 Etot  =   -20872.887097
 Ekin  =    24203.982259
 Ecoul =     8060.985186
 Eenuc =   -52804.004616
 Exc   =     -333.849926
 1sP     -3209.559491
 2sP      -574.220773
 2pM      -551.761782
 2pP      -472.409787
 3sP      -137.902276
 3pM      -127.717013
 3pP      -109.992083
 3dM       -93.196164
 3dP       -89.401978
 4sP       -31.188199
 4pM       -26.770858
 4pP       -22.420348
 4dM       -15.202782
 4dP       -14.386516
 4fM        -4.998502
 4fP        -4.813673
 5sP        -5.264036
 5pM        -3.748596
 5pP        -2.927281
 5dM        -0.839121
 5dP        -0.743864
 6sP        -0.448677
 6pM        -0.176692
 6pP        -0.121877
