Version2.5 2022-04-06T04:18:56Z 10.1021/ja902302h Gaussian16 RevisionB.01 RPOIRIER 12-Feb-2022 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) GDB_13 Smiles: CC#CC1=CC2C(C)C=CC2=C1 RHF 6-31G(d) (6D,7F) CC#CC1=CC2C(C)C=CC2=C1 C1[X(C12H12)] 66 C1 204 CC#CC1=CC2C(C)C=CC2=C1 CC#CC1=CC2C(=C1)C=CC2C CC#CC1=CC2C(C)C=CC2=C1 InChIKey=HCGMKIRGRBTIHE-UHFFFAOYSA-N InChI=1S/C12H12/c1-3-4-10-7-11-6-5-9(2)12(11)8-10/h5-9,12H,1-2H3 InChI=1/C12H12/c1-3-4-10-7-11-6-5-9(2)12(11)8-10/h5-9,12H,1-2H3 CC#CC1=CC2C(C)C=CC2=C1 C01[X(C12H12)] 66 C1 204 CC#CC1=CC2C(C)C=CC2=C1 CCC[C@H]1C[C@@H]2[C@H](C1)CC[C@@H]2C CCC[C@@H]1C[C@@H]2CC[C@H](C)[C@@H]2C1 InChIKey=QIAKXGMNHWUNHP-USZNOCQGSA-N InChI=1S/C12H22/c1-3-4-10-7-11-6-5-9(2)12(11)8-10/h9-12H,3-8H2,1-2H3/t9-,10+,11-,12-/m0/s1 InChI=1/C12H22/c1-3-4-10-7-11-6-5-9(2)12(11)8-10/h9-12H,3-8H2,1-2H3/t9-,10+,11-,12-/m0/s1 4.610018345621D+02 -2.302039563331D+03 613.9615906105 -461.2938762 1-A 2697.6552 42 162 204 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -11.24689 -11.24192 -11.23856 -11.23278 -11.23088 -11.22695 -11.22558 -11.22237 -11.22007 -11.22000 -11.21171 -11.21170 -1.18434 -1.10411 -1.04878 -1.01766 -0.97500 -0.94866 -0.92028 -0.85803 -0.78004 -0.73759 -0.72064 -0.67531 -0.65961 -0.62314 -0.60006 -0.58613 -0.58569 -0.58232 -0.55527 -0.54777 -0.52712 -0.50860 -0.49758 -0.47451 -0.46556 -0.43765 -0.40371 -0.36779 -0.33797 -0.27629 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.11184 0.16632 0.22329 0.23575 0.25710 0.27306 0.27997 0.28753 0.29569 0.30624 0.31393 0.31648 0.33008 0.33605 0.34406 0.35235 0.37682 0.38737 0.39782 0.40348 0.41155 0.43171 0.45867 0.49770 0.56527 0.57422 0.57697 0.60730 0.65321 0.68189 0.69850 0.72089 0.73431 0.74972 0.75895 0.77415 0.77943 0.80068 0.82088 0.83637 0.84684 0.85454 0.88267 0.88577 0.89249 0.90724 0.92076 0.93539 0.94045 0.96253 0.98601 0.99344 1.01496 1.03457 1.05751 1.07848 1.08090 1.09675 1.09988 1.11232 1.12227 1.12904 1.15262 1.15700 1.16803 1.17353 1.18619 1.19307 1.19623 1.20538 1.21210 1.22508 1.24404 1.26196 1.27245 1.33456 1.35136 1.39604 1.41961 1.45451 1.49549 1.52234 1.53229 1.57838 1.60361 1.62727 1.69520 1.72096 1.73668 1.75244 1.81573 1.82352 1.83468 1.84173 1.86893 1.88746 1.92225 1.92928 1.93744 2.02249 2.04160 2.10579 2.10995 2.15921 2.16686 2.19072 2.20842 2.21918 2.24011 2.24964 2.28424 2.30409 2.32324 2.36115 2.38751 2.42710 2.44480 2.45128 2.46491 2.48237 2.51482 2.52983 2.54173 2.55760 2.59599 2.61088 2.64200 2.67968 2.69759 2.70285 2.73216 2.78285 2.84266 2.85371 2.91399 2.93450 2.96658 2.98144 3.03593 3.04327 3.10333 3.15535 3.15829 3.20045 3.29104 3.36254 3.41348 3.52324 3.60308 3.96659 4.50770 4.55203 4.57500 4.57840 4.66910 4.71716 4.79490 4.84457 5.02930 5.06429 5.12339 5.36811

10.56147 -0.4175 0.2667 -0.0816 0.5021 |XX|YY|ZZ|XY|XZ|YZ| -57.7506 -69.1735 -72.6006 0.1355 -1.2372 2.9489

|XX|YY|ZZ|XY|XZ|YZ| 8.7576 -2.6653 -6.0923 0.1355 -1.2372 2.9489

|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| 47.2567 -3.0490 2.0668 -2.8161 3.3296 -9.2541 0.3429 2.4361 -3.6487 -1.6704

0 |0.58332780|0.00122722|0.62211771|-0.00411755|0.00090854|0.62045027|-0.31042978|0.00501713|-0.02704860|1.62365596|0.00520257|-0.07970756|-0.00016705|-0.02881242|0.11582922|-0.02690174|-0.00019561|-0.08152078|0.17836609|-0.00286126|0.13535868|-0.00194761|0.00022348|-0.00105031|-1.23929491|0.02220571|-0.14055583|1.64134920|-0.00023572|0.00647066|-0.00015950|0.02257666|-0.05226264|0.00331517|-0.03446432|0.12051850|-0.00136204|-0.00001114|0.00647007|-0.14006850|0.00322314|-0.06913959|0.17935104|0.00681293|0.12326923|0.00176357|-0.00020143|-0.00076466|-0.01706032|0.00001104|-0.00295112|-0.33888130|0.01152417|-0.02874729|0.83373299|0.00081362|0.00813271|0.00047631|-0.00454000|0.00798725|-0.00015996|0.01747634|-0.09170021|-0.00904934|0.09081153|0.59049372|-0.00020495|0.00024883|0.00758528|-0.00564756|0.00043837|0.00647931|-0.02514782|-0.00917058|-0.07737659|0.13315345|0.22468877|0.30310610|-0.00011661|0.00109327|0.00050666|0.00348653|0.00009134|0.00025328|-0.03401810|-0.02719257|-0.01788697|-0.26374624|-0.17324614|-0.10465326|0.63964545|-0.00080472|-0.00028583|-0.00018400|0.00760609|-0.00065951|0.00026736|-0.00664019|0.01176282|0.00128898|-0.17093520|-0.32039831|-0.14271016|0.01175597|0.78447799|-0.00060613|-0.00020178|-0.00022402|0.00420328|-0.00065123|0.00106936|-0.00814668|-0.00143071|0.00502203|-0.10922111|-0.14507884|-0.16204324|0.08133000|0.32377145|0.35183782|-0.00001648|-0.00020843|0.00019716|-0.00070284|0.00029281|0.00027680|-0.00100787|-0.00090670|-0.00420072|-0.03959857|-0.01521254|-0.02207034|-0.20951803|0.03397623|-0.00500622|0.61176441|0.00012134|-0.00005036|0.00061370|-0.00076011|0.00020227|0.00025618|-0.00143825|-0.00123281|-0.00794097|-0.01940707|0.00525138|0.00083229|0.06381587|-0.11700429|-0.00091505|-0.01663898|0.51218421|0.00028191|0.00074869|-0.00084590|-0.00015888|0.00035876|-0.00030477|-0.00260253|-0.00708416|0.01040917|-0.01380250|-0.01123397|-0.00577654|0.00245576|-0.00381516|-0.08437224|0.02737614|0.01937855|0.60449617|-0.00017833|-0.00006319|0.00005157|0.00028552|0.00001171|0.00000666|-0.00063486|-0.00004993|-0.00104760|-0.00198538|0.00508871|0.00360887|-0.01782003|-0.01239307|0.00316097|-0.14072562|-0.04144588|0.02964164|0.52803926|-0.00017942|-0.00003459|-0.00022409|0.00058843|0.00007089|0.00007823|-0.00037999|0.00029337|0.00152403|0.00499772|-0.00577734|0.00023910|0.00864437|0.01521555|-0.00814296|-0.02647721|-0.10918501|0.01313486|0.06136035|0.60447549|-0.00002632|-0.00002609|0.00003646|-0.00013779|0.00004302|0.00004862|-0.00059359|-0.00013605|-0.00102292|-0.00249233|-0.00198062|-0.00103406|0.00328997|-0.00587795|0.00049855|0.02040896|0.01508462|-0.09659767|0.06992905|0.05068425|0.58093847|0.00002666|0.00001380|0.00001614|-0.00005433|0.00001733|-0.00003214|-0.00003379|-0.00003435|0.00003942|0.00019909|-0.00118265|-0.00045418|0.00230164|-0.00042943|0.00129278|0.00806404|-0.01941779|0.02472405|-0.09959151|0.01405784|-0.02467216|0.64770264|-0.00002645|0.00000307|-0.00001687|0.00006187|-0.00001617|-0.00001438|-0.00001594|-0.00000656|0.00017389|0.00051747|-0.00014201|-0.00029865|0.00050773|0.00185498|0.00056875|0.00022689|-0.00788371|0.01054720|0.01202076|-0.13716987|0.06087100|0.01479199|0.60772981|0.00002651|-0.00001779|0.00002494|-0.00006985|0.00001687|-0.00004431|-0.00001761|0.00007944|-0.00016497|-0.00048056|0.00020516|0.00007391|-0.00099578|0.00010322|0.00062975|0.00098643|0.01019514|-0.01289925|-0.01925957|0.05480226|-0.16580533|-0.01299944|0.05673399|0.58599123|0.00018779|-0.00006365|0.00005407|-0.00043976|-0.00003257|-0.00004018|0.00012973|0.00062774|-0.00037887|-0.00132255|0.00309676|0.00051102|-0.00391472|-0.00350585|0.00270576|-0.03815287|0.01892835|0.01388509|-0.13033332|0.03502036|0.01892005|-0.00179804|0.00697228|-0.00153135|0.84581311|0.00000735|0.00009390|0.00009570|-0.00019082|-0.00003848|-0.00004660|0.00022285|-0.00051321|-0.00041846|-0.00282069|0.00352841|0.00211221|-0.00117897|-0.00577875|-0.00021845|0.00510452|0.00819066|0.00059740|0.05049617|-0.16671458|-0.03487368|0.01542327|-0.02724025|-0.00184804|0.20378222|0.72592164|-0.00005177|0.00001764|-0.00001925|0.00012999|0.00000550|0.00004732|0.00003066|-0.00007543|-0.00005961|0.00073408|-0.00114607|0.00022292|0.00185706|0.00108408|0.00027342|0.01709147|-0.00910194|-0.00751657|0.02238224|-0.03220186|-0.10120885|-0.01624979|0.02170091|0.01376917|-0.10716036|0.09297432|0.23605473|-0.00009456|-0.00004168|-0.00003602|0.00034517|0.00008150|0.00006771|-0.00073554|0.00035946|0.00001711|-0.00019059|-0.00803560|-0.00413917|0.00243625|0.00125713|0.00120914|-0.00688864|0.01130691|0.00550263|0.01575662|0.00753410|0.00080687|-0.00265948|0.00225595|0.00047429|-0.28132012|-0.22856876|-0.00662284|0.65665191|0.00013282|-0.00015589|-0.00006180|-0.00018071|0.00000262|0.00012577|0.00010134|0.00120361|0.00013568|0.00135550|0.00200245|-0.00553643|-0.00350261|-0.00251920|-0.00304202|0.02559948|-0.01683150|-0.00833708|-0.01114169|-0.03790349|-0.00885336|0.00074330|-0.00098423|-0.00473916|-0.22155463|-0.44317668|-0.05027167|0.09157272|0.92065539|0.00001265|-0.00006258|-0.00004895|-0.00010718|0.00002921|-0.00016301|-0.00063087|0.00076534|0.00071151|-0.00365904|-0.00688745|0.00468069|0.00160371|-0.00274502|-0.00183457|0.01810726|-0.01467821|-0.00337038|-0.00303341|-0.01275808|0.00301219|0.00091726|0.00030621|-0.00079138|-0.00682485|-0.05313953|-0.08406305|-0.09043225|0.21463821|0.24460453|0.00016789|-0.00013436|-0.00002991|-0.00209713|-0.00063996|-0.00060754|0.00116058|0.00410635|0.00236673|-0.05659306|0.04225162|0.01441240|-0.02146397|0.02099221|0.00666012|-0.08223350|-0.00635082|0.00204943|-0.01693387|-0.02203302|-0.01378214|-0.00036724|0.00187966|0.00263838|-0.06144158|-0.02556934|0.00505778|-0.24484201|0.03510690|0.04910199|1.00974226|-0.00018792|0.00045874|0.00018973|0.00037876|0.00016374|0.00007205|0.00098155|-0.00459765|-0.00233804|0.02090381|0.00539556|0.00206465|0.02053093|-0.03508906|-0.02102298|0.00349012|-0.19014087|-0.05078969|-0.01955265|-0.02432770|-0.00484599|0.00134551|-0.00142813|-0.00103327|-0.03031665|0.00779070|0.00657741|0.05976046|-0.11743547|-0.03616405|0.04819995|0.47999564|0.00004227|0.00020379|0.00013016|-0.00005949|0.00011888|0.00001102|0.00179298|-0.00333206|0.00052041|0.00670681|0.01030893|0.01717621|-0.00231060|-0.00958426|-0.00060559|0.00647802|-0.06580128|-0.12039712|-0.00655728|0.01183738|0.00201661|0.00170881|0.00108272|0.00058293|0.00291149|0.00564091|0.01202786|0.05195542|-0.03111034|-0.09282485|0.04954968|0.17293196|0.31259058|0.00001972|-0.00128615|-0.00065199|0.00261056|0.00044587|0.00040166|-0.02498470|0.02523318|0.00884054|-0.13863115|0.04892363|0.01017151|0.02179907|0.01454603|0.00911852|-0.02325171|-0.01562286|-0.02205795|0.00363476|-0.00296524|-0.00143730|-0.00132147|0.00007171|-0.00075205|0.00293642|0.01061664|0.00182459|-0.03061467|-0.01109045|-0.01057211|-0.51745921|-0.10280613|-0.10882140|0.81890242|0.00061190|-0.00047859|-0.00012893|-0.00416277|-0.00050883|-0.00144572|0.00316775|0.00785809|0.00330916|0.05864392|-0.17967642|-0.05064932|0.00112648|-0.04334234|-0.03241686|-0.02346754|-0.01264654|-0.00452657|-0.00112248|-0.00244502|-0.00248782|0.00003188|0.00044450|0.00000522|0.00231777|-0.00021702|-0.00122772|0.00789391|0.01030781|0.00763865|-0.08615152|-0.13105543|-0.05709470|0.12438601|0.60216087|0.00026169|-0.00037520|-0.00022246|-0.00204908|-0.00089892|0.00034427|-0.00216501|0.00674505|0.00495442|0.01659370|-0.05333976|-0.09423039|0.00040298|-0.02831242|-0.00166282|-0.01759584|-0.01284578|-0.00632391|0.00112365|-0.00414014|-0.00119169|-0.00099451|-0.00036405|-0.00032924|0.00350502|-0.00274942|0.00016621|0.01081356|0.00459552|0.00917819|-0.11282333|-0.05271830|-0.11845419|0.17049899|0.29242776|0.34546278|-0.08370114|-0.07421557|-0.04065039|-0.01803245|-0.03438016|-0.01937083|-0.00135776|0.00153621|0.00049299|0.00045567|0.00158503|0.00083384|-0.00008865|0.00007547|0.00006313|0.00002652|-0.00008277|-0.00003248|0.00005011|0.00006789|-0.00000210|-0.00001208|0.00000372|-0.00001763|-0.00009386|0.00001405|0.00002953|0.00001467|-0.00009268|-0.00003369|-0.00017421|0.00030897|0.00012078|-0.00052471|-0.00050709|-0.00034119|0.09309584|-0.07370954|-0.25974289|-0.11116089|-0.00166162|0.00598152|0.00349480|0.00116993|0.00014275|-0.00036445|-0.00001565|-0.00026867|-0.00005005|-0.00002689|0.00001756|0.00003716|0.00002699|0.00001350|-0.00006866|0.00001962|0.00000900|0.00000113|-0.00000210|-0.00000472|-0.00000520|-0.00001109|-0.00000391|0.00000305|0.00001083|-0.00000394|0.00000425|-0.00001008|-0.00000231|-0.00000005|0.00005443|-0.00005368|0.00000172|0.08189436|0.27754558|-0.04040195|-0.11121723|-0.11776107|-0.00293600|-0.00068205|-0.00211183|0.00025795|-0.00029887|0.00103533|0.00005749|0.00014466|-0.00009293|-0.00001662|0.00001323|0.00001188|-0.00000894|-0.00006718|0.00008912|0.00000086|0.00003669|0.00000322|0.00000016|0.00000383|-0.00000244|-0.00002119|-0.00000880|0.00000473|0.00000809|-0.00000727|-0.00000413|-0.00003349|0.00004779|-0.00001902|-0.00002109|-0.00006069|-0.00006603|0.04611114|0.12279130|0.12099076|-0.07589113|0.05978512|-0.04181592|-0.01659294|0.03291677|-0.02338887|-0.00104947|-0.00112418|0.00087921|0.00002111|-0.00181768|0.00070792|-0.00040308|0.00026695|0.00043528|0.00008497|-0.00001426|-0.00050038|0.00011331|0.00008867|0.00001377|-0.00003608|0.00001196|-0.00001491|-0.00007778|-0.00002706|0.00003337|0.00004232|-0.00003220|0.00000899|-0.00007679|-0.00001902|-0.00001953|0.00006522|-0.00012259|-0.00011300|0.00375962|-0.00869530|0.00831758|0.08467083|0.05892460|-0.23858895|0.12704714|0.00296364|0.00371506|-0.00300672|-0.00149156|0.00027887|0.00038083|0.00030575|-0.00007253|0.00011464|-0.00003618|-0.00011626|-0.00008048|0.00003232|0.00000754|-0.00000823|-0.00001069|-0.00000959|0.00000484|0.00000239|0.00000182|0.00000911|0.00002565|-0.00001345|-0.00001082|-0.00000892|0.00003550|0.00000000|0.00001298|-0.00005399|-0.00000467|0.00006697|0.00006208|0.00003429|0.00801336|-0.02334202|0.01814996|-0.06631112|0.25427134|-0.04137415|0.12713299|-0.14566508|-0.00330484|0.00008860|-0.00163599|0.00045178|0.00039771|0.00090638|-0.00003706|-0.00019140|-0.00012229|-0.00001382|0.00005174|0.00014315|0.00001561|-0.00004533|-0.00004315|0.00002490|0.00004365|0.00001142|-0.00000996|0.00001250|0.00000027|-0.00001899|-0.00001992|0.00000722|0.00001480|0.00000617|0.00000661|-0.00001112|-0.00003678|-0.00004219|0.00008127|-0.00000833|-0.00001606|0.00641722|-0.01441442|0.01193390|0.04729995|-0.14048932|0.15188537|-0.11343040|0.00838248|0.11543702|-0.02447954|0.00280455|0.03479868|-0.00041556|0.00024412|-0.00151855|0.00022871|-0.00058219|-0.00185081|-0.00032235|0.00039785|0.00020102|-0.00005315|-0.00032386|0.00010470|0.00006211|0.00017859|0.00000750|-0.00001885|0.00002136|-0.00001619|-0.00009944|-0.00005388|0.00002483|0.00004141|-0.00001364|-0.00000086|-0.00008891|0.00000752|-0.00007965|0.00008517|-0.00017091|0.00000953|0.00668753|0.00100528|-0.01130907|0.00569634|-0.00245639|-0.00944596|0.12630872|0.00821970|-0.05801905|-0.01700110|0.00076260|-0.00127656|-0.00019797|-0.00030596|0.00107565|-0.00012770|0.00014439|-0.00009882|0.00009475|-0.00000188|-0.00005796|0.00004654|0.00004871|0.00003271|-0.00011368|0.00001636|-0.00000230|0.00000797|-0.00000606|0.00000349|0.00000410|0.00001170|-0.00001309|-0.00000290|0.00000170|0.00002256|0.00000736|0.00001225|-0.00006834|-0.00000517|0.00008299|0.00002059|0.00003120|0.01568648|-0.00033136|-0.02885522|-0.01503522|0.00381659|0.02743665|-0.00954906|0.05485737|0.11445906|-0.01696438|-0.28866269|-0.00128205|0.00078707|0.01126083|-0.00160095|-0.00000461|-0.00050951|0.00035105|0.00002044|-0.00036726|-0.00010468|-0.00009570|-0.00002339|0.00000134|-0.00003772|0.00005748|-0.00001530|0.00001166|-0.00000474|-0.00000432|-0.00000427|-0.00000408|0.00000664|-0.00001226|0.00000221|-0.00000297|0.00001658|0.00000485|0.00000204|-0.00001722|-0.00000753|0.00002304|0.00003218|0.00000829|0.00633901|-0.00028345|-0.01401566|0.00812581|-0.00215197|-0.01734300|-0.12630827|0.01867638|0.30962250|-0.00003142|0.00004400|-0.00004674|-0.00024820|0.00013171|0.00000538|0.00142619|0.00018072|0.00122042|0.01308916|-0.01910045|-0.00977634|-0.10505985|0.09559564|0.04160339|0.00318236|0.02190592|0.01555005|0.00068523|0.00043846|-0.00017030|-0.00030893|0.00032743|0.00006417|-0.00015521|-0.00000771|0.00011434|0.00014704|0.00189402|0.00061021|-0.00632081|0.00083616|-0.00143284|-0.00262105|-0.00210674|-0.00229211|0.00003578|0.00000157|0.00001066|-0.00001951|-0.00001553|-0.00001443|-0.00000510|-0.00002427|0.00000066|0.09553267|-0.00001193|0.00005425|-0.00020843|-0.00062140|0.00021774|-0.00005277|0.00029007|-0.00057434|0.00328486|0.01274479|-0.01265475|-0.00973288|0.08873963|-0.28600302|-0.12745958|-0.00137821|-0.00094482|-0.00102547|0.00063005|-0.00068722|0.00004575|0.00008651|-0.00020021|0.00000632|0.00033454|0.00007366|0.00003039|-0.00016396|0.00012609|-0.00059200|0.00100737|0.00151135|0.00067837|-0.00406689|0.00030865|-0.00496706|0.00002569|-0.00000028|0.00002529|-0.00002369|-0.00000168|0.00001074|0.00003934|-0.00001296|0.00001566|-0.09845695|0.29894864|-0.00000612|-0.00009695|0.00030688|-0.00046787|-0.00002889|0.00017912|0.00119447|0.00311132|-0.00473740|0.00699496|-0.00818526|0.00345339|0.03864108|-0.13168764|-0.10686246|-0.00075078|0.00491692|0.00255431|-0.00056036|0.00057536|0.00026703|0.00016416|-0.00032469|-0.00003079|-0.00012247|-0.00012565|-0.00025991|0.00002091|-0.00007243|0.00126958|-0.00296384|-0.00184972|-0.00083861|0.00082624|-0.00553919|0.00539314|0.00000997|0.00001040|-0.00002218|-0.00000621|-0.00000623|-0.00004094|-0.00009838|-0.00000490|-0.00002231|-0.04463031|0.14019941|0.09872921|0.00019513|0.00029037|-0.00015010|-0.00012655|0.00000053|-0.00006037|-0.00138768|-0.00164916|0.00235821|-0.00271213|-0.00155658|-0.00141458|-0.00928399|0.00511383|-0.03192383|-0.05928178|0.01595058|-0.06010390|0.00277990|-0.00813309|0.02908431|-0.00466828|-0.00067233|0.00165932|0.00043501|-0.00100302|0.00017824|0.00002804|0.00020420|0.00059099|0.00011436|0.00083961|0.00003646|-0.00273246|0.00371555|-0.00062119|-0.00005564|-0.00003276|0.00000546|-0.00021936|-0.00001354|-0.00004354|-0.00009691|-0.00004765|0.00001062|0.00040847|-0.00004521|0.00140193|0.07500792|-0.00008631|-0.00015684|0.00004967|0.00019252|0.00003498|0.00005403|-0.00003764|0.00073630|-0.00046683|0.00323846|-0.00152154|-0.00348291|0.00582061|-0.00119149|0.01851795|0.01451381|-0.06236180|0.05403513|0.00117612|-0.00428194|0.02262237|-0.00420139|-0.00071823|0.00123937|-0.00067886|-0.00074880|-0.00077842|0.00020234|-0.00067735|0.00084878|-0.00753782|0.00856721|-0.03201002|-0.00155958|-0.00322851|-0.00068171|0.00001749|0.00002013|-0.00001468|0.00010825|0.00000535|0.00001872|0.00003997|0.00003262|-0.00000696|-0.00014076|0.00016415|-0.00090483|-0.01161224|0.06705735|-0.00002172|-0.00005172|0.00000111|0.00019049|-0.00000146|0.00005860|-0.00076517|0.00003770|-0.00021968|0.00118034|0.00139575|0.00011891|-0.00197541|0.00043924|-0.00012380|-0.05024445|0.05630507|-0.30274826|-0.00327948|0.00343074|-0.01247704|0.00309447|0.00032786|0.00010423|0.00023191|0.00096910|0.00092947|-0.00105665|-0.00157299|0.00100504|-0.00495288|0.00352535|-0.01897733|0.00081812|-0.00285437|-0.00023837|-0.00001164|0.00000512|-0.00000663|0.00003340|-0.00000009|0.00001119|0.00000324|0.00001347|0.00000084|-0.00105681|0.00016706|0.00004642|0.05818830|-0.06168745|0.33008735|0.00005613|0.00000744|0.00003502|-0.00013246|0.00000355|-0.00000413|-0.00007305|-0.00000041|-0.00027428|-0.00089092|0.00033681|0.00013976|-0.00000248|-0.00215316|0.00019081|-0.01241204|-0.01577340|-0.02018132|-0.13525172|-0.06818677|-0.09792507|-0.00305755|-0.00423607|-0.00583657|0.01505543|0.00840787|0.01581094|-0.00112137|0.00373796|0.00032911|-0.00522160|-0.00056721|0.00459611|0.00066659|-0.00111025|-0.00110068|-0.00001902|-0.00000351|-0.00000652|-0.00002672|0.00000264|-0.00001146|-0.00004216|-0.00000246|0.00000174|-0.00035719|0.00013905|0.00002865|0.00166673|0.00116493|-0.00002162|0.13963399|0.00004656|-0.00001652|0.00001188|-0.00007533|0.00001554|-0.00001563|-0.00002361|0.00006305|-0.00005935|-0.00013469|0.00003432|0.00001137|-0.00032953|-0.00046590|0.00022727|-0.00465750|-0.00637387|-0.00723721|-0.06918816|-0.12696518|-0.09872476|0.01375454|0.01326098|0.01973699|-0.01699947|-0.01532679|-0.01972977|0.00355046|-0.00321878|-0.00194754|-0.00260546|-0.00069952|-0.00025797|-0.00025308|-0.00080020|-0.00034922|-0.00001973|-0.00000267|-0.00000409|-0.00002155|0.00000740|-0.00000533|-0.00002440|0.00000242|0.00000224|-0.00014828|0.00008278|0.00001036|-0.00015496|0.00040367|0.00018883|0.07662267|0.14131651|0.00001551|0.00000122|-0.00000554|0.00002439|-0.00001142|0.00000956|0.00003794|0.00005909|0.00005921|0.00034945|-0.00013847|-0.00004923|-0.00015272|0.00041561|0.00025476|0.00769840|0.01054397|0.01093414|-0.09883387|-0.09936451|-0.19899561|-0.01602774|-0.01417782|-0.02194469|-0.00617316|-0.00431593|-0.00583914|0.00145229|-0.00172215|-0.00030536|0.00356008|0.00102700|-0.00125835|-0.00037962|0.00076205|0.00075748|-0.00000386|-0.00000025|-0.00000205|-0.00000199|-0.00000037|-0.00000346|-0.00000788|-0.00000107|0.00000390|0.00001764|-0.00004195|-0.00002884|0.00008164|-0.00055340|0.00183463|0.10771999|0.10363572|0.21550850|-0.00002254|-0.00000907|-0.00001185|0.00001840|0.00000753|-0.00000275|-0.00001109|0.00000428|0.00006343|-0.00000434|-0.00007479|0.00001361|-0.00008548|0.00039590|0.00010632|0.00025595|0.00025433|0.00065913|-0.00358909|-0.00294417|-0.00414666|-0.14547508|-0.07248381|-0.11007704|-0.00045566|-0.00108281|-0.00003324|0.00038126|0.00032750|0.00040806|0.00051518|0.00012643|-0.00037688|-0.00001970|-0.00008355|0.00013855|0.00000870|0.00000354|0.00000218|0.00000953|-0.00000124|0.00000376|0.00001453|0.00000177|0.00000014|0.00001521|-0.00001173|0.00003047|-0.00000058|0.00002001|-0.00004856|0.00087201|0.00109148|-0.00077254|0.15117438|0.00000277|0.00002126|-0.00000275|0.00002236|-0.00001651|0.00001577|-0.00001284|-0.00004840|0.00000374|-0.00020197|-0.00002961|0.00022016|-0.00018255|-0.00041370|-0.00006232|-0.00028550|0.00110918|-0.00096224|0.01511968|0.01187302|0.01801363|-0.07411639|-0.12176527|-0.09578751|0.00052890|0.00202117|0.00042962|-0.00010435|0.00008903|-0.00019573|-0.00006538|-0.00012877|0.00023148|-0.00028290|0.00019467|-0.00003384|0.00000233|-0.00000126|-0.00000076|0.00000501|-0.00000499|-0.00000276|-0.00000539|-0.00000433|0.00000340|-0.00001469|0.00001369|-0.00007743|0.00018041|0.00017516|-0.00023002|0.00142610|-0.00285742|0.00477114|0.08049240|0.12818087|0.00004153|0.00001291|0.00000370|-0.00002786|-0.00001971|0.00001436|0.00005662|0.00004985|0.00001442|0.00039476|0.00033841|0.00035947|-0.00006526|-0.00038289|-0.00006302|-0.00016610|-0.00075811|0.00092180|-0.01674309|-0.01414548|-0.02101144|-0.10882180|-0.09312070|-0.19980436|0.00099499|-0.00209441|0.00082399|0.00011811|0.00077717|0.00071026|-0.00005419|0.00026836|-0.00033613|0.00057665|0.00018552|0.00022446|-0.00001269|-0.00000410|-0.00000353|-0.00001576|0.00000075|-0.00000701|-0.00002339|-0.00000327|0.00000368|-0.00002520|0.00002122|-0.00003499|-0.00001482|-0.00019451|0.00026486|-0.00130015|0.00482095|-0.00384622|0.12251254|0.10089275|0.21577626|0.00006529|0.00001851|0.00001516|-0.00004547|-0.00001983|-0.00000014|0.00000143|0.00000831|0.00000556|0.00016456|0.00023955|0.00033935|-0.00017851|-0.00057191|0.00016830|0.00026466|0.00181969|-0.00135586|0.00883249|0.00351621|-0.00430438|-0.26712356|-0.07613461|0.09984499|0.00077571|0.00010920|0.00021373|-0.00004569|-0.00023646|-0.00014403|0.00014522|-0.00012661|-0.00030342|0.00025519|0.00006015|0.00008728|-0.00002264|-0.00000859|-0.00000625|-0.00002863|0.00000417|-0.00000960|-0.00003524|-0.00000295|0.00000314|0.00013078|0.00001740|-0.00016500|0.00019722|0.00012785|-0.00012773|0.00065121|-0.00045966|0.00094299|-0.01652867|-0.00511366|0.00842836|0.28767321|0.00002558|0.00000485|0.00000848|-0.00003996|0.00000149|-0.00000122|-0.00001010|-0.00001507|-0.00002824|-0.00006450|-0.00019219|-0.00031627|0.00083347|-0.00004157|-0.00005308|0.00244832|-0.00172563|0.00399677|-0.02147694|-0.00794906|0.00790491|-0.07474405|-0.08712477|0.03564433|-0.00114399|0.00102651|-0.00049107|-0.00015873|-0.00009952|-0.00018852|0.00002396|0.00077828|0.00064115|-0.00013718|0.00003164|-0.00018826|-0.00000883|-0.00000187|-0.00000225|-0.00001544|0.00000209|-0.00000539|-0.00001386|-0.00000125|0.00000075|-0.00023155|0.00002175|0.00018640|-0.00107126|-0.00086381|0.00063539|0.00048989|0.00084701|-0.00047215|-0.01473948|-0.00545338|0.00813264|0.08289983|0.08868483|-0.00003845|-0.00000662|-0.00001311|0.00006325|-0.00000380|0.00001876|0.00001086|0.00002767|0.00001823|0.00015301|0.00020433|0.00016323|-0.00091552|0.00006802|-0.00025448|-0.00271809|0.00290311|-0.00351289|0.02662466|0.00866913|-0.01037589|0.09878085|0.03568567|-0.10734471|0.00017717|-0.00136902|0.00085992|0.00011290|0.00024551|0.00000440|-0.00008411|-0.00030295|-0.00079648|0.00031926|0.00019509|0.00046095|0.00001509|0.00000425|0.00000346|0.00002464|-0.00000424|0.00000648|0.00002097|0.00000097|-0.00000010|0.00004825|-0.00003225|0.00000818|0.00109892|0.00094449|-0.00063044|0.00000488|-0.00116744|0.00062484|-0.02340648|-0.00752892|0.01407026|-0.11014977|-0.04305767|0.11184759|-0.00003493|-0.00000212|-0.00000835|0.00003219|0.00000568|0.00000577|-0.00000230|-0.00003043|0.00001593|0.00001313|-0.00025056|-0.00023963|0.00027373|0.00004737|0.00014408|0.00023448|-0.00043607|-0.00032012|-0.00354840|0.00472198|0.00301270|-0.13231922|0.11499030|0.04681842|0.00106599|0.00111329|-0.00177193|-0.00080431|0.00016507|0.00005000|0.00030580|-0.00029397|0.00015840|-0.00005036|-0.00001308|-0.00000637|0.00001289|0.00000297|0.00000255|0.00001585|-0.00000312|0.00000584|0.00001914|0.00000168|-0.00000193|-0.00001576|-0.00015212|0.00015063|0.00004789|0.00007606|-0.00008899|-0.00027067|-0.00021087|-0.00005002|0.01298775|-0.01741030|-0.00591096|-0.01535739|0.02661088|0.01028746|0.13718353|-0.00001951|-0.00004442|-0.00001779|-0.00000002|0.00003782|0.00000195|-0.00004171|0.00007312|0.00003182|0.00015234|-0.00041456|-0.00047490|-0.00011889|0.00053595|-0.00016918|0.00037791|0.00025041|-0.00066702|0.01104532|-0.01792328|-0.00896689|0.11409782|-0.24028030|-0.07473737|-0.00054391|-0.00181254|0.00510636|0.00110384|-0.00077914|0.00034834|0.00092814|0.00052795|-0.00006541|-0.00069609|-0.00004888|0.00020202|0.00000554|0.00000837|0.00000367|0.00001098|0.00000421|0.00000383|0.00002063|0.00000541|0.00000199|-0.00041687|0.00009268|0.00044776|0.00006044|0.00007990|0.00000947|-0.00003204|0.00128709|0.00015114|0.00860301|-0.01283169|-0.00507262|-0.00574792|0.01254878|0.00398135|-0.12862966|0.25875517|0.00000076|-0.00000416|0.00000900|-0.00002223|0.00000656|-0.00000756|0.00003077|-0.00000920|-0.00002692|-0.00008485|0.00017973|0.00012852|0.00026764|-0.00013048|-0.00017860|-0.00008374|-0.00091091|0.00131948|-0.01675381|0.02633148|0.01009179|0.04779747|-0.07647918|-0.09002068|0.00005195|0.00231413|-0.00504808|-0.00018292|0.00145732|0.00071762|-0.00094868|0.00019241|-0.00022374|0.00043931|-0.00023605|-0.00004111|0.00000096|0.00000239|-0.00000108|-0.00000722|-0.00000017|-0.00000276|-0.00000239|0.00000045|-0.00000143|0.00019684|0.00013166|-0.00007064|-0.00027934|-0.00017740|0.00008223|0.00025241|-0.00125252|0.00167281|0.01504781|-0.01987449|-0.00790147|0.00664796|-0.01247473|-0.00534864|-0.05249049|0.08068409|0.09402040|0.00006435|0.00000247|0.00001740|-0.00009648|-0.00001064|-0.00001024|0.00001796|0.00009031|-0.00008330|-0.00026888|0.00060964|-0.00005852|-0.00063139|-0.00039497|0.00020718|0.00036269|0.00172130|-0.00015537|-0.00684936|-0.00558291|0.00185982|-0.00010614|-0.00025267|0.00037157|-0.36169162|-0.01475464|0.07445443|-0.01018010|0.00455486|0.00607058|-0.00140838|-0.00325899|0.00218152|0.00036903|-0.00003044|0.00030201|-0.00002616|-0.00000689|-0.00000593|-0.00003175|0.00000670|-0.00000849|-0.00003329|-0.00000033|0.00000226|-0.00010795|0.00001231|0.00006018|-0.00025525|-0.00011692|0.00024201|0.00032302|0.00075587|0.00055269|-0.00006461|0.00000424|-0.00005170|0.00019776|0.00050458|-0.00041631|0.00010926|0.00021509|-0.00027727|0.38017046|-0.00001948|-0.00003450|-0.00004267|0.00004739|0.00001049|0.00000874|-0.00009401|0.00021462|0.00026639|0.00029751|-0.00080332|-0.00035827|0.00057203|0.00177717|-0.00067467|0.00262573|-0.00501730|-0.00081672|0.02370464|0.00921920|-0.00485333|-0.00015549|0.00127844|-0.00068892|-0.00906613|-0.07149832|-0.00316191|-0.02900630|0.00807170|0.00776454|-0.00364935|-0.00484000|-0.00440051|-0.00126691|0.00136977|0.00097593|-0.00000008|0.00000324|0.00000441|0.00001666|0.00000262|0.00000931|0.00002780|0.00000466|0.00000345|0.00004793|-0.00004601|0.00005357|0.00022787|0.00018091|-0.00023374|-0.00129608|0.00071920|-0.00022955|0.00004054|-0.00004401|0.00016464|-0.00034869|-0.00040530|0.00051348|-0.00032238|-0.00020272|0.00018825|0.01608274|0.05973068|-0.00000658|-0.00000627|-0.00000814|-0.00001409|-0.00001811|-0.00000060|0.00024980|0.00000005|0.00010168|0.00033716|0.00222702|0.00036849|-0.00205100|0.00049182|-0.00102518|0.00430907|-0.00125237|0.00066256|0.00620494|0.00321460|0.00253374|0.00062360|-0.00086149|-0.00045959|0.07588200|-0.00314411|-0.06681322|-0.00310827|-0.00205407|0.00915092|0.00113293|-0.00399013|0.01066955|0.00227824|-0.00091179|-0.00078968|0.00000424|0.00000095|0.00000268|0.00000363|0.00000247|0.00000249|0.00001125|0.00000125|0.00000013|0.00010709|-0.00007991|0.00009669|-0.00048619|-0.00023112|-0.00000992|-0.00064620|0.00059403|0.00001718|-0.00013030|0.00006177|-0.00003071|-0.00004727|0.00007253|0.00012166|0.00011223|-0.00025080|0.00019973|-0.08351203|0.00391546|0.05079292|0.00005408|0.00000420|0.00000396|-0.00009596|-0.00001575|-0.00002235|-0.00005028|0.00006612|0.00003971|-0.00010224|-0.00007558|0.00011629|0.00004537|0.00159518|0.00061758|-0.00527241|0.00076220|0.00091093|-0.00280787|-0.00365357|0.00307860|0.00080476|-0.00089187|-0.00083157|0.01490804|-0.01987008|-0.00804535|-0.09778946|0.08205388|0.03661655|0.00362268|0.02686443|0.01021726|0.00029691|-0.00092194|0.00003649|-0.00002881|-0.00000643|-0.00000580|-0.00002672|0.00000504|-0.00000451|-0.00002379|0.00000113|0.00000104|-0.00050659|-0.00000585|0.00006129|0.00004340|0.00019411|0.00023664|0.00029749|-0.00031034|-0.00029978|-0.00002770|0.00002332|0.00007045|-0.00001459|0.00008770|-0.00007184|0.00010877|-0.00035410|0.00039920|0.00020755|0.00148913|-0.00125467|0.08685071|-0.00003447|-0.00000198|-0.00000925|0.00004928|0.00000139|0.00000995|0.00000820|-0.00002765|0.00000495|0.00010339|-0.00006909|0.00009559|0.00003793|0.00017092|0.00003156|-0.00088250|0.00047268|0.00014463|-0.00395608|-0.00076430|-0.00405511|-0.00022998|0.00044098|0.00006825|0.01270818|-0.01562900|-0.00970275|0.07919009|-0.31743445|-0.10544057|-0.00197520|0.00182265|0.00018029|0.00073411|-0.00004047|0.00003009|0.00001668|0.00000472|0.00000326|0.00001703|-0.00000406|0.00000355|0.00001664|-0.00000021|-0.00000034|-0.00001977|0.00004036|-0.00000350|0.00003636|-0.00018567|-0.00013181|0.00091620|-0.00133907|-0.00040806|0.00005639|-0.00001241|0.00011654|-0.00003189|-0.00007159|0.00006061|0.00001025|0.00007940|0.00002265|-0.00008965|0.00030820|0.00230992|-0.08689359|0.33230917|-0.00002533|-0.00000455|0.00000120|0.00005248|0.00001984|0.00000394|-0.00000355|-0.00004833|-0.00004185|0.00029628|-0.00008680|-0.00045476|-0.00008739|-0.00067140|-0.00045823|0.00239873|-0.00095978|0.00251887|0.00287821|-0.00211336|0.01179927|0.00143057|-0.00240896|-0.00148097|0.00212624|0.00022872|0.00558353|0.03331838|-0.10752844|-0.08774224|0.00241497|-0.00615957|-0.00126230|-0.00066530|-0.00008421|-0.00047866|0.00001160|0.00000162|0.00000554|0.00000919|0.00000074|0.00000267|0.00001582|-0.00000158|-0.00000282|0.00023818|-0.00005991|0.00007105|-0.00008260|0.00056654|0.00006411|-0.00134042|0.00160409|0.00050461|-0.00001463|0.00005981|-0.00012550|-0.00006028|0.00008293|-0.00005292|0.00011516|-0.00057997|0.00068141|-0.00175284|0.00157836|-0.00579487|-0.04142046|0.11666650|0.07639465|-0.00003349|0.00011616|0.00004825|-0.00050520|-0.00031889|-0.00023382|0.00180077|-0.00086985|-0.00012217|0.01231969|0.01444151|0.01164915|-0.00333455|0.00420666|0.00148630|-0.00512461|0.00112562|-0.00187019|0.00001005|-0.00067956|-0.00072144|-0.00014721|0.00005268|0.00001607|-0.00001070|-0.00016965|-0.00003202|0.00144185|0.00029553|0.00101092|0.00094831|-0.02744510|-0.01849491|-0.10942987|-0.08198441|-0.06367113|-0.00001021|0.00000094|-0.00000125|0.00000085|-0.00001790|-0.00000721|0.00000103|-0.00001562|-0.00000713|0.00110466|0.00087122|0.00018640|-0.00010344|-0.00092102|-0.00056782|-0.00034363|-0.00020497|0.00025016|0.00003164|-0.00001160|0.00003894|0.00002564|-0.00006834|0.00005839|-0.00000704|-0.00002035|-0.00000016|-0.00007072|0.00004494|0.00000041|-0.00049334|0.00021240|0.00014700|0.10192950|-0.00002058|-0.00003919|-0.00001605|0.00077844|0.00021424|0.00029783|-0.00089110|0.00028714|0.00036412|-0.01197060|-0.00900645|-0.00838032|0.00224659|-0.00244575|-0.00158049|0.00135127|0.00368396|-0.00625613|-0.00028870|0.00098395|0.00039817|0.00015347|-0.00005363|0.00000749|-0.00043766|0.00007823|-0.00002696|0.00000690|-0.00129711|0.00244836|0.00220091|0.00285541|-0.00018942|-0.08312811|-0.24821676|-0.14307951|0.00005365|0.00001322|-0.00000502|0.00003193|-0.00000294|0.00000281|0.00000747|0.00001217|0.00000706|-0.00071997|-0.00053049|-0.00060417|-0.00062797|-0.00152172|-0.00068652|0.00010626|0.00002595|0.00007017|0.00000556|-0.00006629|0.00001410|-0.00001812|-0.00000222|-0.00003076|0.00000916|0.00005128|0.00003816|-0.00006105|0.00000057|-0.00009170|-0.00014735|-0.00007050|-0.00010230|0.09135960|0.25504693|0.00000290|-0.00003254|-0.00002208|0.00037190|0.00020807|0.00002469|-0.00018496|0.00034819|-0.00019305|-0.00506203|-0.00271159|-0.00236914|0.00062089|-0.00179767|-0.00000905|-0.00250018|-0.00571492|0.01074555|0.00044556|-0.00152294|-0.00153214|-0.00032371|0.00005649|-0.00004964|0.00030801|-0.00054822|0.00005498|-0.00031111|0.00291127|-0.00390849|-0.00265530|-0.00562802|0.00031810|-0.06085914|-0.14488338|-0.14290558|0.00002700|-0.00000660|0.00002797|-0.00000894|0.00001853|0.00000478|0.00002684|-0.00000654|-0.00000020|-0.00034221|-0.00036452|0.00057408|0.00048605|0.00229316|0.00082249|-0.00046098|-0.00009289|0.00009685|0.00003493|0.00005552|-0.00002314|-0.00002310|-0.00002741|0.00012173|0.00000963|0.00002813|-0.00005027|0.00001036|0.00001377|0.00021150|-0.00044966|0.00000303|0.00026427|0.07083723|0.15740107|0.13779581| 156.09390 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 8.6314 65.1531 88.6281 130.7479 184.7418 261.4549 286.4486 308.1973 331.0240 378.0955 414.5070 468.1051 521.1211 607.9632 626.0772 697.5313 718.5066 757.2558 824.6997 842.2162 868.7418 924.6329 937.4662 967.5357 975.4175 1024.3118 1061.2572 1089.8299 1112.1987 1155.6419 1162.3840 1164.4512 1177.3799 1204.7421 1231.1041 1251.9395 1298.2945 1360.8773 1395.6543 1427.1378 1452.1705 1465.0517 1488.1342 1498.5166 1561.2806 1563.4565 1624.7157 1625.1084 1638.4480 1641.5340 1758.5224 1786.8303 1847.0423 2551.5967 3168.8943 3202.0960 3210.6706 3216.4042 3262.1038 3276.3600 3278.8648 3281.8022 3371.1224 3405.4873 3407.1897 3409.2611 1.0194 3.7440 3.6888 3.3368 3.6352 1.0632 3.5800 3.4647 3.1498 2.9879 4.9167 4.1476 4.3306 3.1751 4.5882 3.3847 3.5558 3.9896 2.4376 3.1737 1.5557 3.5384 1.8114 2.2142 1.6508 2.4191 3.2611 1.3240 1.8209 1.5051 1.3938 1.3999 1.6474 1.5871 1.3806 1.8578 1.8687 1.3342 2.6375 1.6604 2.6062 1.9408 1.7132 1.6123 1.2483 1.2419 1.0415 1.0414 1.0480 1.0481 7.6541 6.0182 7.8474 11.9243 1.0822 1.0388 1.0346 1.0833 1.1030 1.1031 1.1032 1.1032 1.0895 1.1024 1.0966 1.0962 0.0000 0.0094 0.0171 0.0336 0.0731 0.0428 0.1731 0.1939 0.2034 0.2517 0.4977 0.5355 0.6929 0.6914 1.0596 0.9703 1.0815 1.3479 0.9768 1.3264 0.6918 1.7824 0.9379 1.2213 0.9254 1.4955 2.1640 0.9265 1.3271 1.1843 1.1096 1.1184 1.3455 1.3572 1.2329 1.7156 1.8558 1.4558 3.0269 1.9925 3.2381 2.4544 2.2353 2.1331 1.7928 1.7886 1.6198 1.6204 1.6576 1.6641 13.9457 11.3210 15.7735 45.7413 6.4031 6.2754 6.2835 6.6031 6.9154 6.9769 6.9878 7.0005 7.2953 7.5327 7.5007 7.5072 0.0003 1.3523 1.7476 0.9089 1.0452 0.1051 0.9981 2.6862 0.3998 4.8805 0.4452 2.8477 0.6501 3.9800 5.6762 3.1160 2.0556 6.0116 6.8378 1.2800 24.6845 12.9429 7.5655 5.7401 44.3370 3.5001 1.7968 1.9471 0.7547 10.4428 0.2793 0.8220 7.3387 1.1918 0.5777 1.1664 6.3549 1.0324 23.7717 0.1542 16.7009 4.6187 3.5934 4.7862 1.7210 17.5214 5.0730 5.0484 5.2430 3.4255 0.1560 4.4224 24.4283 2.5999 13.5582 37.5872 45.6470 55.0583 39.2817 19.2590 18.0843 43.9719 11.0714 21.4603 21.4961 1.8236 0.1211 1.5076 1.6180 4.4290 1.6536 0.1083 1.9831 0.9937 2.7332 5.7275 4.3206 9.1678 18.4243 12.5369 11.0636 6.3970 6.6178 9.2411 4.2860 9.0918 3.7411 3.6870 17.1944 2.8637 6.6141 8.2055 6.6652 3.1896 5.0544 3.0328 0.6164 0.1943 4.9434 8.3488 24.3572 2.8789 24.5788 24.8958 8.4387 2.3780 10.4617 11.7190 4.6483 7.5096 2.3987 45.8525 24.4154 22.9040 14.3563 16.2000 155.7291 192.8788 93.9617 723.2711 98.1570 80.9619 273.5328 202.0482 84.9105 125.0060 116.7264 29.5371 120.8349 156.2781 71.9535 107.8026 0.7496 0.6655 0.7217 0.6907 0.6571 0.7327 0.6709 0.6702 0.7481 0.7098 0.2897 0.7271 0.6746 0.5535 0.7449 0.4787 0.7208 0.2309 0.7500 0.1577 0.6534 0.3594 0.4296 0.7095 0.6664 0.7184 0.5563 0.5588 0.6976 0.4016 0.7491 0.6587 0.6778 0.5580 0.5247 0.7077 0.3309 0.3996 0.7343 0.7173 0.7210 0.3659 0.6725 0.7467 0.5465 0.4526 0.7496 0.7410 0.7346 0.7394 0.2465 0.1998 0.2968 0.3280 0.3717 0.1432 0.0462 0.2367 0.7366 0.7493 0.7496 0.5420 0.5129 0.2557 0.2468 0.3064 0.8569 0.7992 0.8384 0.8171 0.7931 0.8458 0.8030 0.8026 0.8559 0.8302 0.4493 0.8420 0.8057 0.7126 0.8538 0.6474 0.8377 0.3751 0.8571 0.2725 0.7904 0.5288 0.6010 0.8301 0.7998 0.8361 0.7149 0.7169 0.8218 0.5731 0.8566 0.7942 0.8080 0.7163 0.6883 0.8289 0.4972 0.5710 0.8468 0.8354 0.8379 0.5357 0.8042 0.8550 0.7067 0.6232 0.8569 0.8512 0.8470 0.8502 0.3956 0.3330 0.4577 0.4940 0.5420 0.2506 0.0882 0.3827 0.8483 0.8567 0.8569 0.7030 0.6780 0.4072 0.3959 0.4691

298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783

688.69195 3909.62371 4276.80117 0.99998 -0.00647 0.00040 0.00647 0.99998 0.00117 -0.00041 -0.00117 1.00000 1 0.12577 0.02215 0.02025 2.62053 0.46162 0.42198 12.42 93.74 127.52 188.12 265.80 376.18 412.14 443.43 476.27 544.00 596.38 673.50 749.78 874.72 900.79 1003.59 1033.77 1089.52 1186.56 1211.76 1249.93 1330.34 1348.80 1392.07 1403.41 1473.76 1526.91 1568.02 1600.21 1662.71 1672.41 1675.39 1693.99 1733.36 1771.28 1801.26 1867.96 1958.00 2008.04 2053.33 2089.35 2107.88 2141.09 2156.03 2246.33 2249.47 2337.60 2338.17 2357.36 2361.80 2530.12 2570.85 2657.48 3671.18 4559.33 4607.10 4619.44 4627.69 4693.44 4713.95 4717.56 4721.78 4850.29 4899.74 4902.19 4905.17 0.214842 0.225511 0.226455 0.176145 -461.079034 -461.068365 -461.067421 -461.117731 1.687406D-04 MUNgauss RevisionA2.1 retrievium 06-Apr-2022 GDB_13 Smiles: CC#CC1=CC2C(C)C=CC2=C1 RHF 6-31G(d) (6D,10F) C1 156.093900 |X|Y|Z| 19.207247 46.574105 12.632860

22.440736 8 6 8

|36.858105| |12.975341|36.858105| |7.167709|16.013869|36.858105| |4.652355|7.252879|13.256125|36.858105| |3.796389|5.298149|7.682031|14.224543|36.858105| |2.998961|3.894001|5.130920|8.249232|12.678619|36.858105| |2.505016|3.092648|3.811584|5.255777|6.952112|12.260225|36.858105| |2.532778|3.091253|3.731650|4.839400|6.074789|7.374528|12.432109|36.858105| |2.296071|2.785194|3.363303|4.481613|5.075675|8.043488|12.485952|7.538696|36.858105| |2.493083|3.068510|3.761825|5.136263|5.259931|7.972772|7.991108|5.722314|14.328429|36.858105| |3.049357|3.968857|5.231943|8.381543|8.119642|12.681267|7.980789|5.859292|8.406588|13.009895|36.858105| |3.767581|5.214515|7.401891|12.822223|8.223699|8.169719|5.486358|4.770451|5.395261|7.259567|14.326029|36.858105| |17.570860|9.024579|5.938946|4.151826|3.354591|2.763049|2.335739|2.351666|2.194150|2.412779|2.902584|3.604744|0.500000| |17.567350|9.022908|5.943563|4.147672|3.534924|2.808668|2.411589|2.502580|2.193737|2.341304|2.811676|3.380587|0.301200|0.500000| |17.567176|9.022502|5.944275|4.147293|3.533724|2.821331|2.356051|2.346101|2.154003|2.320670|2.813450|3.377839|0.301214|0.301227|0.500000| |3.781579|5.081216|6.728175|8.871137|17.756727|8.293302|5.805694|5.444808|4.203286|4.148639|5.618701|5.678401|0.090379|0.099928|0.100193|0.500000| |2.798580|3.542102|4.494334|6.513067|9.055625|17.458645|8.873434|5.527563|6.798397|6.732124|9.011157|6.440687|0.071832|0.072161|0.074971|0.199037|0.500000| |2.290318|2.765413|3.316777|4.327445|5.738254|8.669677|17.537659|8.891656|8.790470|5.950627|5.804548|4.334226|0.059169|0.061485|0.060806|0.146807|0.226529|0.500000| |2.740950|3.385611|4.124286|5.356763|6.122249|6.832814|8.781047|17.568562|6.852430|5.942340|6.306062|5.443768|0.071159|0.075404|0.069115|0.145288|0.138543|0.173515|0.500000| |2.228726|2.643050|3.090535|3.812468|4.522035|5.411895|8.772450|17.539696|6.840056|5.001394|4.671185|3.870965|0.058112|0.061578|0.057680|0.116578|0.123644|0.211551|0.301158|0.500000| |2.623449|3.189431|3.810410|4.766267|6.300857|6.579136|8.784327|17.550335|5.487294|4.506864|4.925491|4.298223|0.066509|0.072893|0.067887|0.173779|0.143883|0.214455|0.301142|0.301247|0.500000| |2.038930|2.413921|2.834066|3.583105|3.983245|5.612525|8.335265|6.274730|17.706233|8.918227|5.757243|4.179770|0.054466|0.054546|0.053403|0.096262|0.142142|0.203376|0.156364|0.182587|0.131754|0.500000| |2.331276|2.805844|3.339663|4.281815|4.167169|5.573654|5.569422|4.462715|8.881898|17.742986|8.414458|6.059504|0.063776|0.060719|0.060327|0.094799|0.140549|0.126375|0.131223|0.114410|0.101333|0.205320|0.500000| |3.807092|5.079393|6.585752|8.408616|5.726325|5.634370|4.322144|3.945160|4.507906|6.088751|8.792410|17.753061|0.105649|0.093973|0.093352|0.122359|0.133479|0.098474|0.126582|0.093073|0.099254|0.102343|0.159456|0.500000| 461.001918 -2302.039658 832.393826 -66.611593 -1075.255508 613.961635 -461.293873 2.000633 404000000000000A 41993C14D8000001 413339F780000001 40AF9E0000000000 C020000000000000 4133B2A000000000