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quack/input/molecule.xyz

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new basis
2020-06-04 13:08:31 +02:00
1
examples
2020-01-17 17:35:40 +01:00
new basis
2020-06-04 13:08:31 +02:00
Be 0.0000000000 0.0000000000 0.0000000000
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