 Etot  =    -4773.286646
 Ekin  =     4930.701772
 Ecoul =     1932.633819
 Eenuc =   -11508.979248
 Exc   =     -127.642989
 1s       -842.293453
 2s       -122.513942
 2p       -110.019132
 3s        -22.112039
 3p        -17.985747
 3d        -11.339748
 4s         -3.308898
 4p         -2.139768
 4d         -0.509326
