seniority/N2_cc-pvdz/pes_orbital_energy_4.dat

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2021-04-26 13:45:27 +02:00
0.7 -0.87188
0.75 -0.82371
0.8 -0.78143
0.85 -0.74397
0.9 -0.71058
0.95 -0.72311
1.0 -0.74107
1.05 -0.75830
1.1 -0.77485
1.15 -0.79077
1.2 -0.80609
1.3 -0.83501
1.4 -0.86162
1.5 -0.88573
1.6 -0.90712
1.7 -0.92570
1.8 -0.94153
1.9 -0.95478
2.0 -0.96574
2.1 -0.97471
2.2 -0.98201
2.3 -0.98792
2.4 -0.99272
2.5 -0.99660
2.6 -0.99974
2.7 -1.00224
2.8 -1.00422
2.9 -1.00572
3.0 -1.00682
3.1 -1.00756
3.2 -1.00801
3.3 -1.00820
3.4 -1.00820
3.5 -1.00805
3.6 -1.00780
3.7 -1.00750
3.8 -1.00718
3.9 -1.00686
4.0 -1.00655