11 lines
467 B
Plaintext
11 lines
467 B
Plaintext
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# CAS PBE PBEot
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2.30 -198.72979082 -0.3840886108 -0.3549134400
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2.50 -198.76279439 -0.3784241082 -0.3499675110
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2.725 -198.77485854 -0.3734831414 -0.3456852985
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3.00 -198.77449970 -0.3692791841 -0.3420603719
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3.50 -198.76436561 -0.3655231285 -0.3387938925
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4.00 -198.75772952 -0.3645199459 -0.3378215084
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5.00 -198.75405420 -0.3644739650 -0.3375758212
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7.00 -198.75402823 -0.3645540467 -0.3375804612
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10.0 -198.75420956 -0.3645506787 -0.3375773213
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