183 i = 624, E = -4961.3445077941 Au 2.8850000000 11.6596000000 -4.7112000000 Au 4.3275000000 14.1581000000 -4.7112000000 Au 5.7700000000 11.6596000000 -4.7112000000 Au 7.2125000000 14.1581000000 -4.7112000000 Au 8.6550000000 11.6596000000 -4.7112000000 Au 10.0975000000 14.1581000000 -4.7112000000 Au 11.5400000000 1.6656000000 -4.7112000000 Au 12.9825000000 4.1641000000 -4.7112000000 Au 14.4250000000 1.6656000000 -4.7112000000 Au 15.8675000000 4.1641000000 -4.7112000000 Au 17.3100000000 1.6656000000 -4.7112000000 Au 18.7525000000 4.1641000000 -4.7112000000 Au 2.8850000000 1.6657000000 -4.7112000000 Au 5.7700000000 1.6657000000 -4.7112000000 Au 8.6550000000 1.6657000000 -4.7112000000 Au 10.0975000000 4.1641000000 -4.7112000000 Au 7.2125000000 4.1641000000 -4.7112000000 Au 4.3275000000 4.1641000000 -4.7112000000 Au 2.8850000000 6.6626000000 -4.7112000000 Au 5.7700000000 6.6626000000 -4.7112000000 Au 8.6550000000 6.6626000000 -4.7112000000 Au 7.2125000000 9.1611000000 -4.7112000000 Au 10.0975000000 9.1611000000 -4.7112000000 Au 4.3275000000 9.1611000000 -4.7112000000 Au 11.5400000000 6.6626000000 -4.7112000000 Au 14.4250000000 6.6626000000 -4.7112000000 Au 17.3100000000 6.6626000000 -4.7112000000 Au 12.9825000000 9.1611000000 -4.7112000000 Au 11.5400000000 11.6596000000 -4.7112000000 Au 14.4250000000 11.6596000000 -4.7112000000 Au 12.9825000000 14.1581000000 -4.7112000000 Au 15.8675000000 9.1611000000 -4.7112000000 Au 17.3100000000 11.6596000000 -4.7112000000 Au 15.8675000000 14.1581000000 -4.7112000000 Au 18.7525000000 9.1611000000 -4.7112000000 Au 18.7525000000 14.1581000000 -4.7112000000 Au 4.3275000000 19.1551000000 -4.7112000000 Au 7.2125000000 19.1551000000 -4.7112000000 Au 10.0975000000 19.1551000000 -4.7112000000 Au 12.9825000000 19.1551000000 -4.7112000000 Au 15.8675000000 19.1551000000 -4.7112000000 Au 18.7525000000 19.1551000000 -4.7112000000 Au 2.8850000000 16.6566000000 -4.7112000000 Au 5.7700000000 16.6566000000 -4.7112000000 Au 8.6550000000 16.6566000000 -4.7112000000 Au 11.5400000000 16.6566000000 -4.7112000000 Au 14.4250000000 16.6566000000 -4.7112000000 Au 17.3100000000 16.6566000000 -4.7112000000 Au 1.4506548637 0.8683237996 -2.2640103342 Au 4.3373681229 0.8640226351 -2.2737815357 Au 7.2209071991 0.8695872763 -2.2597616192 Au 2.8937700817 3.3632319392 -2.2696709806 Au 5.7761462823 3.3643575676 -2.2690517267 Au 8.6620609382 3.3644249711 -2.2643941196 Au 1.4447550209 5.8589110865 -2.2730837913 Au 4.3333935416 5.8607833801 -2.2665651334 Au 7.2153780440 5.8579238192 -2.2654693697 Au 2.8724677468 8.3548587219 -2.2679922356 Au 5.7603353347 8.3558754247 -2.2764243337 Au 8.6382680108 8.3509556730 -2.2718624803 Au 1.4422764757 10.8528474382 -2.2793418813 Au 2.8830762299 13.3541289675 -2.2702025456 Au 4.3239934595 10.8609306562 -2.2712329862 Au 5.7697894425 13.3559919266 -2.2685514770 Au 7.2118334680 10.8576432981 -2.2963661997 Au 8.6507529155 13.3562437007 -2.2733227954 Au 11.5422573164 13.3560204171 -2.2725427581 Au 10.1018451849 10.8587834148 -2.2747971320 Au 11.5274671851 8.3586483078 -2.2752608633 Au 10.0989834749 5.8590882168 -2.2652665533 Au 11.5424943107 3.3642599641 -2.2681939805 Au 10.1036951182 0.8648838580 -2.2731810590 Au 14.4232056258 13.3535881207 -2.2705476373 Au 12.9871328901 10.8547591662 -2.2819008673 Au 14.4096019014 8.3551565511 -2.2676723140 Au 12.9813745676 5.8599194888 -2.2707669798 Au 14.4301754658 3.3634978608 -2.2705003407 Au 12.9876837410 0.8690184477 -2.2616039337 Au 17.3105344522 13.3538430924 -2.2712745242 Au 15.8687091704 10.8575869168 -2.2648153236 Au 17.2987035614 8.3602034797 -2.2752145452 Au 15.8695326963 5.8614827501 -2.2695886241 Au 17.3141922402 3.3626746591 -2.2727691990 Au 15.8737846503 0.8626175381 -2.2768398184 Au 2.8797159400 18.3507836625 -2.2728721364 Au 5.7633600532 18.3471147717 -2.2678726106 Au 8.6476565678 18.3510646811 -2.2691908521 Au 11.5293988181 18.3466305118 -2.2693892686 Au 14.4157615348 18.3500154383 -2.2711074489 Au 17.3008752002 18.3456442343 -2.2705754426 Au 1.4424385201 15.8518416606 -2.2701650326 Au 4.3276782585 15.8513083460 -2.2714087707 Au 7.2130160042 15.8521683305 -2.2645101932 Au 10.0930361568 15.8495563402 -2.2679632241 Au 12.9794724467 15.8527614528 -2.2684825088 Au 15.8643554393 15.8498518474 -2.2730486891 Au -0.0031694826 0.0646498057 0.1660010900 Au 2.8863312193 0.0665674661 0.1707272952 Au 1.4464466878 2.5631436146 0.1643884863 Au 4.3328479072 2.5662178670 0.1756508572 Au 7.2169466466 2.5650706164 0.1728867173 Au 0.0042481313 5.0592799828 0.1735535134 Au 2.8890072857 5.0626632020 0.1656301397 Au 5.7775805059 5.0635814754 0.1867871948 Au 1.4453670942 7.5577902717 0.1762345662 Au 4.3330758089 7.5564241357 0.1651612153 Au 7.2166132426 7.5623394645 0.2040224011 Au 5.7673561424 0.0666270474 0.1743585111 Au -0.0073805230 10.0525702040 0.1665745450 Au 1.4380115724 12.5534986880 0.1714004612 Au 2.8718280351 10.0567462345 0.1620611566 Au 4.3243671963 12.5538898948 0.1690071465 Au 5.7517447524 10.0542295062 0.1345441995 Au 7.2076499267 12.5585705923 0.1800995512 Au 8.6551188295 0.0645390517 0.1771172484 Au 10.0998620920 2.5675471512 0.1825489963 Au 8.6579659236 5.0655185524 0.1854256075 Au 10.0988632455 7.5575322678 0.1596372636 Au 8.6373770326 10.0599487656 0.1316907102 Au 10.0883790194 12.5520894137 0.1499318995 Au 11.5360016468 0.0689692106 0.1718097245 Au 12.9838400052 2.5646743408 0.1684746403 Au 14.4224021014 0.0631978560 0.1701532943 Au 15.8692592109 2.5638861860 0.1708688989 Au 15.8688633679 7.5570538027 0.1532477928 Au 15.8628619825 12.5524674590 0.1618877903 Au 14.4254187849 5.0633174942 0.1644397469 Au 14.4121442518 10.0578192402 0.1654242576 Au 11.5421779704 5.0636630105 0.1863681704 Au 12.9807210936 7.5619363431 0.1872381547 Au 11.5376414222 10.0565460197 0.1566634749 Au 12.9758952130 12.5546422712 0.1771525973 Au 1.4437043332 17.5461051884 0.1592654348 Au 4.3277248024 17.5497737386 0.1782608202 Au 7.2137515111 17.5468433157 0.1649245391 Au 10.0973347459 17.5485766966 0.1824544620 Au 12.9804859198 17.5461857205 0.1637149841 Au 15.8662259467 17.5485224611 0.1761085895 Au -0.0035259185 15.0495124962 0.1666816803 Au 2.8847477575 15.0516167084 0.1701733148 Au 5.7681808247 15.0510726250 0.1775016923 Au 8.6535324024 15.0493370255 0.1885077344 Au 11.5358806693 15.0513385697 0.1757113742 Au 14.4220920318 15.0492321635 0.1717948918 H 9.8770943412 9.6560840470 2.4580660929 H 10.4797984497 12.5322930275 2.7487423788 C 10.1172407462 9.7261933643 3.5172613190 H 9.7950222385 6.8282455581 3.2572134768 C 10.6397118317 12.2735649770 3.7963021584 H 6.7262368020 10.1874583713 2.3930557584 C 10.0269631528 7.2191969289 4.2461191257 C 10.5115086709 10.9189790873 4.2215286167 C 10.2310590065 8.6189910404 4.4283192773 C 6.7763577149 10.2247792519 3.4891353324 H 7.1934760113 12.2294848759 3.1139674660 H 6.6583335863 8.1549552937 3.2815592757 C 11.0058967573 13.2288615950 4.7221721191 H 11.1347005764 14.2588023919 4.4006710065 C 10.1695624735 6.3845749915 5.3361855133 C 7.0705082145 11.5307639358 3.9459885476 H 10.0468535796 5.3131072132 5.2065549570 C 6.7292676285 8.9266676223 4.0512054916 Ti 8.4658849383 10.0648772233 4.9871241555 C 10.7262050620 10.5783591897 5.6146358295 C 10.5471590605 9.1387745827 5.7447895587 C 11.2313142763 12.8903437982 6.0899723862 C 10.4856121982 6.8955920530 6.6309594546 C 7.4415383594 12.0877034244 5.1956082338 C 6.9521977495 8.4001808391 5.3479657718 C 11.0935563748 11.5920306958 6.5429680919 C 10.6685668112 8.2480789364 6.8470303129 H 7.8104602315 13.1065762729 5.1018212397 H 7.0409249539 7.3164988577 5.3463594423 H 11.5281506505 13.6715265723 6.7826695393 H 10.5905822368 6.1993823654 7.4573632822 C 7.6507186828 11.5606218364 6.4955885118 C 7.3025903107 8.9623409436 6.6025233442 H 11.2805391394 11.3419603038 7.5827901578 H 10.9212959445 8.6285107658 7.8317381710 C 7.5806765814 10.2696960037 7.0820780264 H 8.1325838695 12.2809250949 7.1525943177 H 7.5872480423 8.1985762387 7.3221312382 H 7.9912054807 10.2563909745 8.0885342390