 Etot  =    -2600.688476
 Ekin  =     2660.747180
 Ecoul =     1107.315080
 Eenuc =    -6282.590113
 Exc   =      -86.160623
 1sP      -486.764820
 2sP       -63.404618
 2pM       -57.203337
 2pP       -55.470409
 3sP        -8.691849
 3pM        -6.524625
 3pP        -6.274331
 3dM        -2.487192
 3dP        -2.447301
 4sP        -0.745008
 4pM        -0.306775
 4pP        -0.288098
