 Etot  =    -2974.364385
 Ekin  =     3039.158922
 Ecoul =     1241.814968
 Eenuc =    -7161.583239
 Exc   =      -93.755036
 1s       -549.844591
 2s        -73.720399
 2p        -65.501427
 3s        -11.102926
 3p         -8.456051
 3d         -4.047150
 4s         -1.386337
 4p         -0.800825
