From 9d046e1f01c91b1b83d9ff344e114b62c5cac91d Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Micka=C3=ABl=20V=C3=A9ril?= Date: Mon, 28 Sep 2020 10:36:11 +0200 Subject: [PATCH] Fix hydrogen_sulfide.xyz missing --- static/data/structures/QUEST1/hydrogen_sulfide.xyz | 5 +++++ 1 file changed, 5 insertions(+) create mode 100644 static/data/structures/QUEST1/hydrogen_sulfide.xyz diff --git a/static/data/structures/QUEST1/hydrogen_sulfide.xyz b/static/data/structures/QUEST1/hydrogen_sulfide.xyz new file mode 100644 index 00000000..8c3b832c --- /dev/null +++ b/static/data/structures/QUEST1/hydrogen_sulfide.xyz @@ -0,0 +1,5 @@ +3 +Hydrogen sulfide,^1A_1,CC3,aug-cc-pVTZ +S 0.00000000 0.00000000 -0.26652056 +H 0.00000000 0.96219289 0.66259489 +H 0.00000000 -0.96219289 0.66259489 \ No newline at end of file