 Etot  =    -3750.954755
 Ekin  =     3748.269504
 Ecoul =     1542.005845
 Eenuc =    -8928.663931
 Exc   =     -112.566173
 1s       -673.998766
 2s        -92.973734
 2p        -85.505310
 3s        -15.627561
 3p        -12.786667
 3d         -7.573371
 4s         -2.272741
 4p         -1.486913
 4d         -0.355807
