 Etot  =    -1047.738289
 Ekin  =     1057.972206
 Ecoul =      443.665838
 Eenuc =    -2503.620900
 Exc   =      -45.755433
 1sP      -215.028330
 2sP       -24.405800
 2pM       -20.776016
 2pP       -20.460135
 3sP        -2.697331
 3pM        -1.689735
 3pP        -1.652130
 3dM        -0.117045
 3dP        -0.114177
 4sP        -0.153614
