 Etot  =    -3329.271533
 Ekin  =     3326.758539
 Ecoul =     1371.080579
 Eenuc =    -7923.484849
 Exc   =     -103.625803
 1s       -605.987944
 2s        -82.152632
 2p        -75.166067
 3s        -13.352295
 3p        -10.760041
 3d         -6.032290
 4s         -2.043541
 4p         -1.363796
 5s         -0.380036
