 Etot  =    -5581.934171
 Ekin  =     5792.862560
 Ecoul =     2246.887349
 Eenuc =   -13480.114138
 Exc   =     -141.569943
 1s       -969.638063
 2s       -144.424186
 2p       -129.847454
 3s        -27.174297
 3p        -22.371008
 3d        -14.799329
 4s         -4.204337
 4p         -2.785474
 4d         -0.763423
 5s         -0.493257
