 Etot  =   -13055.061842
 Ekin  =    14108.042664
 Ecoul =     5114.219595
 Eenuc =   -32030.841083
 Exc   =     -246.483018
 1s      -2094.758337
 2s       -352.348833
 2p       -312.136138
 3s        -78.966296
 3p        -66.698513
 3d        -51.264473
 4s        -15.546812
 4p        -11.501076
 4d         -6.063848
 4f         -0.128341
 5s         -1.902656
 5p         -0.972445
 6s         -0.146042
