 Etot  =    -4935.368406
 Ekin  =     4932.234516
 Ecoul =     2031.645838
 Eenuc =   -11762.875805
 Exc   =     -136.372955
 1s       -860.134909
 2s       -123.105078
 2p       -114.408286
 3s        -22.060898
 3p        -18.580798
 3d        -12.132197
 4s         -2.889173
 4p         -1.815215
 4d         -0.160771
