mirror of https://github.com/pfloos/quack
10 lines
521 B
Plaintext
10 lines
521 B
Plaintext
8
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Streptocyanine-C1,^1A_1,CC3,aug-cc-pVTZ
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C 0.00000000 0.00000000 0.42592856
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N 0.00000000 1.16113896 -0.17770068
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N 0.00000000 -1.16113896 -0.17770068
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H 0.00000000 0.00000000 1.50517557
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H 0.00000000 1.25403524 -1.18203359
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H 0.00000000 -1.25403524 -1.18203359
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H 0.00000000 2.00776527 0.36724478
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H 0.00000000 -2.00776527 0.36724478 |