 Etot  =   -16801.363514
 Ekin  =    16795.503192
 Ecoul =     6718.792056
 Eenuc =   -39996.578048
 Exc   =     -319.080714
 1s      -2544.048487
 2s       -422.445135
 2p       -405.812618
 3s        -98.209130
 3p        -90.394472
 3d        -75.770936
 4s        -20.580461
 4p        -17.252738
 4d        -11.142708
 4f         -3.024451
 5s         -3.195828
 5p         -2.170196
 5d         -0.617731
 6s         -0.437155
