 Etot  =    -1389.419023
 Ekin  =     1404.503249
 Ecoul =      588.537950
 Eenuc =    -3326.653268
 Exc   =      -55.806954
 1s       -277.804337
 2s        -32.993772
 2p        -28.340306
 3s         -3.856636
 3p         -2.532085
 3d         -0.462127
