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