 Etot  =     -761.836473
 Ekin  =      767.085779
 Ecoul =      319.734188
 Eenuc =    -1812.061408
 Exc   =      -36.595031
 1sP      -160.779385
 2sP       -17.351551
 2pM       -14.359346
 2pP       -14.189749
 3sP        -2.007904
 3pM        -1.245827
 3pP        -1.226899
 3dM        -0.127263
 3dP        -0.126132
 4sP        -0.157538
