#     CAS             PBE           PBEot 
1.0 -4.09406626 -0.1197381306 -0.1157706063
1.2 -4.90238873 -0.1104394334 -0.1074978027
1.4 -5.28923492 -0.1026119574 -0.1003624358
1.6 -5.45845065 -0.0951330656 -0.0935644471
1.8 -5.51150040 -0.0877609915 -0.0868848872
2.0 -5.50222752 -0.0804680080 -0.0802637627
2.4 -5.40456994 -0.0658685319 -0.0668485214
2.8 -5.28386799 -0.0510397238 -0.0529316806
3.2 -5.18053543 -0.0368359046 -0.0392550484
3.6 -5.10557127 -0.0246427178 -0.0271513077
100.0 -4.9927840341958465 0.   0.