 Etot  =    -4521.545440
 Ekin  =     4693.065137
 Ecoul =     1846.844764
 Eenuc =   -10938.009162
 Exc   =     -123.446179
 1sP      -801.355841
 2sP      -115.348068
 2pM      -106.750607
 2pP      -101.979903
 3sP       -20.300869
 3pM       -16.941526
 3pP       -16.131035
 3dM       -10.135962
 3dP        -9.977303
 4sP        -2.799086
 4pM        -1.792655
 4pP        -1.667074
 4dM        -0.206292
 4dP        -0.194378
 5sP        -0.165124
