 Etot  =    -1155.294212
 Ekin  =     1167.790159
 Ecoul =      487.295552
 Eenuc =    -2761.529143
 Exc   =      -48.850780
 1sP      -235.084990
 2sP       -27.218209
 2pM       -23.368254
 2pP       -22.987357
 3sP        -3.132090
 3pM        -2.031944
 3pP        -1.985020
 3dM        -0.261069
 3dP        -0.256699
 4sP        -0.193818
