 Etot  =    -4039.686653
 Ekin  =     4154.879860
 Ecoul =     1655.771331
 Eenuc =    -9735.947166
 Exc   =     -114.390678
 1s       -724.561105
 2s       -102.465419
 2p        -91.766918
 3s        -17.425135
 3p        -13.903673
 3d         -8.132820
 4s         -2.360934
 4p         -1.416266
 4d         -0.144960
 5s         -0.158226
