 Etot  =    -2974.774466
 Ekin  =     3052.347490
 Ecoul =     1250.536581
 Eenuc =    -7183.686413
 Exc   =      -93.972124
 1sP      -549.409305
 2sP       -73.465683
 2pM       -66.751268
 2pP       -64.534414
 3sP       -10.882833
 3pM        -8.463932
 3pP        -8.129911
 3dM        -3.864288
 3dP        -3.807347
 4sP        -1.172328
 4pM        -0.611506
 4pP        -0.578647
 5sP        -0.086702
