mirror of https://github.com/pfloos/quack
18 lines
998 B
Plaintext
18 lines
998 B
Plaintext
16
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Streptocyanine-C5,^1A_1,CC3/cc-pVTZ
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C 0.00000000 0.00000000 0.24795892
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C 0.00000000 1.23531029 -0.38408683
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C 0.00000000 -1.23531029 -0.38408683
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C 0.00000000 2.38992520 0.37451764
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C 0.00000000 -2.38992520 0.37451764
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N 0.00000000 3.62239341 -0.10342271
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N 0.00000000 -3.62239341 -0.10342271
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H 0.00000000 0.00000000 1.33181441
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H 0.00000000 1.29625530 -1.46127206
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H 0.00000000 -1.29625530 -1.46127206
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H 0.00000000 2.31129176 1.45253262
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H 0.00000000 -2.31129176 1.45253262
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H 0.00000000 4.41659809 0.51113834
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H 0.00000000 -4.41659809 0.51113834
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H 0.00000000 3.80023786 -1.09357830
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H 0.00000000 -3.80023786 -1.09357830 |