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quack/input/molecule.xyz

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BSE2 debug done
2020-06-02 22:36:56 +02:00
2
examples
2020-01-17 17:35:40 +01:00
BSE2 debug done
2020-06-02 22:36:56 +02:00
C 0.0000000000 0.0000000000 0.0000000000
H 0.0000000000 0.0000000000 1.1309000791
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