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H8C8ThC8H8.in
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37 lines (37 loc) · 1.52 KB
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$molecule
unit=b
cartesian
90 -0.00000015 -0.00000067 0.00000086
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6 -3.23542790 -1.34015239 3.83722713
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6 -1.34014872 -3.23539186 3.83723100
6 1.34014860 3.23539198 3.83723013
6 1.34015257 -3.23542817 3.83722686
6 3.23542773 1.34015246 3.83722628
6 3.23539184 -1.34014864 3.83723096
1 -5.13909600 2.12867661 3.62865884
1 -5.13912122 -2.12869734 3.62865184
1 -2.12869715 5.13912184 3.62865068
1 -2.12867702 -5.13909611 3.62865888
1 2.12867660 5.13909629 3.62865747
1 2.12869740 -5.13912160 3.62865142
1 5.13912104 2.12869721 3.62865014
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1 -2.12869533 5.13912223 -3.62865053
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1 2.12867844 5.13909564 -3.62865826
1 2.12869573 -5.13912211 -3.62865182
1 5.13912265 2.12869534 -3.62865019
1 5.13909576 -2.12867887 -3.62865902
$end