#     CAS             PBE           PBEot 
1.2 -4.97001274 -0.1087730209 -0.1058457759
1.4 -5.32693837 -0.1025760845 -0.1001019855
1.6 -5.48036421 -0.0954315163 -0.0936238230
1.8 -5.52490948 -0.0881651800 -0.0870746920
2.0 -5.51142860 -0.0808112129 -0.0804422322
2.4 -5.41092251 -0.0660691984 -0.0669572615
2.8 -5.28989198 -0.0513868326 -0.0531847525
3.2 -5.18668786 -0.0373388123 -0.0396472640
3.6 -5.11162080 -0.0250945864 -0.0275112662
100.0 -4.998098113018433 0. 0.