 Etot  =   -13387.820814
 Ekin  =    13382.597446
 Ecoul =     5376.825175
 Eenuc =   -31874.969184
 Exc   =     -272.274251
 1s      -2084.308883
 2s       -338.217756
 2p       -323.417108
 3s        -75.714688
 3p        -68.936746
 3d        -56.264492
 4s        -14.550578
 4p        -11.796784
 4d         -6.813576
 5s         -1.923072
 5p         -1.204182
 4f         -0.525040
 6s         -0.322487
