 Etot  =   -13549.258539
 Ekin  =    14952.782514
 Ecoul =     5325.995668
 Eenuc =   -33574.513283
 Exc   =     -253.523438
 1sP     -2161.695703
 2sP      -364.972056
 2pM      -348.208317
 2pP      -312.615471
 3sP       -82.043390
 3pM       -74.605801
 3pP       -67.084276
 3dM       -54.309585
 3dP       -52.656666
 4sP       -16.131024
 4pM       -13.131685
 4pP       -11.425675
 4dM        -6.467966
 4dP        -6.156136
 5sP        -1.954274
 5pM        -1.141668
 5pP        -0.931971
 4fM        -0.151744
 4fP        -0.107642
 6sP        -0.147784
