Version2.5 2022-04-05T19:11:00Z 10.1021/ja902302h Gaussian16 RevisionB.01 RPOIRIER 09-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#CC12CC(C1)(CC=C2)C#C RHF 6-31G(d) (6D,7F) CC#CC12CC(C1)(CC=C2)C#C C1[X(C12H12)] 66 C1 204 CC#CC12CC(C1)(CC=C2)C#C CC#CC12C=CCC(C1)(C2)C#C CC#CC12CC(CC=C1)(C2)C#C InChIKey=XCBKBUJEHDSLCC-UHFFFAOYSA-N InChI=1S/C12H12/c1-3-6-12-8-5-7-11(4-2,9-12)10-12/h2,5,8H,7,9-10H2,1H3 InChI=1/C12H12/c1-3-6-12-8-5-7-11(4-2,9-12)10-12/h2,5,8H,7,9-10H2,1H3 CC#CC12CC(C1)(CC=C2)C#C C01[X(C12H12)] 66 C1 204 CC#CC12CC(C1)(CC=C2)C#C CCC[C@]12CCC[C@](C1)(C2)CC CCCC12CCCC(CC)(C1)C2 InChIKey=KYIVUCWXBPDPAD-TXEJJXNPSA-N InChI=1S/C12H22/c1-3-6-12-8-5-7-11(4-2,9-12)10-12/h3-10H2,1-2H3/t11-,12+ InChI=1/C12H22/c1-3-6-12-8-5-7-11(4-2,9-12)10-12/h3-10H2,1-2H3/t11-,12+ 4.609711546924D+02 -2.322181614260D+03 624.1386557886 -461.2386772 1-A 2418.3460 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| -11.26001 -11.25902 -11.24195 -11.23128 -11.22864 -11.22863 -11.22678 -11.22434 -11.22288 -11.21742 -11.21533 -11.20896 -1.19476 -1.06164 -1.05051 -1.03033 -0.98872 -0.94607 -0.91017 -0.84994 -0.81741 -0.74024 -0.70345 -0.69143 -0.63926 -0.61818 -0.60605 -0.59437 -0.58619 -0.58481 -0.56588 -0.55366 -0.55080 -0.51158 -0.46990 -0.46529 -0.45444 -0.37993 -0.37781 -0.36679 -0.36043 -0.33685 |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| 0.16559 0.22028 0.22150 0.22994 0.24750 0.25045 0.25651 0.26857 0.27777 0.29088 0.30984 0.31328 0.31975 0.33521 0.33625 0.34424 0.35521 0.37005 0.39676 0.40222 0.41639 0.43084 0.44463 0.48630 0.50670 0.54051 0.55688 0.61205 0.62971 0.64426 0.69758 0.71490 0.72514 0.73813 0.74051 0.76898 0.78098 0.79041 0.81610 0.82081 0.84954 0.86122 0.86254 0.88591 0.90462 0.91965 0.92008 0.93605 0.94730 0.95266 0.97931 0.99790 1.01574 1.03807 1.04586 1.09370 1.09982 1.11014 1.11158 1.11899 1.12570 1.13509 1.13952 1.15552 1.15724 1.16733 1.18759 1.19439 1.19715 1.21814 1.23024 1.23270 1.24150 1.29922 1.32651 1.33736 1.38810 1.45696 1.50225 1.51079 1.53696 1.57785 1.58542 1.66820 1.67394 1.74165 1.77107 1.79001 1.82417 1.83320 1.84317 1.84523 1.85273 1.86374 1.87891 1.92776 1.94066 1.97110 1.97601 2.00718 2.04869 2.06275 2.09281 2.17796 2.19978 2.20364 2.21258 2.25779 2.25896 2.27188 2.28652 2.30044 2.30258 2.33788 2.34411 2.37655 2.40507 2.41339 2.43809 2.48119 2.53977 2.54236 2.57363 2.57869 2.61491 2.64040 2.65740 2.68155 2.69139 2.73777 2.75008 2.75140 2.81206 2.82329 2.92932 2.94194 2.96053 2.99476 3.01764 3.04281 3.08795 3.15045 3.24149 3.25285 3.29389 3.34393 3.39084 3.47175 3.85303 3.95512 4.55302 4.62388 4.64944 4.65359 4.69783 4.78398 4.82103 4.92282 4.99702 5.10234 5.28818 5.60847 13.67198 -0.5157 0.1863 -0.0009 0.5483 |XX|YY|ZZ|XY|XZ|YZ| -62.0369 -67.5911 -72.6611 0.7713 -0.0040 0.0022 |XX|YY|ZZ|XY|XZ|YZ| 5.3928 -0.1613 -5.2314 0.7713 -0.0040 0.0022 |XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| -34.5713 -0.4085 0.3503 11.6272 -22.7383 -0.0443 -2.3862 0.5485 -0.3368 0.0996 |XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY| -2089.3399 -674.1700 -203.3991 -46.8089 0.2974 -30.0820 0.9521 -1.7695 -0.3322 -433.7505 -449.0993 -167.9199 -0.8238 1.4364 8.6678 1 |0.58604368|0.01020227|0.61944751|-0.00001580|-0.00001533|0.62191620|-0.29651228|0.06166908|-0.00071404|1.54187049|0.06106611|-0.09687513|0.00017852|-0.39941175|0.22646999|-0.00061088|0.00019229|-0.07914363|0.00401140|-0.00113161|0.11463832|-0.00018460|0.00163675|0.00000330|-1.18870989|0.31825453|-0.00317336|1.54031031|0.00218794|0.00682282|-0.00040385|0.31756932|-0.14084380|0.00107930|-0.39686271|0.24042447|0.00008499|0.00036194|0.00729068|-0.00324259|0.00072021|-0.05247658|0.00399758|-0.00112552|0.11556879|0.00086793|0.00108263|0.00026038|-0.00131339|0.00192836|-0.00021029|-0.28984380|0.06027541|-0.00058076|0.69013860|0.00186717|0.00572529|0.00045326|0.00170198|0.00727746|-0.00025861|0.06460205|-0.10070670|0.00016305|-0.03678501|0.54059444|-0.00017734|-0.00056392|0.00664473|0.00006874|0.00034958|0.00794320|-0.00057199|0.00017404|-0.08662990|0.00075414|-0.00025844|0.40490098|-0.00005781|0.00040420|0.00063011|0.00189628|-0.00025292|0.00036395|-0.02524047|-0.00974392|-0.02090208|-0.10367470|-0.01379781|-0.05745761|0.40840002|-0.00034299|0.00018813|-0.00059945|0.00250392|-0.00121575|-0.00103980|0.00153204|0.00538275|0.01305661|-0.01338280|-0.10035603|-0.02900834|-0.06521706|0.69002600|-0.00049473|-0.00007413|-0.00012556|0.00268400|-0.00154529|-0.00015492|-0.00144033|0.00515559|0.00633335|-0.04266320|-0.02768416|-0.11797257|0.00550256|-0.04027586|0.68073644|0.00015142|0.00035652|-0.00002079|-0.00034156|0.00043309|0.00001204|-0.00592549|-0.00582996|0.00000285|-0.08809271|-0.00978607|-0.00019770|-0.11903847|0.00814330|0.05187528|0.64053280|-0.00001244|0.00005661|0.00007076|-0.00076918|0.00082645|-0.00003483|-0.00360899|-0.00260259|-0.00001025|-0.03641961|0.00788771|-0.00009797|0.01017489|-0.09517463|-0.00477699|0.06738433|0.58085508|-0.00003344|-0.00011581|0.00011906|0.00001763|0.00006044|0.00019383|-0.00000275|-0.00001082|-0.00293522|-0.00016497|-0.00003537|-0.00068256|0.06735081|0.00150535|-0.12250561|0.00040452|-0.00004154|0.44063873|0.00003838|0.00073136|-0.00050812|0.00187671|-0.00037262|-0.00038164|-0.02534947|-0.00967425|0.02077424|-0.10415099|-0.01377874|0.05754941|0.00123094|-0.00328204|0.00397122|-0.11847419|0.00998594|-0.06736953|0.40843465|-0.00039078|0.00004494|0.00030936|0.00252147|-0.00110243|0.00121997|0.00159869|0.00534560|-0.01304019|-0.01340043|-0.10021284|0.02888418|-0.00323088|0.01373741|-0.01267383|0.00802602|-0.09515981|-0.00153324|-0.06539026|0.69019914|0.00054551|0.00026153|-0.00022787|-0.00271556|0.00140923|-0.00012660|0.00127805|-0.00520597|0.00648733|0.04275978|0.02756334|-0.11762736|-0.00348805|0.01237618|-0.09697295|-0.05189118|0.00475726|-0.12309998|-0.00662980|0.03996580|0.68050460|-0.00000266|0.00002489|0.00000174|0.00047999|-0.00014414|0.00000047|0.00061447|-0.00059899|0.00000194|-0.00014484|0.00019848|0.00002348|-0.00972839|0.02218324|-0.00000366|-0.11099359|0.03245446|-0.00009488|-0.00966283|0.02202426|-0.00009748|0.62913928|0.00001472|0.00000613|0.00003111|-0.00017922|0.00002581|-0.00001468|-0.00068906|-0.00049124|-0.00000192|0.00186269|0.00040738|-0.00001099|0.00909019|-0.00535377|-0.00354487|0.03705584|-0.18293679|0.00021197|0.00903821|-0.00526000|0.00359991|-0.01215690|0.51928487|0.00000981|0.00003417|0.00005994|-0.00000367|-0.00001596|0.00007173|0.00000323|-0.00000146|-0.00018906|0.00002143|-0.00001320|-0.01028355|0.01331523|-0.03266409|-0.00047179|-0.00010204|0.00020226|-0.08911062|-0.01338204|0.03278301|-0.00062805|-0.00003275|0.00014618|0.65144286|0.00000284|0.00009961|-0.00002402|0.00045554|0.00000439|0.00000985|0.00019416|-0.00060427|-0.00000025|-0.00115281|0.01225786|-0.00003185|0.00010593|-0.00121377|-0.00121380|0.01285739|0.00416671|0.00002464|0.00010112|-0.00121738|0.00121563|-0.18370539|-0.07045761|-0.00011106|0.91001196|-0.00015861|0.00022673|0.00009657|0.00199696|0.00029669|-0.00004758|-0.00104015|-0.00742508|0.00000358|0.03623265|-0.01947458|0.00012341|0.00363014|-0.00127298|0.00033287|-0.02875169|-0.03034575|-0.00002921|0.00362990|-0.00126693|-0.00031059|-0.05810662|-0.16896656|-0.00003266|-0.15831998|0.76542825|-0.00000661|-0.00002515|-0.00006466|0.00000039|0.00000948|0.00013732|0.00000254|0.00000952|0.00007010|-0.00005925|0.00006314|0.00440850|0.00017952|-0.00153089|0.00030305|0.00006740|0.00005086|0.00017785|-0.00019329|0.00152770|0.00030524|-0.00013610|-0.00006467|-0.09183015|0.00199232|-0.00114551|0.17872724|0.00002797|-0.00102385|-0.00033963|-0.00163624|-0.00087672|0.00016610|-0.00981366|0.04356293|-0.00007165|-0.10933727|0.01358099|-0.00009496|0.00453908|-0.01473118|0.00157095|0.00068949|0.00192871|-0.00000003|0.00455067|-0.01488918|-0.00150589|-0.03326524|0.00524121|-0.00011554|-0.59677528|0.15801510|-0.00151101|1.01262547|0.00055604|0.00004460|0.00004324|-0.00488709|-0.00009090|-0.00000404|0.01142370|-0.00957801|0.00004408|0.01638016|-0.21759069|0.00022018|-0.00702469|-0.02492234|-0.00532260|-0.00210947|0.00126771|-0.00000725|-0.00705121|-0.02481623|0.00534596|-0.02461769|0.01701158|-0.00006926|0.16749751|-0.19560732|0.00058090|-0.03028353|0.65163409|0.00001193|0.00003267|0.00001055|-0.00001337|-0.00003742|0.00061242|-0.00003901|0.00011578|0.00077751|-0.00010392|0.00022303|-0.07665589|0.00074408|-0.03218135|-0.00166900|0.00000498|0.00000254|-0.00035583|-0.00069694|0.03216845|-0.00177486|-0.00006779|0.00000296|0.00951787|-0.00153166|0.00055960|-0.06915911|0.00210933|-0.00069374|0.17886307|0.00004993|0.00009929|-0.00001057|-0.00053626|0.00032947|0.00000272|-0.00097613|-0.00173200|-0.00000540|-0.00936418|0.00077192|-0.00001921|-0.02298282|-0.01511808|-0.00051305|-0.19835126|-0.11047982|-0.00012204|-0.02292156|-0.01501055|0.00041733|0.01377749|-0.00071364|0.00003303|-0.00221538|0.00324470|-0.00001163|0.00027988|0.00095020|-0.00000007|0.96229881|-0.00014793|0.00001027|-0.00001057|0.00019425|-0.00015637|0.00000206|0.00086311|0.00087629|0.00000537|0.00318914|0.00049289|0.00000333|-0.00408895|0.00312128|0.00539098|-0.10839747|-0.18730625|-0.00014700|-0.00409843|0.00304796|-0.00540141|-0.03005859|-0.03281875|-0.00002821|0.00405585|-0.00608426|0.00001867|0.00050862|0.00000684|0.00000133|0.75654939|0.82393460|0.00001535|0.00005288|-0.00011187|-0.00000852|-0.00002707|-0.00010745|-0.00000990|-0.00000312|0.00250875|-0.00002028|-0.00000112|-0.00211823|0.01315380|0.02164566|0.00526676|-0.00009826|-0.00012617|-0.09036888|-0.01327873|-0.02170801|0.00527541|0.00007064|0.00004131|0.00031632|-0.00001320|0.00001766|0.00114293|0.00000058|0.00000172|-0.00009468|0.00069716|0.00060225|0.12211314|0.00019101|-0.00004227|0.00001013|-0.00018572|0.00000212|-0.00000425|-0.00034239|-0.00023151|-0.00000089|-0.00041453|0.00017248|-0.00000163|0.00220199|-0.00159442|-0.00203569|0.00358470|-0.00412526|-0.00000104|0.00219278|-0.00159643|0.00205230|-0.00484310|0.00273398|-0.00001476|0.00147565|-0.00134148|0.00000424|0.00031895|0.00053812|-0.00000022|-0.72976236|-0.61956098|-0.00051131|0.99327738|0.00018424|-0.00005464|0.00000895|-0.00023970|0.00015263|-0.00000235|-0.00045627|-0.00048953|-0.00000140|-0.00129712|0.00064823|-0.00000267|0.00174978|-0.00222940|-0.00302930|-0.00464916|0.00674712|0.00000815|0.00173667|-0.00221588|0.00304200|-0.00221603|0.00178733|-0.00000808|0.00090354|-0.00029015|0.00000321|0.00010345|0.00022661|-0.00000025|-0.61946081|-0.61321701|-0.00047320|0.84099815|0.83438822|0.00000095|0.00000263|0.00002325|-0.00000056|-0.00000043|0.00000873|-0.00000002|-0.00000015|-0.00010593|-0.00000031|-0.00000009|0.00024836|0.00002564|-0.00143062|-0.00005100|-0.00002219|-0.00001156|0.01018332|-0.00001866|0.00142635|-0.00005433|-0.00000700|0.00000440|0.00007593|0.00000093|-0.00000223|0.00034800|0.00000037|0.00000137|0.00003566|-0.00047535|-0.00044011|-0.05080118|0.00055660|0.00051139|0.07075043|-0.12720419|-0.07294730|-0.10139528|-0.02521109|-0.01777175|-0.02681676|-0.00048146|0.00133436|0.00127974|0.00054326|0.00066028|0.00063563|0.00013150|0.00014964|0.00023131|-0.00003565|-0.00000588|-0.00005056|-0.00002637|0.00020297|-0.00014004|0.00002353|-0.00001922|0.00002364|0.00001740|0.00024985|0.00000020|-0.00056048|-0.00026112|0.00009044|-0.00001277|0.00005769|0.00002262|-0.00008268|-0.00007703|0.00000549|0.14082686|-0.07245293|-0.13172109|-0.10403217|0.00637337|0.00775724|0.01177613|0.00112037|-0.00028891|-0.00091800|-0.00010925|-0.00010484|-0.00029273|0.00001188|-0.00008568|-0.00001338|-0.00000013|0.00003287|0.00001163|0.00004410|-0.00009118|-0.00000763|-0.00000642|0.00001684|-0.00000501|-0.00001755|-0.00003079|0.00000638|0.00003033|0.00007696|-0.00001557|-0.00000472|-0.00001352|-0.00000287|0.00001254|0.00001483|0.00000318|0.07788361|0.13678439|-0.10091767|-0.10417910|-0.20189783|-0.00041510|0.00425867|0.00324593|0.00075769|-0.00061508|0.00034192|-0.00011274|-0.00022279|-0.00006191|0.00001422|0.00005088|0.00000968|-0.00000002|-0.00002436|0.00000544|-0.00004794|0.00006731|-0.00001575|0.00000175|-0.00001904|-0.00000138|0.00001719|-0.00000186|0.00000530|0.00007684|-0.00009210|0.00001035|-0.00000423|0.00001360|0.00000075|-0.00001897|-0.00001115|-0.00000103|0.11205403|0.11491827|0.21373642|-0.05827991|0.02140842|-0.00410865|-0.00756840|0.04192295|-0.00784572|-0.00171212|-0.00133021|0.00027205|0.00022174|-0.00135488|0.00052475|-0.00012178|0.00016987|0.00021565|-0.00018456|-0.00007200|0.00004389|-0.00026167|0.00030819|-0.00033359|0.00001882|0.00001652|-0.00000551|-0.00000987|0.00012260|0.00000747|-0.00014851|-0.00024216|-0.00002016|-0.00004229|0.00006903|-0.00002127|-0.00007483|-0.00009748|0.00000085|0.00228539|-0.01849646|0.00559926|0.06431220|0.02075767|-0.33563613|0.05321882|0.00597427|-0.00576388|0.00057046|-0.00074869|0.00062408|0.00008111|-0.00005857|0.00024803|-0.00004814|0.00005182|-0.00009410|-0.00010613|0.00005458|0.00002250|0.00000319|0.00001198|-0.00011882|0.00013540|-0.00000613|-0.00001084|-0.00000216|-0.00000093|-0.00003475|-0.00000065|0.00003234|0.00009219|0.00000402|0.00001018|-0.00003277|-0.00000249|0.00004510|0.00005386|-0.00000223|0.00075127|-0.01687624|0.00365574|-0.02629079|0.36234548|-0.00399213|0.05318201|-0.06711937|-0.00081010|-0.00130560|-0.00095112|0.00027619|0.00020107|0.00077512|-0.00004154|-0.00004675|0.00022718|0.00007008|0.00003144|-0.00002968|0.00000190|-0.00001462|0.00005170|-0.00009382|0.00004749|-0.00002974|-0.00000027|-0.00000389|-0.00002146|0.00000772|-0.00001463|0.00000882|0.00005468|-0.00001984|-0.00001038|0.00000314|0.00000562|-0.00002031|-0.00000681|-0.00001015|-0.00000842|0.00355005|-0.02750065|0.00687924|0.00456757|-0.05879248|0.06481211|-0.10528945|-0.02351523|0.10623017|-0.02195754|-0.00619883|0.03449129|-0.00065024|0.00110525|-0.00161631|0.00024262|-0.00006700|-0.00109627|-0.00012080|0.00037835|0.00018130|-0.00004469|-0.00005226|0.00001985|0.00012429|0.00019931|-0.00017161|0.00002045|-0.00002511|-0.00002257|0.00001425|0.00015447|-0.00000383|-0.00026982|-0.00021603|-0.00006792|-0.00001355|0.00005983|-0.00000856|-0.00008512|-0.00008257|-0.00000714|0.00995404|0.00558187|-0.01700421|0.00170964|-0.00064649|-0.00358724|0.11655319|-0.02325731|-0.06809818|0.05064334|0.00539884|0.00154738|-0.01230109|0.00083152|0.00026400|0.00065717|-0.00001581|0.00013815|0.00056071|0.00013929|-0.00013960|-0.00004649|0.00000732|0.00004056|0.00003994|-0.00006250|-0.00007670|-0.00000706|-0.00000572|0.00002174|-0.00001161|-0.00001456|-0.00001616|0.00000873|-0.00003216|0.00008759|0.00001145|0.00000074|-0.00001796|-0.00001898|0.00002026|0.00001643|-0.00000305|0.00969495|0.00455038|-0.01783248|-0.01602240|-0.00487726|0.03425503|0.02328256|0.06658919|0.10557311|0.05083202|-0.28737710|0.00114649|-0.00291513|0.00617603|-0.00109166|0.00063018|-0.00004985|0.00007061|0.00008889|-0.00010235|0.00000723|-0.00004511|-0.00005004|0.00000195|0.00000125|0.00001057|-0.00004556|-0.00002716|0.00002155|-0.00000191|0.00000637|-0.00000594|-0.00000822|-0.00002433|0.00001213|0.00002853|0.00005879|0.00001697|0.00000730|-0.00001065|0.00000017|0.00001953|0.00001382|0.00000140|0.01051366|0.00606860|-0.02225348|0.00110924|0.00128678|-0.00455011|-0.11733889|-0.05594161|0.30816088|0.00012159|-0.00005350|0.00002117|-0.00077989|0.00014820|0.00034025|0.00072598|-0.00060866|-0.00125296|-0.00019158|0.01485906|-0.01611914|-0.06774229|0.01500711|-0.02531970|0.00738400|-0.01660039|0.01907653|-0.00166586|-0.00026095|0.00072733|0.00240640|-0.00130205|-0.00132264|0.00042078|0.00008324|0.00053160|0.00033968|0.00256655|0.00150259|0.00057141|0.00113424|0.00163862|-0.00086718|-0.00073041|-0.00040030|-0.00008297|0.00001838|-0.00000122|-0.00003792|0.00002570|0.00001721|-0.00010370|0.00003774|0.00002062|0.05726952|-0.00000047|-0.00003811|0.00006278|-0.00032384|0.00021297|0.00011880|0.00061990|-0.00024232|-0.00037559|-0.00094419|0.00607632|-0.01206065|0.01610706|-0.13713750|0.12920214|0.00010868|0.00103205|-0.00473659|-0.00003250|-0.00031259|-0.00277838|-0.00000406|0.00034622|-0.00043087|-0.00009541|0.00006367|-0.00023432|-0.00035841|0.00160102|-0.00110178|-0.00024184|-0.00012074|0.00015598|-0.00014565|0.00007890|-0.00002533|0.00000217|0.00000948|-0.00001271|-0.00000975|0.00000435|-0.00000687|-0.00001187|0.00001613|-0.00000088|-0.01774658|0.14046152|0.00008577|-0.00006775|0.00003994|-0.00048832|0.00018785|0.00012245|0.00016792|-0.00051849|-0.00074552|0.00078209|0.00809387|-0.01238851|-0.02539314|0.12563621|-0.27488190|-0.00491067|0.00757770|-0.01222944|0.00105318|-0.00349081|-0.00691151|-0.00038064|0.00127330|0.00080217|0.00085890|-0.00082949|0.00075793|-0.00115644|0.00216588|0.00156983|-0.00010108|-0.00069639|-0.00091874|0.00056113|0.00052860|0.00018833|-0.00005472|0.00002952|-0.00001058|-0.00003481|0.00001926|-0.00000530|-0.00010872|0.00003956|0.00001667|0.02799691|-0.13703811|0.29676225|-0.00009855|0.00000258|-0.00001716|-0.00031233|0.00044171|0.00016243|0.00231137|-0.00038300|0.00137208|0.00631807|-0.02806464|-0.00492951|-0.06699116|0.06208527|0.00965400|-0.00678295|0.03184391|0.00455878|-0.00143104|-0.00038562|-0.00026589|-0.00373951|-0.00115177|0.00596065|-0.00065681|-0.00149708|-0.00014667|-0.00240135|-0.00134769|-0.00452406|0.00202462|0.00143119|-0.00128648|-0.00007205|-0.00072464|-0.00027192|0.00006603|-0.00000912|0.00000516|0.00001229|-0.00001601|-0.00002564|0.00001707|-0.00002179|-0.00001631|0.00031287|0.00316594|0.00059526|0.07083752|-0.00003530|-0.00004699|0.00002007|-0.00066092|0.00048993|0.00021168|0.00104616|0.00084526|0.00056531|0.00333583|-0.01291742|-0.00090554|0.06250609|-0.33475840|-0.04541758|-0.00016469|0.00006272|0.00098105|-0.00032065|-0.00011008|0.00122486|-0.00054765|0.00094840|0.00011109|-0.00061774|-0.00000088|-0.00031189|-0.00120294|-0.00033298|-0.00258785|-0.00050170|0.00085471|-0.00003871|0.00033855|0.00052714|0.00016363|0.00002628|0.00000621|0.00000625|-0.00001300|0.00000538|-0.00002597|-0.00003073|-0.00000939|-0.00000839|0.00340223|-0.01394199|-0.00303189|-0.06653546|0.35754591|-0.00002464|-0.00001490|-0.00001052|-0.00037248|0.00033221|-0.00003242|0.00093926|-0.00002788|0.00146380|0.00579322|-0.01861157|-0.00293119|0.00859403|-0.04077365|-0.07318413|0.00314467|-0.01976444|-0.00289228|0.00018900|-0.00058751|0.00106823|0.00136571|0.00105282|-0.00362782|0.00041786|-0.00050142|0.00076779|-0.00206588|0.00009763|-0.00268379|-0.00064218|-0.00051819|0.00148964|0.00008952|0.00044147|-0.00004152|0.00002117|-0.00000157|-0.00000602|-0.00000707|-0.00000012|-0.00000615|0.00002080|0.00000024|-0.00000742|-0.00689393|0.03049719|0.00903965|-0.01133157|0.04950861|0.07189659|-0.00012311|-0.00007565|0.00002799|-0.00029923|0.00047479|-0.00016711|0.00232052|-0.00038039|-0.00137090|0.00632434|-0.02814321|0.00504224|-0.00143122|-0.00038825|0.00025457|-0.00674882|0.03174216|-0.00466271|-0.06688452|0.06181268|-0.00976320|-0.00370462|-0.00116206|-0.00595873|-0.00065572|-0.00149934|0.00014475|-0.00243317|-0.00133412|0.00452922|0.00201513|0.00143345|0.00128473|-0.00007238|-0.00072231|0.00027414|0.00002122|-0.00000032|0.00001285|0.00002883|-0.00000844|0.00002636|0.00005327|0.00000534|-0.00000755|-0.00006917|-0.00006064|-0.00008390|0.00062128|-0.00005704|-0.00001936|0.07071542|-0.00004817|-0.00009060|0.00000802|-0.00065371|0.00050038|-0.00023067|0.00104535|0.00084357|-0.00055846|0.00331439|-0.01286123|0.00094492|-0.00031453|-0.00011163|-0.00122407|-0.00016565|0.00010084|-0.00098777|0.06222568|-0.33453955|0.04636608|-0.00054940|0.00094603|-0.00012337|-0.00061987|0.00000184|0.00031101|-0.00121005|-0.00032542|0.00257490|-0.00050203|0.00085631|0.00003670|0.00033929|0.00052607|-0.00016372|-0.00000940|0.00000359|0.00000725|-0.00001651|0.00001785|0.00001750|0.00001508|0.00001287|-0.00000901|-0.00010227|0.00030977|0.00025451|-0.00005789|0.00090583|0.00013570|-0.06622603|0.35729511|0.00003284|0.00004138|-0.00003713|0.00036698|-0.00034705|-0.00002341|-0.00093723|0.00002629|0.00145634|-0.00575877|0.01849901|-0.00298240|-0.00020030|0.00058902|0.00106982|-0.00316652|0.01991290|-0.00297962|-0.00870693|0.04171956|-0.07348719|-0.00136489|-0.00106996|-0.00366014|-0.00042294|0.00049655|0.00076355|0.00206985|-0.00011036|-0.00265851|0.00064570|0.00052740|0.00149686|-0.00009031|-0.00044670|-0.00003865|-0.00002007|-0.00000778|-0.00000160|-0.00000886|0.00000284|0.00000357|-0.00000717|-0.00000341|-0.00000249|0.00011073|-0.00045873|0.00033441|0.00002828|-0.00014104|-0.00117239|0.01148577|-0.05053678|0.07225597|0.00014907|0.00003946|-0.00000712|-0.00079625|0.00010090|-0.00036230|0.00072211|-0.00061132|0.00125924|-0.00026622|0.01493890|0.01614082|-0.00165656|-0.00027939|-0.00070128|0.00745219|-0.01661220|-0.01893825|-0.06798727|0.01567091|0.02626651|0.00239792|-0.00129225|0.00133408|0.00042708|0.00007743|-0.00053298|0.00034154|0.00257273|-0.00151597|0.00057982|0.00112658|-0.00163415|-0.00086673|-0.00072647|0.00039718|-0.00007625|0.00000414|-0.00001356|-0.00007999|0.00002964|-0.00001731|-0.00007883|0.00000415|-0.00000188|0.00222610|0.00023327|-0.00017817|-0.00006890|-0.00010130|-0.00011259|0.00028279|0.00340439|0.00684098|0.05753613|-0.00000031|-0.00004068|-0.00000632|-0.00032061|0.00021345|-0.00014524|0.00061739|-0.00024049|0.00037627|-0.00100352|0.00608774|0.01200989|-0.00004880|-0.00029662|0.00276202|0.00009744|0.00102574|0.00470571|0.01678686|-0.13777571|-0.12947179|-0.00000548|0.00034441|0.00043156|-0.00009847|0.00006692|0.00023406|-0.00036031|0.00159877|0.00109774|-0.00024093|-0.00011983|-0.00015905|-0.00014731|0.00007796|0.00002495|0.00000211|0.00001944|-0.00000869|-0.00001113|0.00000092|-0.00001010|-0.00001192|0.00001080|0.00000742|0.00022965|0.00096753|0.00084592|-0.00006277|0.00031025|0.00045860|0.00331128|-0.01401197|-0.03042488|-0.01846992|0.14114597|-0.00009470|0.00003403|-0.00003190|0.00048964|-0.00017182|0.00016259|-0.00016234|0.00051571|-0.00074040|-0.00072145|-0.00806904|-0.01232365|-0.00102863|0.00347225|-0.00693542|0.00500582|-0.00768954|-0.01228784|0.02633791|-0.12591671|-0.27401811|0.00038821|-0.00127776|0.00081266|-0.00085996|0.00083144|0.00074786|0.00115082|-0.00215270|0.00157122|0.00010925|0.00069947|-0.00092652|-0.00056579|-0.00053157|0.00018861|0.00008162|-0.00002060|0.00002096|0.00005449|-0.00002463|0.00000911|0.00006525|-0.00002546|0.00000303|0.00019630|-0.00085118|-0.00163204|0.00008214|-0.00025493|0.00033357|-0.00064627|0.00310592|0.00913765|-0.02909221|0.13734980|0.29582093|0.00005742|-0.00001155|-0.00000166|-0.00004339|0.00001850|0.00000956|0.00013859|0.00011403|0.00001980|0.00064211|-0.00043069|-0.00142638|0.00028194|-0.00042029|-0.00118252|-0.00763491|0.00196163|-0.01015799|0.00052844|0.00278092|0.00071576|-0.14817017|0.02305977|-0.12962339|-0.01943415|0.00494061|-0.02267816|-0.00121150|-0.00447644|-0.00007664|0.00014668|-0.00084908|0.00072179|0.00041440|0.00027845|0.00006496|-0.00001513|-0.00000208|-0.00000046|-0.00002537|0.00001385|-0.00000432|-0.00002780|-0.00000155|0.00000545|-0.00043381|-0.00009823|0.00069221|0.00022133|0.00000034|0.00032414|-0.00061291|-0.00004291|-0.00029595|0.00000993|-0.00012553|-0.00004780|0.16089899|-0.00000284|-0.00000637|-0.00001810|0.00001683|0.00004628|-0.00001948|0.00008890|0.00016638|-0.00012967|-0.00000249|-0.00038363|-0.00053728|-0.00166066|0.00156811|0.00074166|0.02187727|-0.00507042|0.03065682|0.00057454|-0.00747541|-0.00098052|0.02020898|-0.06508160|0.02722112|-0.01540022|0.00718827|-0.02192668|-0.00210984|-0.00363028|0.00055068|0.00115015|0.00158142|0.00068768|-0.00069171|-0.00008958|-0.00034730|-0.00000203|-0.00000673|0.00000745|-0.00000917|0.00000734|0.00000871|0.00001745|-0.00000544|-0.00000165|0.00025727|0.00029191|-0.00067371|-0.00015777|0.00000589|-0.00012392|0.00241075|0.00015529|0.00093041|-0.00037157|0.00011745|-0.00004397|-0.02323740|0.06875138|0.00003861|-0.00000567|-0.00000843|-0.00003066|0.00001557|-0.00000298|-0.00003680|-0.00005594|0.00012411|0.00017909|-0.00024349|0.00034397|0.00020707|0.00046833|0.00140673|0.00111990|-0.00050919|0.00054375|0.00079503|0.00001721|0.00086933|-0.12855742|0.03180369|-0.24200268|0.00140008|-0.00112199|0.00458090|0.00078189|-0.00057608|-0.00006295|-0.00033628|0.00002682|0.00028930|0.00065648|0.00011781|0.00011861|-0.00001358|0.00000116|-0.00000337|-0.00001507|0.00000829|-0.00000234|-0.00001528|0.00000122|0.00000517|-0.00050189|0.00013606|0.00008566|-0.00009207|0.00006501|0.00006389|-0.00010423|0.00009975|0.00016843|0.00022538|-0.00003134|0.00028446|0.14232612|-0.03410287|0.25924091|0.00005401|-0.00002365|-0.00001341|-0.00004158|0.00002466|-0.00000333|0.00013828|0.00011375|-0.00001980|0.00063610|-0.00042808|0.00142905|0.00053607|0.00277873|-0.00072468|-0.00767667|0.00198575|0.01011163|0.00027730|-0.00041502|0.00117781|-0.14941824|0.02356197|0.12999342|-0.01952876|0.00499999|0.02254317|-0.00120647|-0.00447815|0.00008344|0.00014801|-0.00085031|-0.00072015|0.00041800|0.00027867|-0.00006452|-0.00003038|-0.00000168|-0.00000048|-0.00002338|0.00001640|0.00000452|-0.00001317|0.00000152|0.00000385|0.00001076|-0.00012559|0.00004683|-0.00061465|-0.00004191|0.00029221|0.00022249|-0.00000021|-0.00032337|-0.00043273|-0.00009927|-0.00069426|0.01447243|-0.00338186|-0.01732468|0.16226366|0.00000313|0.00001523|-0.00000803|0.00001355|0.00003592|0.00003191|0.00008841|0.00016643|0.00013040|-0.00000533|-0.00038123|0.00053945|0.00056741|-0.00747260|0.00100428|0.02201552|-0.00514680|-0.03053268|-0.00165784|0.00156503|-0.00074980|0.02068690|-0.06524931|-0.02759531|-0.01550401|0.00725164|0.02184229|-0.00210778|-0.00363050|-0.00055046|0.00115567|0.00158011|-0.00068590|-0.00069578|-0.00008889|0.00034506|0.00001636|-0.00000835|0.00000662|-0.00001370|0.00000472|-0.00000530|0.00000102|-0.00001232|-0.00000227|-0.00037228|0.00011759|0.00004258|0.00241501|0.00015349|-0.00091865|-0.00015807|0.00000612|0.00012333|0.00025554|0.00029321|0.00067440|-0.00335529|0.00127646|0.00435014|-0.02378820|0.06893632|-0.00003710|0.00000970|-0.00000706|0.00002980|-0.00001762|-0.00000388|0.00003655|0.00005618|0.00012372|-0.00017763|0.00024293|0.00034767|-0.00079777|0.00001875|0.00085947|-0.00121917|0.00053400|0.00066789|-0.00020767|-0.00047084|0.00141426|0.12893109|-0.03216263|-0.24055979|-0.00147702|0.00113897|0.00461969|-0.00078151|0.00056389|-0.00006652|0.00033253|-0.00003449|0.00028874|-0.00065318|-0.00011580|0.00011465|0.00001643|-0.00000017|0.00000346|0.00001330|-0.00000921|-0.00000063|0.00001339|-0.00000316|-0.00000374|-0.00022574|0.00003111|0.00028338|0.00009382|-0.00009987|0.00017312|0.00009321|-0.00006488|0.00006261|0.00049858|-0.00013706|0.00008328|0.01752876|-0.00444010|-0.02555951|-0.14271251|0.03449930|0.25764753|0.00008771|-0.00007047|-0.00003118|-0.00045006|-0.00001557|0.00001549|0.00017055|0.00183141|-0.00000158|-0.00557225|-0.00043680|-0.00004351|-0.00063486|-0.00012540|0.00000819|-0.00553067|-0.00260376|-0.00001065|-0.00063568|-0.00011587|-0.00001265|0.01200605|-0.02614609|0.00005456|-0.08215418|0.05763506|-0.00015874|-0.00026693|0.03736508|-0.00006588|0.00112084|-0.00161434|0.00000495|-0.00047654|-0.00031265|-0.00000044|-0.00007602|0.00000565|0.00000020|-0.00005682|0.00002253|0.00000375|-0.00005185|0.00000363|0.00001002|0.00021202|0.00004115|0.00000795|0.00019935|0.00007197|0.00002905|0.00020139|0.00007274|-0.00003013|0.00021146|0.00004150|-0.00000628|0.00070210|0.00103552|-0.00067522|0.00070222|0.00103994|0.00067566|0.07924744|-0.00006499|0.00002183|0.00000813|0.00012447|-0.00001699|-0.00000328|0.00010348|-0.00054152|0.00000101|0.00165199|0.00192696|0.00001733|-0.00030457|0.00039562|0.00019891|-0.00409463|-0.00011289|-0.00000927|-0.00030288|0.00039007|-0.00020040|0.00805549|-0.01466237|0.00004197|0.06235107|-0.36377734|0.00055103|-0.00050756|-0.00699039|0.00001647|0.00059947|-0.00113146|0.00000287|-0.00033574|-0.00028907|-0.00000044|0.00004480|-0.00000492|0.00000501|0.00003013|-0.00001186|-0.00000121|0.00003746|-0.00000728|-0.00000816|0.00002293|0.00002134|-0.00008500|0.00006737|-0.00001778|-0.00004610|0.00006618|-0.00001815|0.00004746|0.00002285|0.00002133|0.00008463|-0.00041097|0.00027271|-0.00059835|-0.00041577|0.00027271|0.00059568|-0.06726316|0.38304931|0.00000033|0.00000105|-0.00000028|-0.00000028|0.00000166|-0.00010113|-0.00000079|0.00000558|0.00025156|-0.00004759|0.00001195|0.01237600|-0.00022575|0.00190653|0.00034864|-0.00000747|-0.00000523|0.00034363|0.00022288|-0.00190896|0.00035510|0.00001042|-0.00003594|0.00324571|-0.00016233|0.00053036|-0.04504342|-0.00002060|0.00011431|0.00722429|0.00000204|-0.00000225|-0.00011426|-0.00000060|-0.00000041|-0.00002646|-0.00000971|-0.00000083|-0.00000228|0.00000005|0.00000006|0.00000076|0.00000817|-0.00000183|-0.00000415|-0.00012650|0.00007575|-0.00016285|0.00036745|0.00018683|0.00037800|-0.00036896|-0.00018574|0.00037664|0.00012838|-0.00007591|-0.00016246|0.00074212|0.00061774|0.00003272|-0.00073775|-0.00061326|0.00003268|0.00020183|-0.00060673|0.02965771|-0.00005734|0.00000609|0.00002300|0.00008436|-0.00010538|-0.00001057|0.00152906|0.00042697|0.00000032|0.00733762|0.00740035|-0.00000146|-0.00014190|0.00082691|-0.00006760|0.00014223|0.00079793|0.00000025|-0.00014302|0.00082394|0.00006922|-0.00280452|0.00430229|-0.00005320|-0.01994346|-0.02415792|-0.00003615|-0.26441055|-0.15145603|-0.00035252|0.00016192|-0.00012466|0.00000114|-0.00005753|-0.00008047|0.00000002|0.00001314|0.00001445|-0.00000766|0.00003271|-0.00001702|-0.00000376|0.00000553|0.00000912|-0.00000061|-0.00007354|-0.00010400|0.00008117|0.00031573|0.00007150|0.00021719|0.00031608|0.00006968|-0.00021542|-0.00007277|-0.00010498|-0.00008059|-0.00090427|-0.00062003|-0.00000235|-0.00089211|-0.00061031|0.00000190|0.00109439|0.00053556|0.00002479|0.27846647|0.00009889|-0.00001893|-0.00005730|0.00137044|0.00022434|0.00003013|-0.00201821|0.00173550|-0.00000486|-0.02551162|-0.01256934|-0.00003966|0.00165067|-0.00351351|0.00102354|0.00108835|0.00031398|0.00000175|0.00165619|-0.00351438|-0.00100951|0.00220076|-0.00094767|0.00002796|0.01307290|0.01393291|0.00002374|-0.15335418|-0.18620233|-0.00019326|-0.00003392|0.00027122|-0.00000067|-0.00012922|-0.00004227|-0.00000038|0.00000840|-0.00003800|0.00002168|-0.00007877|0.00003776|0.00000709|0.00001536|-0.00003368|0.00000161|-0.00000472|0.00018756|-0.00026273|-0.00108167|-0.00049583|-0.00062554|-0.00108444|-0.00049347|0.00062140|-0.00000626|0.00018855|0.00026187|0.00029951|0.00037880|0.00010126|0.00029362|0.00037343|-0.00010203|-0.00055645|0.00114590|-0.00001491|0.16207599|0.18908252|0.00000726|0.00002834|0.00006131|-0.00000044|-0.00001033|-0.00020864|0.00000313|-0.00000104|0.00048457|0.00004125|0.00004201|0.00511134|-0.00025115|-0.00036773|-0.00103321|-0.00000036|0.00000129|-0.00023447|0.00025089|0.00037799|-0.00102914|-0.00004725|0.00003497|0.01597415|-0.00008972|-0.00006884|0.00832077|-0.00034673|-0.00018954|-0.04501899|0.00000124|-0.00000122|-0.00034090|0.00000006|-0.00000011|0.00001045|-0.00002107|0.00000582|-0.00000419|-0.00000865|0.00000077|-0.00001823|0.00002122|-0.00002429|-0.00001655|0.00007490|-0.00016869|-0.00013241|-0.00006971|-0.00022303|-0.00003598|0.00007435|0.00022444|-0.00003908|-0.00007443|0.00016724|-0.00013447|0.00236118|0.00191141|-0.00048064|-0.00236376|-0.00191674|-0.00048646|0.00002493|-0.00001149|-0.00902755|0.00041295|0.00018868|0.02826403|-0.00003308|0.00000031|-0.00000053|0.00003173|-0.00000009|0.00000066|0.00005433|0.00006983|0.00000035|0.00024688|0.00006143|0.00000028|0.00023949|0.00033729|0.00021122|0.00306197|-0.00306462|0.00000031|0.00023916|0.00033397|-0.00021028|-0.00070131|-0.00068243|-0.00000119|0.00014769|-0.00013982|0.00000081|0.00002375|-0.00006467|0.00000012|0.00400401|-0.00088162|-0.00000057|-0.26587171|-0.21435983|-0.00005871|0.00001305|-0.00000005|0.00000507|0.00000580|-0.00000428|-0.00000021|0.00001220|-0.00000316|-0.00000499|0.00004678|0.00002486|-0.00003872|-0.00008825|0.00003208|0.00003187|-0.00008789|0.00003206|-0.00003228|0.00004636|0.00002503|0.00003885|-0.00000098|0.00000993|-0.00002413|-0.00000118|0.00001012|0.00002429|-0.00004966|-0.00001296|-0.00000014|0.00000177|0.00002835|-0.00000007|0.25865908|-0.00002311|0.00001675|-0.00000179|0.00001728|-0.00001167|0.00000054|-0.00004826|-0.00004697|-0.00000025|-0.00031750|0.00004792|-0.00000067|-0.00039863|-0.00028476|-0.00007733|-0.00269934|0.00358399|0.00000057|-0.00039753|-0.00028162|0.00007552|0.00098635|0.00063217|0.00000192|-0.00022767|0.00013659|-0.00000097|0.00004404|0.00006942|0.00000006|-0.00082115|0.00438503|0.00000266|-0.21456281|-0.22623895|-0.00005530|0.00000897|-0.00000199|0.00000061|0.00001069|-0.00000782|0.00000210|0.00001002|-0.00000126|-0.00000137|-0.00001047|-0.00000507|-0.00000039|0.00004394|-0.00002941|-0.00000900|0.00004367|-0.00002947|0.00000915|-0.00001021|-0.00000513|0.00000040|-0.00000558|-0.00005824|0.00003261|-0.00000535|-0.00005842|-0.00003266|0.00009437|0.00006423|0.00000017|0.00002001|-0.00000306|0.00000009|0.21824827|0.21812775|-0.00000141|-0.00000489|-0.00000244|0.00000062|0.00000195|0.00002021|0.00000077|0.00000010|-0.00018520|0.00000073|0.00000016|0.00020814|-0.00041385|-0.00084033|-0.00029616|-0.00000497|-0.00000410|0.00674657|0.00041691|0.00084287|-0.00029762|-0.00000339|-0.00000264|0.00007309|0.00000093|-0.00000065|-0.00010766|-0.00000007|-0.00000042|0.00000077|-0.00001037|-0.00000642|0.00573425|-0.00004452|-0.00004226|-0.03116723|-0.00000425|-0.00000176|-0.00000002|0.00000079|0.00000149|0.00000564|0.00000429|0.00000315|-0.00000133|-0.00009072|0.00000087|0.00001615|0.00009693|0.00000230|-0.00004264|-0.00009726|-0.00000221|-0.00004322|0.00009108|-0.00000078|0.00001688|-0.00001659|0.00001156|-0.00003502|0.00001676|-0.00001137|-0.00003457|-0.00000032|-0.00000006|0.00002137|-0.00000006|0.00000013|0.00001431|0.00005798|0.00005333|0.01935576| 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| -8.3132 77.7059 95.4884 164.8168 166.4611 268.1703 317.4246 353.6956 375.9816 393.4036 447.9219 476.3321 521.1451 554.7607 595.1899 611.1928 636.9311 692.4378 746.3218 793.1014 800.1966 805.1907 957.6165 974.2290 979.4207 1017.7415 1036.3924 1049.9979 1092.7520 1093.5148 1101.7603 1164.4835 1164.9344 1195.1068 1204.3860 1204.5191 1285.8442 1330.8104 1351.5156 1366.9965 1369.2449 1383.5625 1422.4478 1515.3716 1530.3939 1564.4507 1626.1067 1626.1415 1629.5646 1629.8366 1661.9730 1867.7990 2408.1259 2558.3597 3200.7116 3211.4482 3230.7094 3246.3533 3253.8827 3277.7457 3278.2475 3306.1919 3310.1384 3354.2079 3386.2802 3662.6587 1.0162 3.8572 3.3997 3.1873 3.7392 2.7131 3.7596 2.8980 2.5578 5.1232 2.8288 4.8581 2.1963 4.0593 3.7759 5.6287 3.4882 3.6988 3.7347 1.3894 1.3407 1.3421 3.9656 1.9666 3.2519 2.5869 1.9302 2.0635 2.1835 2.1455 1.3192 1.3962 1.3968 1.5439 1.8725 2.5312 1.2568 3.2254 1.3383 1.8347 1.3025 2.7640 2.0087 1.7235 1.7346 1.2451 1.0415 1.0415 1.0965 1.0990 1.1352 6.5455 5.7488 11.9181 1.0605 1.0346 1.1045 1.0572 1.0598 1.1032 1.1032 1.1121 1.1114 1.0881 1.1003 1.1692 0.0000 0.0137 0.0183 0.0510 0.0610 0.1150 0.2232 0.2136 0.2130 0.4672 0.3344 0.6494 0.3514 0.7361 0.7881 1.2388 0.8337 1.0449 1.2256 0.5149 0.5058 0.5126 2.1426 1.0998 1.8379 1.5787 1.2215 1.3404 1.5362 1.5116 0.9435 1.1155 1.1168 1.2992 1.6003 2.1637 1.2243 3.3656 1.4403 2.0200 1.4387 3.1173 2.3946 2.3318 2.3937 1.7955 1.6226 1.6227 1.7156 1.7200 1.8475 13.4541 19.6419 45.9599 6.4008 6.2869 6.7921 6.5646 6.6109 6.9829 6.9853 7.1620 7.1750 7.2130 7.4336 9.2409 0.0000 0.6109 1.2696 0.0369 0.9050 2.4420 6.7709 3.8827 1.5346 0.6344 0.3181 0.4889 4.1388 2.0641 7.8975 0.4136 5.4108 4.7035 1.4067 31.0933 46.6284 50.7826 2.6891 1.2789 0.1012 11.4395 0.0274 0.1475 2.7785 4.3093 0.0130 0.3437 0.3163 2.3655 0.7060 4.2630 3.2618 1.4487 0.0115 7.5535 1.3307 18.7978 15.4460 6.5587 5.6807 13.7748 5.0316 5.1081 1.2999 0.7178 0.2451 5.8537 1.8007 0.3337 46.4263 39.5216 24.0771 57.0652 5.7772 19.8835 18.9354 16.4132 41.3526 14.0392 24.9490 66.0330 0.0176 4.0135 0.1546 3.6315 6.5559 1.4350 3.0025 5.6082 10.9159 3.1506 4.9688 6.1563 12.9963 5.2142 4.5384 9.0016 1.6434 0.3504 6.7479 4.3607 3.0932 4.0874 20.8555 7.0310 6.7878 5.4499 3.3009 2.8732 4.2194 8.6513 2.2032 0.2144 0.0891 4.7383 5.5997 3.0590 13.4653 15.2850 1.4530 6.6717 7.2464 21.1344 11.2918 2.6540 5.8049 32.0413 22.5991 23.2592 6.3074 26.1503 12.5425 16.9859 205.3246 319.8984 124.6088 239.2962 93.1685 0.1399 170.9438 116.3947 108.0042 52.5195 67.0240 113.0135 139.6924 32.6752 0.7008 0.7369 0.7500 0.7500 0.7415 0.7500 0.7157 0.7500 0.7500 0.1912 0.6789 0.2040 0.7500 0.7500 0.4899 0.7418 0.7500 0.5845 0.1947 0.7500 0.7166 0.7500 0.0411 0.7500 0.0557 0.3733 0.7500 0.3330 0.6849 0.7500 0.7500 0.7447 0.7313 0.7500 0.7500 0.7377 0.7210 0.5479 0.7500 0.2206 0.7500 0.2687 0.1690 0.4906 0.2399 0.4927 0.7496 0.7496 0.7500 0.6495 0.6667 0.1834 0.2922 0.3116 0.1709 0.0321 0.7500 0.7498 0.1390 0.7500 0.7488 0.7500 0.7496 0.4859 0.1926 0.2425 0.8241 0.8485 0.8571 0.8571 0.8516 0.8571 0.8343 0.8571 0.8571 0.3210 0.8088 0.3388 0.8571 0.8571 0.6576 0.8517 0.8571 0.7378 0.3259 0.8571 0.8349 0.8571 0.0789 0.8571 0.1056 0.5437 0.8571 0.4997 0.8130 0.8571 0.8571 0.8537 0.8448 0.8571 0.8571 0.8491 0.8379 0.7079 0.8571 0.3615 0.8571 0.4236 0.2891 0.6583 0.3870 0.6602 0.8569 0.8569 0.8571 0.7875 0.8000 0.3100 0.4523 0.4752 0.2920 0.0622 0.8571 0.8570 0.2441 0.8571 0.8563 0.8571 0.8569 0.6540 0.3230 0.3903 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 973.45275 3149.84266 3828.08984 0.99988 0.01566 -0.00000 -0.01566 0.99988 0.00001 0.00000 -0.00001 1.00000 1 0.08898 0.02750 0.02263 1.85396 0.57296 0.47145 111.80 137.39 237.13 239.50 385.84 456.70 508.89 540.95 566.02 644.46 685.34 749.81 798.18 856.35 879.37 916.40 996.26 1073.79 1141.10 1151.30 1158.49 1377.80 1401.70 1409.17 1464.30 1491.14 1510.71 1572.23 1573.32 1585.19 1675.43 1676.08 1719.49 1732.84 1733.03 1850.04 1914.74 1944.53 1966.80 1970.04 1990.64 2046.59 2180.28 2201.90 2250.90 2339.60 2339.65 2344.58 2344.97 2391.21 2687.35 3464.76 3680.91 4605.11 4620.56 4648.27 4670.78 4681.61 4715.95 4716.67 4756.87 4762.55 4825.96 4872.10 5269.75 0.214097 0.223834 0.224779 0.178788 -461.024580 -461.014843 -461.013899 -461.059889 1.542512D-04 MUNgauss RevisionA2.1 retrievium 05-Apr-2022 GDB_13 Smiles: CC#CC12CC(C1)(CC=C2)C#C RHF 6-31G(d) (6D,10F) C1 156.093900 |X|Y|Z| 22.951185 41.697478 12.365674 22.788246 7 6 7 |36.858105| |12.966358|36.858105| |7.167502|16.026631|36.858105| |4.621907|7.181911|13.013612|36.858105| |3.765443|5.195841|7.325448|12.259085|36.858105| |3.134611|4.109145|5.464972|8.956262|12.278182|36.858105| |3.765469|5.195898|7.325479|12.258926|8.970241|12.278324|36.858105| |2.759739|3.505342|4.485165|6.834993|7.523018|12.349948|7.522974|36.858105| |3.055112|3.952042|5.137799|7.806488|6.736503|7.614391|6.736102|12.611651|36.858105| |3.856336|5.361824|7.612299|12.506696|7.666875|7.026698|7.666600|7.778184|14.443475|36.858105| |2.669243|3.305555|4.060009|5.477050|7.359480|13.004794|7.359526|7.646170|5.001001|4.565262|36.858105| |2.355028|2.812972|3.308027|4.119191|5.217323|7.181662|5.217725|5.396107|3.860314|3.554566|16.038795|36.858105| |17.569144|9.017743|5.939656|4.123307|3.301915|2.868996|3.474940|2.596384|2.914003|3.641064|2.452174|2.175434|0.500000| |17.569678|9.018501|5.943795|4.127184|3.524358|2.987460|3.576750|2.579224|2.760151|3.369614|2.621949|2.349050|0.301286|0.500000| |17.568976|9.018152|5.940696|4.124205|3.535723|2.892528|3.310653|2.592819|2.879931|3.579262|2.484815|2.208392|0.301287|0.301285|0.500000| |3.455770|4.554667|5.959703|8.404485|17.594830|8.383659|6.128213|6.949648|6.605131|7.075600|5.948431|4.548922|0.084674|0.088774|0.093686|0.500000| |3.898693|5.242782|6.859276|8.671901|17.602272|8.706435|7.492560|5.487684|4.894497|5.539761|6.943457|5.304225|0.092510|0.105173|0.101506|0.297967|0.500000| |3.898613|5.242655|6.859016|8.671616|7.492717|8.706922|17.602152|5.487773|4.894318|5.539560|6.943928|5.304987|0.098386|0.107304|0.093591|0.146098|0.212315|0.500000| |3.455849|4.554800|5.959813|8.404402|6.128175|8.383556|17.594958|6.949361|6.604251|7.075101|5.948396|4.549384|0.092158|0.090843|0.084105|0.132349|0.146096|0.297968|0.500000| |2.506004|3.100007|3.831255|5.377612|6.600584|8.800638|5.492140|17.521149|8.868716|6.013298|6.980923|5.316551|0.065221|0.065389|0.066691|0.193325|0.140143|0.122695|0.139150|0.500000| |2.505982|3.099975|3.831196|5.377484|5.492035|8.800258|6.600281|17.520787|8.868120|6.013160|6.980669|5.316748|0.066576|0.065739|0.064984|0.139153|0.122690|0.140141|0.193309|0.303614|0.500000| |2.724133|3.378773|4.145162|5.527216|4.952185|5.441568|4.952050|8.524709|17.697854|9.091243|4.052319|3.304479|0.073477|0.068352|0.072317|0.141668|0.107468|0.107466|0.141657|0.204111|0.204108|0.500000| |4.077592|5.513566|7.142222|8.461371|5.653517|5.045634|5.653454|5.515461|9.052870|17.723429|3.635660|2.963956|0.109983|0.095656|0.106476|0.153216|0.124811|0.124807|0.153213|0.128935|0.128934|0.214584|0.500000| |2.120718|2.470072|2.825834|3.366377|4.098609|5.135507|4.099134|4.217017|3.197846|2.969364|8.486942|18.024746|0.054704|0.059286|0.055569|0.103009|0.118191|0.118215|0.103029|0.118275|0.118286|0.078430|0.070707|0.500000| 460.971220 -2322.181546 842.430165 -66.597216 -1085.377377 624.138701 -461.238676 2.000580 3D20400000000006 419993A81FFFFFFC 41337CB0DB6DB6D8 40B1B80000000001 3BE79CA100000000 410AF7BFFFFFFFFE