 Etot  =   -20235.119571
 Ekin  =    23360.740646
 Ecoul =     7818.328695
 Eenuc =   -51086.656534
 Exc   =     -327.532378
 1sP     -3119.117072
 2sP      -555.750848
 2pM      -533.787488
 2pP      -458.914002
 3sP      -132.916883
 3pM      -122.964937
 3pP      -106.300791
 3dM       -89.829232
 3dP       -86.249591
 4sP       -29.845007
 4pM       -25.548965
 4pP       -21.486077
 4dM       -14.454491
 4dP       -13.692510
 4fM        -4.572204
 4fP        -4.403221
 5sP        -5.059162
 5pM        -3.609391
 5pP        -2.865974
 5dM        -0.895707
 5dP        -0.814224
 6sP        -0.611066
