 Etot  =     -758.679275
 Ekin  =      757.525200
 Ecoul =      318.555762
 Eenuc =    -1797.853811
 Exc   =      -36.906426
 1s       -160.184109
 2s        -17.206464
 2p        -14.240006
 3s         -1.988378
 3p         -1.233165
 3d         -0.131080
 4s         -0.156478
