seniority/N2_cc-pvdz/pes_orbital_energy_20.dat

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2021-04-26 13:45:27 +02:00
0.7 2.41223
0.75 2.29027
0.8 2.17030
0.85 2.05532
0.9 1.94798
0.95 1.85116
1.0 1.76743
1.05 1.74236
1.1 1.75815
1.15 1.77496
1.2 1.79190
1.3 1.73334
1.4 1.70489
1.5 1.70440
1.6 1.72636
1.7 1.76301
1.8 1.80625
1.9 1.84928
2.0 1.88754
2.1 1.91877
2.2 1.94255
2.3 1.95960
2.4 1.97123
2.5 1.97881
2.6 1.98358
2.7 1.98654
2.8 1.98839
2.9 1.98962
3.0 1.99047
3.1 1.99124
3.2 1.99206
3.3 1.99290
3.4 1.99371
3.5 1.99452
3.6 1.99534
3.7 1.99613
3.8 1.99687
3.9 1.99756
4.0 1.99818