# Output Energies: Core, Semicore, Valence, Pot, Coul, Exch, Kin, Tot -45365.2043808445 -23.7513119426574 -3.00394725319589 -132783.128393951 -158404.639068558 -1297.49337558843 87391.1687539105 -72310.9636902356