 Etot  =    -7550.557710
 Ekin  =     7546.734488
 Ecoul =     2988.242134
 Eenuc =   -17904.906060
 Exc   =     -180.628271
 1s      -1256.738791
 2s       -191.981873
 2p       -180.995344
 3s        -39.851584
 3p        -35.166423
 3d        -26.418398
 4s         -7.455966
 4p         -5.769326
 4d         -2.848386
 5s         -0.915819
 5p         -0.504903
 6s         -0.078699
