 Etot  =     -600.211193
 Ekin  =      603.251432
 Ecoul =      258.181811
 Eenuc =    -1430.221810
 Exc   =      -31.422626
 1sP      -128.777290
 2sP       -12.925726
 2pM       -10.353198
 2pP       -10.247484
 3sP        -1.291541
 3pM        -0.699110
 3pP        -0.689160
 4sP        -0.089121
