 Etot  =    -4520.768581
 Ekin  =     4662.961423
 Ecoul =     1844.917123
 Eenuc =   -10905.397430
 Exc   =     -123.249697
 1s       -801.795613
 2s       -115.434678
 2p       -103.567797
 3s        -20.314771
 3p        -16.397573
 3d        -10.048944
 4s         -2.800598
 4p         -1.707262
 4d         -0.199041
 5s         -0.165117
