 Etot  =     -600.208027
 Ekin  =      602.687891
 Ecoul =      258.123548
 Eenuc =    -1429.606938
 Exc   =      -31.412527
 1s       -128.794320
 2s        -12.927874
 2p        -10.284902
 3s         -1.291669
 3p         -0.692545
 4s         -0.089123
