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LCPQ
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quack
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https://github.com/pfloos/quack
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7a1238669d
quack
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mol
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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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