 Etot  =    -3972.763544
 Ekin  =     3969.997044
 Ecoul =     1628.765501
 Eenuc =    -9454.470372
 Exc   =     -117.055717
 1s       -709.479724
 2s        -98.747758
 2p        -91.035924
 3s        -16.926771
 3p        -13.960011
 3d         -8.502621
 4s         -2.482726
 4p         -1.638788
 4d         -0.397187
