 Etot  =   -17812.347935
 Ekin  =    20225.779392
 Ecoul =     6950.774432
 Eenuc =   -44686.284140
 Exc   =     -302.617619
 1sP     -2773.939780
 2sP      -485.484666
 2pM      -465.397055
 2pP      -406.365923
 3sP      -113.594039
 3pM      -104.536469
 3pP       -91.598032
 3dM       -76.401812
 3dP       -73.589708
 4sP       -24.202102
 4pM       -20.370964
 4pP       -17.300452
 4dM       -10.996190
 4dP       -10.423310
 4fM        -2.368077
 4fP        -2.253353
 5sP        -3.585922
 5pM        -2.375491
 5pP        -1.875568
 5dM        -0.299648
 5dP        -0.254380
 6sP        -0.240952
