sfBSE/output/cbutadiene/cbutadiene_square.xyz
2020-12-09 08:31:57 +01:00

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C 0.000000 0.000000 1.439000
C 1.439000 0.000000 1.439000
C 1.439000 0.000000 0.000000
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H 2.197726 0.000000 -0.758726
H -0.758726 0.000000 2.197726