 Etot  =   -13847.987344
 Ekin  =    13842.683775
 Ecoul =     5551.007309
 Eenuc =   -32963.011851
 Exc   =     -278.666577
 1s      -2147.231189
 2s       -349.738581
 2p       -334.678984
 3s        -78.808222
 3p        -71.884672
 3d        -58.939380
 4s        -15.430168
 4p        -12.597823
 4d         -7.460601
 4f         -0.915053
 5s         -2.216157
 5p         -1.449898
 6s         -0.386794
