LCPQ/quack
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quack/mol/H2.xyz

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additional geometries
2024-01-18 22:31:16 +01:00
2
debugging AC@BSE
2024-09-09 20:49:35 +02:00
H 0.00000000 0.0 0.0
H 0.00000000 0.0 0.74031892
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