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quack/mol/h2po.xyz

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2020-10-12 14:30:00 +02:00
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\ce{H2PO},^2A^\prime,CC3,aug-cc-pVTZ
P 0.00000000 0.46444181 -0.05297517
O 0.00000000 -1.03672337 0.03017006
H 1.10122600 1.08986752 0.57463978
H -1.10122600 1.08986752 0.57463978