seniority/ethylene_cc-pvdz/pes_s2.dat
2022-02-04 20:11:34 +01:00

36 lines
910 B
Plaintext

1.5 -76.99902311
1.6 -77.31953422
1.7 -77.55928894
1.8 -77.73711723
1.9 -77.86740056
2.0 -77.96112213
2.1 -78.02682060
2.2 -78.07101949
2.3 -78.09872198
2.4 -78.11389136
2.5 -78.11962835
2.52053 -78.11987080
2.6 -78.11836704
2.7 -78.11199606
2.8 -78.10195782
2.9 -78.08937096
3.0 -78.07512414
3.1 -78.05987483
3.2 -78.04414313
3.3 -78.02831407
3.4 -78.01270731
3.5 -77.99760762
3.6 -77.98317690
3.7 -77.96954393
3.8 -77.95669727
3.9 -77.94459756
4.0 -77.93321308
4.2 -77.91253103
4.4 -77.89456357
4.6 -77.87923085
4.8 -77.86642181
5.0 -77.85589649
5.2 -77.84735682
5.4 -77.84051191
5.6 -77.83508041