 Etot  =     -241.100595
 Ekin  =      240.465904
 Ecoul =      108.891108
 Eenuc =     -573.202596
 Exc   =      -17.255011
 1s        -55.469346
 2s         -4.242354
 2p         -2.871962
 3s         -0.547211
