 Etot  =    -2255.384680
 Ekin  =     2301.196844
 Ecoul =      955.896639
 Eenuc =    -5434.372405
 Exc   =      -78.105758
 1sP      -428.745408
 2sP       -54.754681
 2pM       -49.053697
 2pP       -47.719476
 3sP        -7.305043
 3pM        -5.380372
 3pP        -5.196132
 3dM        -1.879930
 3dP        -1.853082
 4sP        -0.866163
 4pM        -0.506070
 4pP        -0.493406
