mirror of https://github.com/pfloos/quack
11 lines
573 B
Plaintext
11 lines
573 B
Plaintext
9
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Thiophene,^1A_1,CC3,aug-cc-pVTZ
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C 0.00000000 1.23479556 -0.05216852
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C 0.00000000 -1.23479556 -0.05216852
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C 0.00000000 0.71106451 -1.31393498
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C 0.00000000 -0.71106451 -1.31393498
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S 0.00000000 0.00000000 1.14964115
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H 0.00000000 2.27031849 0.23589289
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H 0.00000000 -2.27031849 0.23589289
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H 0.00000000 1.31638150 -2.20544335
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H 0.00000000 -1.31638150 -2.20544335 |