 Etot  =     -241.669323
 Ekin  =      241.729117
 Ecoul =      112.827267
 Eenuc =     -578.851985
 Exc   =      -17.373722
 1sP       -55.203760
 2sP        -3.947002
 2pM        -2.572513
 2pP        -2.556326
 3sP        -0.287574
 3pM        -0.102724
 3pP        -0.102099
