 Etot  =   -17811.975214
 Ekin  =    20225.268916
 Ecoul =     6927.331004
 Eenuc =   -44662.182862
 Exc   =     -302.392272
 1sP     -2774.249131
 2sP      -485.790984
 2pM      -465.703592
 2pP      -406.672243
 3sP      -113.900672
 3pM      -104.843085
 3pP       -91.904661
 3dM       -76.708209
 3dP       -73.896123
 4sP       -24.508919
 4pM       -20.677768
 4pP       -17.607251
 4dM       -11.302914
 4dP       -10.730028
 4fM        -2.674812
 4fP        -2.560091
 5sP        -3.893127
 5pM        -2.683109
 5pP        -2.183552
 5dM        -0.602168
 5dP        -0.555408
 6sP        -0.509300
