 Etot  =     -526.925158
 Ekin  =      529.159434
 Ecoul =      223.540133
 Eenuc =    -1250.984964
 Exc   =      -28.639761
 1sP      -114.597712
 2sP       -11.370318
 2pM        -9.007099
 2pP        -8.925325
 3sP        -1.345128
 3pM        -0.821030
 3pP        -0.813594
