 Etot  =    -1650.910397
 Ekin  =     1676.025731
 Ecoul =      717.548365
 Eenuc =    -3980.987851
 Exc   =      -63.496642
 1sP      -323.589541
 2sP       -38.870310
 2pM       -34.125121
 2pP       -33.376885
 3sP        -4.182775
 3pM        -2.706483
 3pP        -2.611527
 3dM        -0.202240
 3dP        -0.192273
 4sP        -0.178039
