 Etot  =    -3377.438820
 Ekin  =     3459.819803
 Ecoul =     1384.264274
 Eenuc =    -8120.111887
 Exc   =     -101.411010
 1s       -616.965719
 2s        -84.959611
 2p        -75.816114
 3s        -13.838714
 3p        -10.860217
 3d         -5.920573
 4s         -2.102294
 4p         -1.361308
 5s         -0.385433
