 Etot  =    -2232.534978
 Ekin  =     2230.434545
 Ecoul =      960.716547
 Eenuc =    -5344.042750
 Exc   =      -79.643321
 1s       -423.336658
 2s        -53.093086
 2p        -47.527869
 3s         -6.730755
 3p         -4.851725
 3d         -1.542767
 4s         -0.523670
 4p         -0.197497
