#     CAS             PBE           PBEot 
1.0 -4.24259832
1.2 -4.97465091 -0.1084160581 -0.1055674083
1.4 -5.32983890 -0.1022906978 -0.0998842791
1.6 -5.48276244 -0.0950842160 -0.0933542988
1.8 -5.52711111 -0.0877582725 -0.0867557818
2.0 -5.51340997 -0.0804626264 -0.0801694630
2.4 -5.41255462 -0.0659199776 -0.0668496892
2.8 -5.29140903 -0.0513959328 -0.0532062093
3.2 -5.18814746 -0.0374540879 -0.0397577240
3.6 -5.11305595 -0.0252383678 -0.0276457871