diff --git a/static/data/structures/QUEST2/pyrazine.xyz b/static/data/structures/QUEST2/pyrazine.xyz index c797f2f6..778f6e68 100644 --- a/static/data/structures/QUEST2/pyrazine.xyz +++ b/static/data/structures/QUEST2/pyrazine.xyz @@ -1,5 +1,5 @@ 10 -Pyrazine,^1A_g,,CC3,aug-cc-pVTZ +Pyrazine,^1A_g,CC3,aug-cc-pVTZ N -1.41089287 0.00000000 0.00000000 N 1.41089287 0.00000000 0.00000000 C -0.69592552 1.12814594 0.00000000 diff --git a/static/data/structures/QUEST4/con.xyz b/static/data/structures/QUEST4/con.xyz index 4a3161e7..e38300af 100644 --- a/static/data/structures/QUEST4/con.xyz +++ b/static/data/structures/QUEST4/con.xyz @@ -1,5 +1,5 @@ 3 -\ce{CON},,CC3,aug-cc-pVTZ +\ce{CON},CC3,aug-cc-pVTZ C 0.00000000 0.00000000 -1.29152344 O 0.00000000 0.00000000 -0.10824635 N 0.00000000 0.00000000 1.23042072 \ No newline at end of file