 Etot  =    -4275.837375
 Ekin  =     4404.016895
 Ecoul =     1731.870590
 Eenuc =   -10293.290716
 Exc   =     -118.434144
 1s       -763.044733
 2s       -109.246508
 2p        -97.977542
 3s        -19.245406
 3p        -15.529684
 3d         -9.472991
 4s         -2.970408
 4p         -1.947371
 4d         -0.526521
 5s         -0.429861
