 Etot  =    -2255.727328
 Ekin  =     2301.515332
 Ecoul =      967.480227
 Eenuc =    -5446.352337
 Exc   =      -78.370550
 1sP      -428.380950
 2sP       -54.393306
 2pM       -48.691835
 2pP       -47.357671
 3sP        -6.944655
 3pM        -5.020028
 3pP        -4.835819
 3dM        -1.520434
 3dP        -1.493623
 4sP        -0.539069
 4pM        -0.203336
 4pP        -0.192988
