 Etot  =     -199.086609
 Ekin  =      198.995445
 Ecoul =       92.002402
 Eenuc =     -474.877417
 Exc   =      -15.207038
 1sP       -46.342401
 2sP        -3.246338
 2pM        -2.058429
 2pP        -2.047806
 3sP        -0.423225
