 Etot  =    -2424.163549
 Ekin  =     2476.740243
 Ecoul =     1023.153208
 Eenuc =    -5842.128864
 Exc   =      -81.928136
 1sP      -457.466166
 2sP       -59.187515
 2pM       -53.238425
 2pP       -51.714729
 3sP        -8.179972
 3pM        -6.135214
 3pP        -5.919935
 3dM        -2.368800
 3dP        -2.335858
 4sP        -0.993561
 4pM        -0.583938
 4pP        -0.567236
