seniority/H8_cc-pvdz/pes_orbital_energy_4.dat

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2022-01-28 20:46:59 +01:00
1.0 -0.22189
1.1 -0.25362
1.2 -0.27957
1.3 -0.30060
1.4 -0.31730
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1.75 -0.35096
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2.0 -0.36020
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2.25 -0.36275
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2.6 -0.36040
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3.0 -0.35390
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3.4 -0.34582
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4.0 -0.33316
4.1 -0.33112
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4.4 -0.32520
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4.6 -0.32147
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5.1 -0.31290
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6.0 -0.30006
6.1 -0.29881
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8.0 -0.28001
8.5 -0.27632
9.0 -0.27303
9.5 -0.27009
10.0 -0.26745