From fbfb5d99d6d532f5c3d0bf9cba7e10095a431e23 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Micka=C3=ABl=20V=C3=A9ril?= Date: Tue, 27 Oct 2020 10:21:05 +0100 Subject: [PATCH] Add cyclopentadiene.xyz --- cyclopentadiene/cc-pvdz/cyclopentadiene.xyz | 13 +++++++++++++ 1 file changed, 13 insertions(+) create mode 100644 cyclopentadiene/cc-pvdz/cyclopentadiene.xyz diff --git a/cyclopentadiene/cc-pvdz/cyclopentadiene.xyz b/cyclopentadiene/cc-pvdz/cyclopentadiene.xyz new file mode 100644 index 0000000..1668a34 --- /dev/null +++ b/cyclopentadiene/cc-pvdz/cyclopentadiene.xyz @@ -0,0 +1,13 @@ +11 + +C 0.00000000 0.00000000 -2.33113051 +C 0.00000000 2.22209092 -0.56871188 +C 0.00000000 -2.22209092 -0.56871188 +C 0.00000000 1.38514451 1.83772922 +C 0.00000000 -1.38514451 1.83772922 +H 1.66130504 0.00000000 -3.56414299 +H -1.66130504 0.00000000 -3.56414299 +H 0.00000000 4.16550405 -1.18116624 +H 0.00000000 -4.16550405 -1.18116624 +H 0.00000000 2.54514584 3.51352303 +H 0.00000000 -2.54514584 3.51352303