 Etot  =     -678.037702
 Ekin  =      681.386551
 Ecoul =      281.157598
 Eenuc =    -1606.878876
 Exc   =      -33.702976
 1s       -144.683280
 2s        -15.420705
 2p        -12.548122
 3s         -1.975458
 3p         -1.283452
 4s         -0.336768
