mirror of
https://github.com/pfloos/quack
synced 2024-11-03 20:53:53 +01:00
14 lines
754 B
Plaintext
14 lines
754 B
Plaintext
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12
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Isobutene,^1A_1,CC3,aug-cc-pVTZ
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C 0.00000000 0.00000000 1.43296298
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C 0.00000000 0.00000000 0.09753414
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C 0.00000000 1.26946740 -0.70106844
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C 0.00000000 -1.26946740 -0.70106844
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H 0.00000000 0.92525791 1.99336457
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H 0.00000000 -0.92525791 1.99336457
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H 0.00000000 2.14791527 -0.05599757
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H 0.00000000 -2.14791527 -0.05599757
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H 0.87857701 1.31414761 -1.34985792
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H -0.87857701 1.31414761 -1.34985792
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H 0.87857701 -1.31414761 -1.34985792
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H -0.87857701 -1.31414761 -1.34985792
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