 Etot  =    -3172.182346
 Ekin  =     3245.364798
 Ecoul =     1311.913856
 Eenuc =    -7631.906689
 Exc   =      -97.554311
 1s       -582.880823
 2s        -79.225880
 2p        -70.555274
 3s        -12.435508
 3p         -9.625704
 3d         -4.953294
 4s         -1.736522
 4p         -1.073816
 5s         -0.315081
