 Etot  =    -3172.404762
 Ekin  =     3245.575881
 Ecoul =     1320.779520
 Eenuc =    -7641.052032
 Exc   =      -97.708130
 1s       -582.641621
 2s        -78.987134
 2p        -70.316524
 3s        -12.197205
 3p         -9.387429
 3d         -4.715057
 4s         -1.501174
 4p         -0.840231
 5s         -0.133654
