 Etot  =    -1791.440900
 Ekin  =     1820.874392
 Ecoul =      767.921182
 Eenuc =    -4313.261417
 Exc   =      -66.975058
 1sP      -348.598196
 2sP       -42.730214
 2pM       -37.752077
 2pP       -36.880595
 3sP        -5.071726
 3pM        -3.489392
 3pP        -3.376900
 3dM        -0.748226
 3dP        -0.734979
 4sP        -0.526244
