 Etot  =    -4039.423620
 Ekin  =     4154.617482
 Ecoul =     1645.410813
 Eenuc =    -9725.207485
 Exc   =     -114.244430
 1s       -724.812829
 2s       -102.713076
 2p        -92.014837
 3s        -17.673887
 3p        -14.152407
 3d         -8.381231
 4s         -2.612254
 4p         -1.668646
 4d         -0.392018
