 Etot  =    -1047.476660
 Ekin  =     1057.716659
 Ecoul =      437.597234
 Eenuc =    -2497.165183
 Exc   =      -45.625369
 1sP      -215.290079
 2sP       -24.657619
 2pM       -21.028764
 2pP       -20.712813
 3sP        -2.957299
 3pM        -1.950848
 3pP        -1.913427
 3dM        -0.375449
 3dP        -0.372476
