyz b/output/cbutadiene/cbutadiene.xyz deleted file mode 100644 index d655b94..0000000 --- a/output/cbutadiene/cbutadiene.xyz +++ /dev/null @@ -1,10 +0,0 @@ - - -C -0.82021 1.29573 -1.72332 -C 0.37984 0.46351 -1.63817 -C -1.13952 0.96288 -0.47631 -C 0.06045 0.13069 -0.39109 -H -1.28260 1.92908 -2.47237 -H -1.96108 1.21924 0.18325 -H 1.20268 0.20539 -2.29562 -H 0.52113 -0.50209 0.35924 diff --git a/output/cbutadiene/cbutadiene_square.xyz b/output/cbutadiene/cbutadiene_square.xyz new file mode 100644 index 0000000..85c5382 --- /dev/null +++ b/output/cbutadiene/cbutadiene_square.xyz @@ -0,0 +1,10 @@ + 8 + + C 0.000000 0.000000 0.000000 + C 0.000000 0.000000 1.439000 + C 1.439000 0.000000 1.439000 + C 1.439000 0.000000 0.000000 + H -0.758726 0.000000 -0.758726 + H 2.197726 0.000000 2.197726 + H 2.197726 0.000000 -0.758726 + H -0.758726 0.000000 2.197726 diff --git a/output/new_cbutadiene.com b/output/new_cbutadiene.com deleted file mode 100644 index 5ed410c..0000000 --- a/output/new_cbutadiene.com +++ /dev/null @@ -1,10 +0,0 @@ - - C -0.863419240944 1.327351915194 -1.730164934796 - C 0.425059066778 0.433771357798 -1.638677349498 - C -1.184891649743 0.992329515359 -0.474917513331 - C 0.103595143151 0.098758993702 -0.383425162937 - H -1.304156594978 1.951276137982 -2.490484645087 - H -1.992374896064 1.234065032841 0.196761007944 - H 1.232532701373 0.192041592107 -2.310369131142 - H 0.544345470427 -0.525164544983 0.376887728848 -