 Etot  =    -1389.695823
 Ekin  =     1407.710690
 Ecoul =      592.105098
 Eenuc =    -3333.731437
 Exc   =      -55.780174
 1sP      -277.615154
 2sP       -32.891432
 2pM       -28.598003
 2pP       -28.056780
 3sP        -3.734790
 3pM        -2.450567
 3pP        -2.382256
 3dM        -0.316173
 3dP        -0.309066
 4sP        -0.208137
