 Etot  =    -3751.196175
 Ekin  =     3748.496570
 Ecoul =     1551.501122
 Eenuc =    -8938.494135
 Exc   =     -112.699732
 1s       -673.762530
 2s        -92.740860
 2p        -85.272175
 3s        -15.393727
 3p        -12.552855
 3d         -7.339839
 4s         -2.036693
 4p         -1.250049
 4d         -0.125252
 5s         -0.144272
