 Etot  =    -2093.678830
 Ekin  =     2127.004816
 Ecoul =      890.920053
 Eenuc =    -5037.312348
 Exc   =      -74.291351
 1s       -401.140497
 2s        -50.541761
 2p        -44.300660
 3s         -6.482999
 3p         -4.569137
 3d         -1.420815
 4s         -0.739310
 4p         -0.421476
