 Etot  =    -1260.768153
 Ekin  =     1259.247360
 Ecoul =      527.351726
 Eenuc =    -2994.703361
 Exc   =      -52.663879
 1s       -254.541887
 2s        -29.874692
 2p        -25.862189
 3s         -3.674965
 3p         -2.502105
 3d         -0.606271
 4s         -0.457647
