*** Summary of AM1 Calculation *** *** EMPIRE'14 (Revision 2036) *** <><><><><><><><><><><><><><><><><><><><><><><><><><><><><><><><><><><><><><> adamantane Molecular Formula = H16C10 Charge = 0 Multiplicity = 1 <> Geometry optimization <> Optimization completed Heat of formation = -43.157005 kcal/mol Electronic energy = -9254.001146 eV Core-core repulsion = 7751.374054 eV No. of filled levels = 28 Ionization potential = 10.430969 eV Electron affinity = -3.586173 eV SCF calculations = 14 Computation time = 0.604 seconds <> Final geometry obtained 26 adamantane C -2.804718 -0.419622 -0.756366 -0.147444 C -2.178137 0.472564 -1.823730 -0.101256 C -0.686715 0.167951 -1.926656 -0.147458 C -0.016293 0.435092 -0.582471 -0.101220 C -0.644984 -0.456949 0.483800 -0.147478 C -2.136624 -0.154301 0.589370 -0.101256 C -2.371357 1.936291 -1.439338 -0.147419 C -1.703918 2.204255 -0.093809 -0.101245 C -0.212874 1.898593 -0.198669 -0.147450 C -2.331017 1.309942 0.971455 -0.147440 H -2.676016 -1.495701 -1.038123 0.078792 H -3.902296 -0.209943 -0.682945 0.078813 H -2.670098 0.276255 -2.813038 0.085968 H -0.221884 0.809893 -2.717712 0.078859 H -0.537836 -0.902928 -2.218167 0.078776 H 1.080745 0.211507 -0.659416 0.085953 H -0.150163 -0.273828 1.471544 0.078807 H -0.494147 -1.533474 0.215315 0.078826 H -2.597966 -0.811336 1.373332 0.085984 H -3.464390 2.170396 -1.373949 0.078804 H -1.921909 2.597017 -2.224051 0.078855 H -1.847669 3.280843 0.188412 0.085974 H 0.286375 2.103467 0.782575 0.078791 H 0.256443 2.559884 -0.970707 0.078820 H -3.423954 1.536520 1.061512 0.078805 H -1.852956 1.509773 1.964210 0.078839