 Etot  =      -54.043484
 Ekin  =       53.787205
 Ecoul =       25.808674
 Eenuc =     -127.509302
 Exc   =       -6.130060
 1sP       -14.010000
 2sP        -0.676677
 2pM        -0.266623
 2pP        -0.265913
