seniority/N2_cc-pvdz/pes_orbital_energy_8.dat

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2021-04-26 13:45:27 +02:00
0.7 0.42473
0.75 0.39194
0.8 0.35865
0.85 0.32542
0.9 0.29276
0.95 0.26108
1.0 0.23067
1.05 0.20174
1.1 0.17443
1.15 0.14879
1.2 0.12484
1.3 0.08189
1.4 0.04512
1.5 0.01390
1.6 -0.01250
1.7 -0.03480
1.8 -0.05366
1.9 -0.06968
2.0 -0.08333
2.1 -0.09502
2.2 -0.10507
2.3 -0.11378
2.4 -0.12136
2.5 -0.12799
2.6 -0.13382
2.7 -0.13895
2.8 -0.14345
2.9 -0.14739
3.0 -0.15083
3.1 -0.15381
3.2 -0.15639
3.3 -0.15863
3.4 -0.16058
3.5 -0.16229
3.6 -0.16382
3.7 -0.16521
3.8 -0.16650
3.9 -0.16772
4.0 -0.16888