 Etot  =    -3973.013235
 Ekin  =     3970.231601
 Ecoul =     1638.977454
 Eenuc =    -9465.024542
 Exc   =     -117.197748
 1s       -709.232119
 2s        -98.503638
 2p        -90.791541
 3s        -16.681545
 3p        -13.714810
 3d         -8.257721
 4s         -2.234824
 4p         -1.390050
 4d         -0.153347
 5s         -0.147880
