 Etot  =    -3536.737751
 Ekin  =     3534.124210
 Ecoul =     1464.236106
 Eenuc =    -8426.900586
 Exc   =     -108.197480
 1s       -639.292236
 2s        -87.237062
 2p        -80.010043
 3s        -14.230432
 3p        -11.514415
 3d         -6.544643
 4s         -1.918971
 4p         -1.186597
 4d         -0.150673
 5s         -0.162391
