 Etot  =     -851.162463
 Ekin  =      857.825375
 Ecoul =      356.620978
 Eenuc =    -2026.150639
 Exc   =      -39.458177
 1sP      -178.025322
 2sP       -19.642824
 2pM       -16.439503
 2pP       -16.228623
 3sP        -2.284637
 3pM        -1.441054
 3pP        -1.416663
 3dM        -0.165803
 3dP        -0.164085
 4sP        -0.168574
