 Etot  =    -2784.199238
 Ekin  =     2852.569866
 Ecoul =     1181.732417
 Eenuc =    -6728.329838
 Exc   =      -90.171683
 1sP      -517.456410
 2sP       -68.209637
 2pM       -61.753188
 2pP       -59.789712
 3sP        -9.639319
 3pM        -7.347319
 3pP        -7.057577
 3dM        -3.032140
 3dP        -2.984281
 4sP        -0.851373
 4pM        -0.361325
 4pP        -0.337423
