 Etot  =   -14795.884202
 Ekin  =    14790.376452
 Ecoul =     5949.357668
 Eenuc =   -35243.460062
 Exc   =     -292.158260
 1s      -2275.371387
 2s       -372.828724
 2p       -357.248334
 3s        -84.658467
 3p        -77.440942
 3d        -63.942521
 4s        -16.713337
 4p        -13.719810
 4d         -8.265848
 4f         -1.199347
 5s         -2.223807
 5p         -1.376530
 5d         -0.182464
 6s         -0.174814
