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qp2/plugins/local/fci_tc_bi/scripts_fci_tc/h2o.xyz

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2023-02-07 17:28:11 +01:00
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O 0.000000 0.000000 0.000000
H 0.000000 0.000000 0.957200
H -0.926627 0.000000 -0.239987