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
CAP integrals
2024-04-22 15:35:15 +02:00
H 0.0000 0.0000 -0.37500000
H 0.0000 0.0000 0.37500000
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