srDFT_SC/new/H10_vdz/data/exact-H10
2019-10-02 18:43:27 +02:00

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164 B
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#R MRCI+Q+F12 : De=.6654 H
1.0 -4.4301
1.2 -5.1506
1.4 -5.4917
1.6 -5.6321
1.8 -5.6654
2.0 -5.6410
2.4 -5.5187
2.8 -5.3753
3.2 -5.2500
3.6 -5.1553
100.0 -5.0000