 Etot  =     -459.877336
 Ekin  =      461.421464
 Ecoul =      203.263193
 Eenuc =    -1098.098008
 Exc   =      -26.463985
 1sP      -100.576188
 2sP        -9.238074
 2pM        -7.078959
 2pP        -7.016887
 3sP        -0.759626
 3pM        -0.322971
 3pP        -0.318316
