 Etot  =     -459.363852
 Ekin  =      460.936867
 Ecoul =      195.801115
 Eenuc =    -1090.003631
 Exc   =      -26.098203
 1sP      -101.056827
 2sP        -9.708419
 2pM        -7.550611
 2pP        -7.488471
 3sP        -1.177380
 3pM        -0.720614
 3pP        -0.715255
