 Etot  =    -2073.807332
 Ekin  =     2071.782093
 Ecoul =      895.945638
 Eenuc =    -4965.789424
 Exc   =      -75.745640
 1s       -396.292991
 2s        -49.055282
 2p        -43.720129
 3s         -5.961472
 3p         -4.194822
 3d         -1.117316
 4s         -0.426523
 4p         -0.149882
