 Etot  =    -5305.191208
 Ekin  =     5537.142540
 Ecoul =     2146.140018
 Eenuc =   -12851.204480
 Exc   =     -137.269286
 1sP      -925.404420
 2sP      -136.659014
 2pM      -127.208076
 2pP      -120.821742
 3sP       -25.291531
 3pM       -21.502242
 3pP       -20.374293
 3dM       -13.609394
 3dP       -13.381150
 4sP        -3.784263
 4pM        -2.585905
 4pP        -2.397825
 4dM        -0.598153
 4dP        -0.577176
