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20 lines
1.1 KiB
Plaintext
20 lines
1.1 KiB
Plaintext
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18
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Octatetraene,^1A_g,CC3,cc-pVTZ
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C 0.63315647 0.34288002 0.00000000
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C -0.63315647 -0.34288002 0.00000000
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C 1.82960447 -0.28027717 0.00000000
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C -1.82960447 0.28027717 0.00000000
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C 3.09941759 0.41077696 0.00000000
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C -3.09941759 -0.41077696 0.00000000
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C 4.28911826 -0.21008686 0.00000000
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C -4.28911826 0.21008686 0.00000000
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H 0.60756424 1.42510016 0.00000000
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H -0.60756424 -1.42510016 0.00000000
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H 1.85721281 -1.36229600 0.00000000
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H -1.85721281 1.36229600 0.00000000
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H 3.06377334 1.49139201 0.00000000
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H -3.06377334 -1.49139201 0.00000000
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H 4.35256837 -1.28854704 0.00000000
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H -4.35256837 1.28854704 0.00000000
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H 5.21370282 0.34408654 0.00000000
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H -5.21370282 -0.34408654 0.00000000
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