SUMMARY OF AM1 CALCULATION, Site No: 6211 MOPAC2012 (Version: 12.310L) Wed Dec 5 13:34:54 2012 No. of days left = 336 Empirical Formula: Eu Cl3 = 4 atoms AM1 SPARKLE XYZ AUX GNORM=0.25 CHARGE=0 Singlet LET DDMIN=0.0 GEOMETRY OPTIMISED USING EIGENVECTOR FOLLOWING (EF). SCF FIELD WAS ACHIEVED HEAT OF FORMATION = -1024.12530 KCAL/MOL = -4284.94027 KJ/MOL TOTAL ENERGY = -1164.77698 EV ELECTRONIC ENERGY = -6277.67001 EV CORE-CORE REPULSION = 5112.89302 EV GRADIENT NORM = 0.05495 NO. OF FILLED LEVELS = 12 IONIZATION POTENTIAL = 12.675167 EV HOMO LUMO ENERGIES (EV) = -12.675 MOLECULAR WEIGHT = 258.323 MOLECULAR DIMENSIONS (Angstroms) Atom Atom Distance Cl 4 Cl 3 3.99759 Cl 3 Cl 2 3.44559 Eu 1 Cl 2 0.00000 SCF CALCULATIONS = 6 COMPUTATION TIME = 0.025 SECONDS FINAL GEOMETRY OBTAINED CHARGE AM1 SPARKLE XYZ AUX GNORM=0.25 CHARGE=0 Singlet LET DDMIN=0.0 Eu 0.00000000 +0 0.00000000 +0 0.00000000 +0 3.0000 Cl 2.31291176 +1 0.00000000 +0 0.00000000 +0 -1.0000 Cl -1.13215553 +1 1.99915982 +0 0.00000000 +0 -1.0000 Cl -1.13319787 +1 -1.99843319 +0 0.00000000 +0 -1.0000 Tv 5.96447067 +1 0.00000000 +0 0.00000000 +0