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