 Etot  =    -5304.002341
 Ekin  =     5495.678426
 Ecoul =     2143.573484
 Eenuc =   -12806.230418
 Exc   =     -137.023834
 1s       -925.977570
 2s       -136.775336
 2p       -122.927619
 3s        -25.311338
 3p        -20.742439
 3d        -13.484877
 4s         -3.786467
 4p         -2.457382
 4d         -0.585481
