seniority/H8_cc-pvdz/pes_orbital_energy_19.dat

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2022-01-28 20:46:59 +01:00
1.0 1.39514
1.1 1.36812
1.2 1.34446
1.3 1.32405
1.4 1.30704
1.5 1.29344
1.6 1.28329
1.7 1.21004
1.75 1.16054
1.8 1.16349
1.85 1.16682
1.9 1.17058
1.95 1.17482
2.0 1.17955
2.05 1.18479
2.1 1.19056
2.15 1.19684
2.2 1.20364
2.25 1.21092
2.3 1.21866
2.4 1.22406
2.5 1.20700
2.6 1.22891
2.7 1.25142
2.8 1.27401
2.9 1.29615
3.0 1.31739
3.1 1.33735
3.2 1.35575
3.3 1.37241
3.4 1.38723
3.5 1.40022
3.6 1.41141
3.7 1.42092
3.8 1.42889
3.9 1.43547
4.0 1.44082
4.1 1.44511
4.2 1.44851
4.3 1.45115
4.4 1.45318
4.5 1.45471
4.6 1.45584
4.7 1.45666
4.8 1.45725
4.9 1.45766
5.0 1.45795
5.1 1.45815
5.2 1.45830
5.3 1.45841
5.4 1.45851
5.5 1.45861
5.6 1.45872
5.7 1.45885
5.8 1.45899
5.9 1.45915
6.0 1.45934
6.1 1.45954
6.2 1.45977
6.3 1.46001
6.4 1.46027
6.5 1.46054
6.6 1.46082
6.7 1.46112
6.8 1.46142
6.9 1.46173
7.0 1.46204
7.5 1.46357
8.0 1.46490
8.5 1.46592
9.0 1.46675
9.5 1.46737
10.0 1.46780