 Etot  =   -19610.685763
 Ekin  =    22542.379457
 Ecoul =     7623.259953
 Eenuc =   -49454.730395
 Exc   =     -321.594778
 1sP     -3029.900293
 2sP      -537.186737
 2pM      -515.707614
 2pP      -445.096377
 3sP      -127.530438
 3pM      -117.807774
 3pP      -102.150248
 3dM       -86.000958
 3dP       -82.626504
 4sP       -28.009753
 4pM       -23.832949
 4pP       -20.041059
 4dM       -13.193867
 4dP       -12.483256
 4fM        -3.630123
 4fP        -3.476034
 5sP        -4.323437
 5pM        -2.937372
 5pP        -2.265133
 5dM        -0.413653
 5dP        -0.345891
 6sP        -0.260888
