 Etot  =   -10003.863756
 Ekin  =    10783.616266
 Ecoul =     3889.128004
 Eenuc =   -24470.563306
 Exc   =     -206.044719
 1sP     -1642.605146
 2sP      -267.311711
 2pM      -253.430803
 2pP      -233.064205
 3sP       -58.303761
 3pM       -52.298933
 3pP       -48.201620
 3dM       -37.683353
 3dP       -36.790639
 4sP       -11.572384
 4pM        -9.281403
 4pP        -8.380878
 4dM        -4.593961
 4dP        -4.433248
 4fM        -0.100204
 4fP        -0.082819
 5sP        -1.534848
 5pM        -0.919260
 5pP        -0.798363
 6sP        -0.134772
