 Etot  =    -2750.147940
 Ekin  =     2747.813142
 Ecoul =     1171.723688
 Eenuc =    -6577.865761
 Exc   =      -91.819009
 1s       -509.982989
 2s        -66.285953
 2p        -60.017328
 3s         -9.315192
 3p         -7.086634
 3d         -3.074109
 4s         -0.820574
 4p         -0.346340
