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LCPQ
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qp2
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https://github.com/QuantumPackage/qp2.git
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qp2
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tests
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co2.xyz
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CO2 Geo: Experiment Mult: 1 symmetry: 22
C 0.0 0.0 0.0
O 0.0 0.0 1.1621
O 0.0 0.0 -1.1621
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