 Etot  =     -678.279346
 Ekin  =      682.333976
 Ecoul =      286.211793
 Eenuc =    -1612.948417
 Exc   =      -33.876698
 1sP      -144.401277
 2sP       -15.158072
 2pM       -12.375249
 2pP       -12.240515
 3sP        -1.719212
 3pM        -1.038068
 3pP        -1.023799
 4sP        -0.141884
