13 Benzothiadiazole,^1A_1,CC3,cc-pVTZ S 0.00000000 0.00000000 2.18435019 N 0.00000000 1.25941513 1.14722924 N 0.00000000 -1.25941513 1.14722924 C 0.00000000 0.71684770 -0.07985743 C 0.00000000 -0.71684770 -0.07985743 C 0.00000000 1.43200021 -1.30495026 C 0.00000000 -1.43200021 -1.30495026 C 0.00000000 0.71420165 -2.46823996 C 0.00000000 -0.71420165 -2.46823996 H 0.00000000 2.50857126 -1.29635924 H 0.00000000 -2.50857126 -1.29635924 H 0.00000000 1.23108256 -3.41404520 H 0.00000000 -1.23108256 -3.41404520