SUMMARY OF AM1 CALCULATION, Site No: 6211 MOPAC2012 (Version: 12.310L) Fri Nov 30 14:42:55 2012 No. of days left = 341 Empirical Formula: Eu Cl3 = 4 atoms AM1 SPARKLE CHARGE=0 BFGS GNORM=0.25 XYZ AUX Name: MOPAC file created on 23/3 15:18:43 2012 by HYPERCHEM PETERS TEST WAS SATISFIED IN BFGS OPTIMIZATION SCF FIELD WAS ACHIEVED HEAT OF FORMATION = -1012.30901 KCAL/MOL = -4235.50090 KJ/MOL TOTAL ENERGY = -1164.26458 EV ELECTRONIC ENERGY = -2064.74118 EV CORE-CORE REPULSION = 900.47659 EV GRADIENT NORM = 0.06851 DIPOLE = 0.00614 DEBYE POINT GROUP: D3h NO. OF FILLED LEVELS = 12 IONIZATION POTENTIAL = 13.416183 EV HOMO LUMO ENERGIES (EV) = -13.416 MOLECULAR WEIGHT = 258.323 COSMO AREA = 143.68 SQUARE ANGSTROMS COSMO VOLUME = 143.05 CUBIC ANGSTROMS MOLECULAR DIMENSIONS (Angstroms) Atom Atom Distance Cl 3 Cl 2 3.99839 Cl 4 Cl 3 3.46194 Cl 4 Eu 1 0.00003 SCF CALCULATIONS = 23 COMPUTATION TIME = 0.025 SECONDS FINAL GEOMETRY OBTAINED CHARGE AM1 SPARKLE CHARGE=0 BFGS GNORM=0.25 XYZ AUX Name: MOPAC file created on 23/3 15:18:43 2012 by HYPERCHEM Eu 0.34582728 +1 0.00372042 +1 -0.00001580 +1 3.0000 Cl 2.65347083 +1 0.05617686 +1 -0.00156430 +1 -1.0000 Cl -0.85414149 +1 1.97548834 +1 -0.00066118 +1 -1.0000 Cl -0.76128638 +1 -2.02164891 +1 0.00207881 +1 -1.0000