Version2.5 2022-04-05T20:54:40Z 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: CCCC12C=CC(C=C1)C2C#C RHF 6-31G(d) (6D,7F) CCCC12C=CC(C=C1)C2C#C C1[X(C12H14)] 72 C1 208 CCCC12C=CC(C=C1)C2C#C CCCC12C=CC(C2C#C)C=C1 CCCC12C=CC(C=C1)C2C#C InChIKey=XPTONFZZYMWBSB-UHFFFAOYSA-N InChI=1S/C12H14/c1-3-7-12-8-5-10(6-9-12)11(12)4-2/h2,5-6,8-11H,3,7H2,1H3 InChI=1/C12H14/c1-3-7-12-8-5-10(6-9-12)11(12)4-2/h2,5-6,8-11H,3,7H2,1H3 CCCC12C=CC(C=C1)C2C#C C01[X(C12H14)] 72 C1 208 CCCC12C=CC(C=C1)C2C#C CCC[C@]12CC[C@@H]([C@H]2CC)CC1 CCCC12CCC(CC1)[C@H]2CC InChIKey=AEPSJXZAPMMQFA-UTUOFQBUSA-N InChI=1S/C12H22/c1-3-7-12-8-5-10(6-9-12)11(12)4-2/h10-11H,3-9H2,1-2H3/t10-,11-,12+/m1/s1 InChI=1/C12H22/c1-3-7-12-8-5-10(6-9-12)11(12)4-2/h10-11H,3-9H2,1-2H3/t10-,11-,12+/m1/s1 4.621865799093D+02 -2.414550853785D+03 668.9414946470 -462.4275706 1-A 2126.0940 43 165 208 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -11.25108 -11.24549 -11.23908 -11.22104 -11.21890 -11.21879 -11.21873 -11.21781 -11.21647 -11.21554 -11.21047 -11.20971 -1.19839 -1.06816 -1.03368 -1.01914 -0.98416 -0.94817 -0.89727 -0.81346 -0.78482 -0.76568 -0.70907 -0.69671 -0.67143 -0.66174 -0.63405 -0.59136 -0.57834 -0.56311 -0.54442 -0.53637 -0.52068 -0.50509 -0.50265 -0.48262 -0.46966 -0.45168 -0.44232 -0.37697 -0.36790 -0.36376 -0.32095 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.14320 0.21663 0.22824 0.23427 0.23887 0.26181 0.26916 0.28013 0.28740 0.29344 0.30505 0.31273 0.31917 0.32829 0.33371 0.34367 0.35137 0.36717 0.39168 0.39942 0.42159 0.42428 0.44549 0.46517 0.47457 0.49163 0.51903 0.53946 0.56669 0.61900 0.63032 0.68162 0.69757 0.70406 0.72938 0.74956 0.75384 0.76659 0.79107 0.79983 0.81980 0.84168 0.86734 0.87706 0.88681 0.89878 0.90704 0.92546 0.92768 0.94423 0.94764 0.96693 0.97469 0.98972 0.99919 1.06109 1.07242 1.08062 1.09927 1.10603 1.11764 1.12161 1.13176 1.13804 1.15638 1.16443 1.17234 1.18078 1.18940 1.20990 1.21687 1.22093 1.22990 1.25000 1.25591 1.27022 1.31536 1.34262 1.36306 1.38649 1.40736 1.48249 1.51683 1.56640 1.58215 1.60694 1.63130 1.65902 1.67716 1.72012 1.77402 1.78709 1.81435 1.82388 1.82961 1.83696 1.84642 1.85924 1.95915 1.99427 2.00875 2.05565 2.07608 2.10945 2.11641 2.14031 2.15418 2.17280 2.20212 2.22350 2.23705 2.26537 2.26857 2.29541 2.30249 2.32175 2.36224 2.39425 2.44490 2.45124 2.47404 2.49394 2.51089 2.52353 2.56372 2.60807 2.61586 2.61859 2.66155 2.69133 2.70359 2.72140 2.74147 2.78049 2.79495 2.81349 2.83371 2.87055 2.91611 2.94527 3.00423 3.03859 3.05366 3.08581 3.11422 3.12946 3.21436 3.25679 3.28723 3.30296 3.33572 3.39832 3.83973 4.58559 4.64376 4.65514 4.67970 4.72782 4.77215 4.86938 4.92497 4.93057 5.08742 5.20650 5.30025
12.63006
0.2208 -0.5806 0.0626 0.6243 |XX|YY|ZZ|XY|XZ|YZ| -70.3343 -69.8599 -72.5816 0.5720 -0.2738 1.9543
|XX|YY|ZZ|XY|XZ|YZ| 0.5910 1.0654 -1.6563 0.5720 -0.2738 1.9543
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| -6.6161 21.5434 5.7189 -9.4885 -8.2453 3.1304 2.1674 -2.5852 -0.1921 -1.1485
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY| -1786.5181 -693.7155 -325.4795 12.7708 -3.7750 -52.9484 35.1968 -8.2092 -3.4314 -413.0203 -346.2919 -212.5378 6.2085 -3.2632 7.3525
0 |0.58150232|0.04375022|0.62133919|-0.02012731|0.00879063|0.64122759|-0.18439712|0.05708795|-0.02530570|0.53185968|0.05557463|-0.13240260|0.01574165|0.00817462|0.63535039|-0.02420021|0.01548507|-0.10334840|0.01965796|0.02606057|0.65189975|-0.03140035|-0.01309172|0.01515630|-0.16958111|-0.03903637|0.04060357|0.54604352|0.01662215|0.01153628|-0.01069699|-0.04264260|-0.12143585|0.02441647|0.00513025|0.63594552|-0.00619558|-0.00547957|0.00573521|0.04323509|0.02378308|-0.12233541|0.01989373|0.03097228|0.64839036|-0.00242679|-0.00287965|0.00241558|-0.02771544|0.01373986|-0.00469502|-0.19309841|0.05648478|-0.02408340|0.63812455|-0.00375250|-0.00329308|0.00261535|-0.01241063|0.01342085|-0.00797785|0.05380912|-0.13395628|0.01585827|-0.09888030|0.50068087|0.00301431|0.00243837|-0.00289364|0.01364464|-0.01263012|0.00583526|-0.02137323|0.01476956|-0.10555737|0.03816786|0.00097214|0.47090074|-0.00000494|0.00011101|0.00003636|0.00161174|0.00084610|0.00007619|0.00269031|0.03138283|0.01217650|-0.10316030|0.00836084|-0.00504707|1.02405449|-0.00038300|-0.00044925|0.00020965|0.00024166|0.00206013|-0.00011395|0.00315632|-0.01198472|-0.00288107|0.00312135|-0.15951860|-0.02242415|0.04126652|0.53635392|-0.00019133|-0.00033040|0.00004637|0.00107638|0.00056757|-0.00012267|0.00335657|0.00845158|0.00336684|-0.00354161|-0.03449445|-0.08910774|0.07793012|0.13340261|0.23636462|-0.00002986|-0.00003967|0.00003523|0.00005264|-0.00000015|-0.00009129|0.00029653|-0.00007808|0.00080610|-0.00548144|0.03107251|0.01541388|-0.60864046|0.11998147|0.00460033|0.88768060|0.00017410|0.00019702|-0.00003783|-0.00100846|-0.00059640|0.00024929|-0.00284036|-0.00702250|-0.00343690|0.03611477|-0.01631452|-0.00378510|0.11357289|-0.15060179|-0.01647662|-0.21588875|0.67477010|-0.00003198|0.00003666|-0.00000859|-0.00032686|-0.00007028|0.00002485|-0.00156692|-0.00256310|-0.00088185|0.01238650|-0.00896453|0.00235122|-0.00302077|-0.01430579|-0.07455857|-0.01645393|0.16201086|0.23804654|-0.00041467|-0.00041333|0.00036488|-0.00145133|0.00148884|-0.00069727|-0.00509281|-0.00501910|0.00433996|-0.05904841|0.01745377|-0.00711460|-0.03707379|-0.02877359|-0.01594443|-0.12529539|-0.02870703|-0.01318177|0.79142337|-0.00022535|-0.00020568|0.00018625|-0.00038826|0.00077320|-0.00037807|-0.00139858|-0.00191668|0.00145908|0.00781322|-0.01235542|-0.00529597|-0.02301764|0.01050585|-0.00289767|-0.03690644|-0.15054870|-0.03609759|0.00482335|0.42573527|0.00023895|0.00019671|-0.00019915|0.00063243|-0.00071022|0.00062453|0.00169596|0.00201571|-0.00252292|0.00364827|-0.00756749|-0.01450928|-0.01487673|0.00269220|0.00258299|-0.00801930|-0.02615600|-0.08742558|-0.05868970|0.02041313|0.45236003|-0.00003936|-0.00007138|0.00007800|0.00028903|0.00012230|-0.00009323|0.00021890|-0.00096259|-0.00239547|-0.02228467|0.00120333|-0.03350277|-0.01121452|0.00706343|0.00049516|0.01282569|0.00678348|-0.00526833|-0.11039528|0.00158341|0.02379304|0.94022568|0.00007993|0.00001868|-0.00005436|-0.00005191|-0.00012151|0.00006914|0.00044325|0.00038792|0.00016269|0.00388333|0.00554636|0.00413584|0.00330169|-0.00339707|-0.00611829|-0.00419291|-0.00488475|-0.03740272|0.00625684|-0.07616651|-0.01502401|-0.17902940|0.22409509|-0.00012441|-0.00007462|0.00020751|0.00096467|0.00022103|-0.00077019|0.00106888|-0.00099043|-0.00834425|-0.03554985|0.01047842|-0.00208556|0.00431315|-0.00593558|-0.00509833|-0.01582663|-0.01751953|-0.02243765|0.01931282|-0.00331275|-0.17538017|0.15275209|-0.01487924|0.64148088|0.00005453|0.00008476|-0.00029049|0.00110061|-0.00022795|-0.00064905|-0.00583982|-0.00049162|-0.03090793|-0.10558641|0.01254737|-0.02249491|0.00821709|-0.01327071|-0.01262830|-0.01401179|-0.00230851|-0.00355005|-0.01856781|0.01048654|0.03262124|-0.61040488|0.13118572|0.00811816|0.93595155|0.00002790|0.00000980|-0.00014881|-0.00114901|0.00018634|0.00021838|0.00193079|0.00018896|0.01814108|0.00687130|-0.08236594|-0.00401094|-0.00256586|-0.00000164|-0.03475635|0.00221464|-0.00081164|-0.00519298|0.00880034|0.00211973|-0.01170802|0.12648997|-0.10143752|0.00046750|-0.18294109|0.22730820|0.00036627|0.00028329|-0.00049552|-0.00062538|-0.00069766|0.00231263|-0.00425035|0.00229487|0.00054553|-0.01578561|0.00523188|-0.16389703|0.00559735|-0.02147825|-0.02192546|-0.00589349|-0.00341750|-0.00495575|0.03860984|-0.00728798|-0.00681470|-0.00019214|0.00282523|-0.12643931|-0.14960805|0.05628040|0.63848856|-0.00058704|-0.00089569|0.00078037|-0.00163232|0.00363769|-0.00219614|-0.02210829|-0.01120605|0.01158974|-0.12440196|-0.02296733|0.02958946|-0.00846159|-0.02052353|-0.00264534|0.00339557|-0.00171856|0.00802920|-0.10962127|0.03980304|-0.02517995|-0.00172766|-0.00098754|-0.01189115|-0.00020191|0.00179194|0.01358118|0.41535314|0.00098682|0.00109756|-0.00071264|0.00322395|-0.00359986|0.00147459|0.01254046|0.01172501|-0.01075056|-0.01297166|-0.08398768|0.01115402|-0.02317832|-0.03843448|0.01203048|0.00246773|-0.05079044|0.00941887|0.02913312|-0.11453042|0.02791942|-0.00057238|0.00113878|0.00761040|0.00167329|-0.00025056|0.00106122|0.04107625|0.60610979|-0.00056165|-0.00040456|0.00070274|-0.00207081|0.00185024|-0.00092107|-0.00650863|-0.00674561|0.00530438|0.02480125|0.01617272|-0.08958046|-0.00857730|-0.00581380|0.00329941|0.00491686|-0.00930096|0.00342758|-0.01628922|0.02978679|-0.09041075|-0.01120435|0.02736048|-0.04144867|0.02083794|0.01866777|-0.04082766|0.01376024|0.01966537|0.68582826|0.00003597|0.00007987|-0.00000778|0.00021368|-0.00014328|0.00005289|0.00030187|-0.00032172|-0.00015925|-0.00330528|-0.02892936|-0.00937420|-0.00335678|-0.00287210|0.00309981|-0.00188428|0.00263275|-0.00310002|0.00994557|0.01718116|0.00856789|-0.00059057|0.00023423|0.00087353|-0.00063217|-0.00090602|-0.00059590|-0.09638444|-0.04669077|-0.01219785|0.20845744|0.00013990|0.00026657|-0.00013991|0.00045587|-0.00071178|0.00033856|0.00113592|0.00199847|-0.00045330|-0.00912735|-0.01544028|0.00111825|-0.00009578|-0.00313651|-0.00050812|-0.00045592|-0.00482280|0.00128649|-0.00624306|-0.02802024|-0.00343922|-0.00085976|-0.00195894|0.00036426|0.00025884|-0.00191871|0.00055886|-0.04501581|-0.27000421|-0.04815011|0.34705041|1.51375738|0.00001537|0.00002797|-0.00004839|0.00004409|-0.00013284|0.00006129|-0.00024984|0.00014780|0.00009268|-0.00359411|0.00938860|0.00376410|0.00245153|0.00085421|0.00150102|-0.00171753|0.00181070|0.00162604|0.00712899|0.00685014|0.00345880|-0.00026485|0.00363667|-0.00044985|0.00186401|0.00309891|-0.00039615|-0.00988818|-0.04069041|-0.10145834|0.06528129|0.26140175|0.17596612|0.00002269|-0.00001095|0.00005604|0.00009528|-0.00013485|-0.00015526|-0.00005819|0.00046888|0.00041404|0.00006432|0.00117714|0.00006294|0.00030716|0.00005332|0.00001720|0.00037558|-0.00053426|0.00004461|-0.00167300|-0.00022408|-0.00151932|0.00041701|0.00002036|-0.00000254|0.00009209|-0.00003499|-0.00019365|0.00983992|-0.00131246|0.00078810|-0.12021422|-0.28331081|-0.05165449|0.16631855|-0.00010027|-0.00028230|0.00014049|-0.00041675|0.00074587|-0.00017015|0.00033948|-0.00157422|0.00024316|0.00473998|-0.00058458|-0.00350648|-0.00117917|-0.00056084|0.00047794|0.00058482|-0.00068609|0.00050518|-0.00349113|0.00155661|-0.00282777|0.00049834|-0.00002511|-0.00067369|-0.00069056|0.00033877|-0.00041187|-0.00196891|0.00320054|0.00364845|-0.28329758|-1.18667622|-0.20777808|0.38435370|1.61036702|-0.00003433|-0.00005169|0.00001825|-0.00006556|0.00014560|-0.00006145|0.00002932|-0.00040876|0.00004739|0.00159607|-0.00068115|-0.00083840|-0.00024151|-0.00030133|0.00019877|0.00005971|-0.00036685|0.00013693|-0.00149704|0.00010310|-0.00064684|0.00180011|0.00089973|-0.00053297|-0.00122663|0.00163210|-0.00046645|-0.00107296|-0.00397555|0.00899147|-0.05178080|-0.20790083|-0.08365159|0.07113324|0.28570208|0.12019563|-0.06657434|-0.00022039|-0.04299248|-0.00438094|-0.00112092|-0.03339656|0.00183257|-0.00045314|-0.00161281|0.00005357|0.00022606|0.00016447|0.00002600|0.00001203|0.00004952|-0.00000791|-0.00002747|0.00003473|0.00000035|0.00002409|-0.00001420|0.00003120|-0.00004079|0.00011238|0.00002456|-0.00013071|-0.00015185|-0.00000239|-0.00001471|0.00002074|-0.00000301|0.00000646|0.00000542|0.00001156|-0.00001684|0.00001651|0.06808637|-0.00033538|-0.05997798|0.00130046|0.00285490|0.00040022|0.02150302|-0.00112478|0.00016976|-0.00013196|-0.00013807|-0.00011465|0.00005110|0.00002256|0.00005160|0.00000684|0.00000534|-0.00001686|-0.00002634|-0.00000227|-0.00000699|0.00001450|-0.00000270|0.00001499|-0.00003626|0.00000242|0.00003259|0.00006895|-0.00001480|-0.00000980|-0.00003051|0.00000259|-0.00000918|0.00000066|0.00000499|0.00000626|0.00000878|-0.00298469|0.05753597|-0.04482446|0.00212659|-0.33420585|-0.00043822|-0.00025405|-0.00681352|0.00072626|-0.00007663|0.00015155|-0.00007259|-0.00007202|0.00054727|-0.00002835|-0.00002361|0.00001137|-0.00001992|-0.00000433|0.00004739|-0.00004356|0.00000225|0.00000534|0.00002194|-0.00003115|0.00008803|0.00019768|-0.00007371|-0.00011863|-0.00006790|0.00010056|-0.00007806|-0.00000152|0.00002229|0.00001188|-0.00001184|-0.00004155|0.00002266|0.04963798|-0.00281887|0.36282045|-0.06102699|-0.02152320|-0.00675697|0.00365333|0.03198347|0.01196592|0.00212963|0.00097247|0.00046805|0.00003452|0.00004373|-0.00026000|0.00003152|0.00007922|0.00014468|0.00000953|-0.00009940|0.00000295|0.00001037|0.00002369|-0.00001200|-0.00000438|-0.00003266|0.00001423|0.00001518|-0.00004249|-0.00002990|0.00000447|-0.00003765|0.00001968|0.00000214|0.00001509|0.00000620|0.00002604|-0.00004935|-0.00001457|-0.00106259|-0.00529403|-0.00120314|0.06229504|-0.01960138|-0.31137645|-0.08461133|-0.00247624|-0.01782702|-0.00653909|-0.00134547|0.00028246|0.00011169|0.00012660|0.00047992|0.00016100|-0.00022296|-0.00007463|-0.00009198|-0.00001521|0.00011964|-0.00000579|0.00004364|-0.00000433|-0.00000010|0.00003455|0.00004805|0.00001192|0.00002473|0.00002565|-0.00002973|0.00006334|-0.00012406|0.00004041|-0.00000705|-0.00004114|-0.00000544|-0.00000494|0.00010736|0.00002359|-0.00015144|0.00267541|-0.00049462|0.02048883|0.33851136|-0.00616425|-0.08514137|-0.08881993|0.00094096|0.00974464|0.00338353|0.00028789|-0.00048581|-0.00019477|0.00017209|0.00022665|-0.00002886|-0.00006399|0.00001103|-0.00000718|-0.00000831|0.00001948|0.00000450|0.00001826|0.00000725|-0.00000175|-0.00000111|0.00000548|-0.00002250|-0.00000598|0.00000938|0.00005235|0.00002951|-0.00006422|-0.00000699|-0.00001210|-0.00001785|-0.00000081|-0.00001877|0.00003900|-0.00000840|-0.00315127|-0.03701055|-0.01029198|0.00887960|0.09381506|0.08804049|-0.23703115|-0.09412880|0.09938994|-0.02266661|-0.01582769|0.01524396|-0.00441158|0.00571220|-0.00330150|-0.00063279|-0.00164888|0.00140317|-0.00009458|-0.00018593|-0.00016608|-0.00004492|0.00009893|0.00004753|-0.00022436|-0.00010738|0.00010529|-0.00007354|0.00000726|-0.00009503|0.00000904|0.00008930|0.00023946|-0.00035188|0.00057943|-0.00033729|0.00000265|0.00010012|0.00001860|-0.00005880|-0.00013781|-0.00002010|0.00679811|0.00367801|-0.00193752|-0.00110242|-0.00152713|0.00001248|0.25690934|-0.09586460|-0.11012964|0.05334650|0.01757575|0.01005538|-0.01101267|0.00296580|-0.00268771|0.00155441|0.00088787|0.00111141|-0.00049439|-0.00010928|0.00009227|0.00000330|0.00000253|0.00000813|0.00000547|0.00011971|0.00005427|-0.00005551|0.00001598|-0.00000540|0.00001282|-0.00003870|0.00000106|-0.00006129|0.00024451|-0.00027568|0.00014649|-0.00002417|-0.00007184|-0.00001067|-0.00001564|0.00007378|0.00000879|0.00139358|-0.00004682|-0.00018156|-0.02848439|-0.01378033|0.01754466|0.10321670|0.11382337|0.10063930|0.05303745|-0.11589649|-0.00873209|-0.00503634|0.00428517|-0.00131451|0.00105380|-0.00034638|-0.00041316|-0.00004477|0.00074836|-0.00000275|-0.00000416|0.00000306|-0.00000417|0.00000085|-0.00000514|-0.00004514|-0.00001588|0.00002627|0.00001697|-0.00000047|0.00003102|0.00011939|-0.00006447|-0.00000213|-0.00011033|0.00007963|-0.00006446|0.00000724|0.00001644|0.00000650|0.00001062|-0.00001179|0.00000178|0.03060498|0.01670686|-0.01514892|-0.01151648|-0.00458930|0.00654002|-0.11018978|-0.06022348|0.11878199|0.00355637|0.03328606|0.01127449|-0.06260146|-0.02903217|-0.00939239|-0.00347588|-0.03093782|-0.01113427|0.00164430|-0.00072074|-0.00088546|-0.00069694|0.00010048|-0.00005093|-0.00004627|0.00023460|-0.00002020|0.00003403|-0.00000981|-0.00005208|0.00000679|0.00009766|-0.00002736|-0.00011024|0.00018155|-0.00002675|0.00017131|-0.00006253|0.00014408|-0.00001233|-0.00007043|-0.00004746|-0.00010717|0.00021189|0.00005057|0.00147736|-0.00114562|-0.00009017|-0.00588253|0.00396893|-0.00201357|0.00134484|-0.00092957|0.00065699|0.07008349|-0.00222341|-0.01783439|-0.00648100|-0.02914158|-0.30715489|-0.07887643|-0.00198084|-0.01403857|-0.00540068|0.00078929|-0.00040596|0.00012923|-0.00002927|-0.00080813|-0.00088409|-0.00001475|0.00054625|0.00008251|0.00000959|-0.00011155|0.00010026|0.00003182|0.00010165|-0.00006668|-0.00015234|0.00016297|0.00003917|-0.00012463|0.00010693|-0.00003087|0.00002331|0.00004385|-0.00000747|-0.00007073|0.00013266|0.00003088|-0.00045342|0.00050920|0.00075794|0.00396260|-0.00062788|0.00135164|0.00040439|0.00095142|-0.00037352|0.03006986|0.33524208|0.00094828|0.00957797|0.00326196|-0.00950149|-0.08046962|-0.08868509|0.00173944|0.01780550|0.00622331|-0.00073237|-0.00067217|0.00044621|0.00012216|-0.00027517|-0.00019606|0.00001886|0.00007373|-0.00003916|-0.00009884|-0.00009034|0.00003381|-0.00004769|0.00006884|0.00014656|0.00001716|-0.00000674|-0.00039470|-0.00017080|0.00017976|-0.00006550|0.00001338|0.00004248|0.00000489|0.00004203|-0.00005338|0.00000177|0.00087992|0.00011273|0.00061399|-0.00163115|0.00159216|0.00069522|0.00051205|-0.00058313|0.00000050|0.00868504|0.08811227|0.08833684|-0.00458944|-0.00000291|-0.03437093|-0.06328617|-0.00011664|-0.03364834|0.00451564|0.00044441|0.03313202|0.00178686|0.00049582|0.00035861|-0.00012009|0.00001430|-0.00013912|0.00001958|0.00005809|-0.00004560|0.00004230|0.00006384|-0.00008115|-0.00008495|0.00007648|-0.00007781|-0.00074102|0.00009396|-0.00016323|0.00013815|-0.00016550|-0.00001875|0.00002089|-0.00005224|-0.00001580|-0.00003272|0.00004682|-0.00002383|-0.00572592|0.00431041|-0.00125212|0.00151461|-0.00029724|0.00092083|0.00105615|-0.00113165|0.00038527|-0.00068409|0.00001117|-0.00390779|0.07163328|0.00286697|0.00012991|0.02144891|-0.00041637|-0.06254944|0.00224215|0.00238300|0.00022783|0.01697683|0.00055435|0.00029187|-0.00062486|-0.00013918|-0.00033759|-0.00014648|0.00009642|0.00012091|0.00007774|0.00006474|-0.00001746|-0.00007545|-0.00004297|-0.00003225|-0.00008484|0.00003055|0.00008193|0.00005584|0.00006224|-0.00001807|0.00004312|0.00000241|0.00001187|0.00000001|0.00000188|-0.00002455|-0.00003273|0.00400421|-0.00154404|0.00126407|-0.00112789|0.00056045|0.00013679|-0.00065621|0.00065149|-0.00073945|-0.00465588|0.00204885|-0.03713129|-0.00095372|0.06009096|-0.00065311|-0.00039584|-0.00651103|-0.03320934|0.00381080|-0.33322023|-0.00177082|-0.00064269|-0.01605277|-0.00090382|0.00044335|-0.00048766|0.00016546|-0.00016754|0.00011183|-0.00001144|-0.00006207|0.00011672|0.00002000|0.00016796|-0.00009693|0.00010789|-0.00011333|0.00059028|-0.00021631|-0.00058327|-0.00109530|0.00017305|-0.00010476|0.00019707|-0.00001214|-0.00000362|-0.00000093|0.00005801|-0.00000793|0.00006353|-0.00138222|0.00094583|0.00146252|0.00006841|0.00073663|0.00051084|-0.00075200|-0.00021140|0.00060173|-0.00152775|-0.00136867|-0.01095068|0.03769692|-0.00521249|0.36257890|0.00157351|-0.00109063|-0.00087275|-0.00396552|-0.03051311|-0.01059484|-0.06200761|-0.02587827|-0.00980974|0.00359547|0.03377704|0.01182210|-0.00606307|0.00060878|-0.00277237|-0.00007144|0.00235747|0.00095835|0.00048419|0.00022067|-0.00029807|-0.00011934|-0.00024587|0.00025113|0.00145448|-0.00073684|0.00026765|0.00111820|0.00028927|0.00071861|-0.00083757|0.00016810|0.00021342|0.00012156|-0.00053476|-0.00019672|-0.00009568|0.00006520|-0.00003037|-0.00054582|0.00077668|0.00025368|0.00039399|0.00029380|0.00017123|-0.00527078|-0.00253119|0.00341624|0.00135712|0.00098965|-0.00004419|0.07027770|0.00099725|0.00052489|-0.00023759|-0.00191949|-0.01506780|-0.00516722|-0.02404564|-0.30953981|-0.08023543|-0.00164356|-0.01818094|-0.00693349|0.00340389|0.00076997|0.00192352|-0.00019724|-0.00137800|-0.00052870|-0.00007319|0.00010502|0.00021267|0.00042929|0.00016981|-0.00002186|-0.00068072|0.00086494|-0.00022018|-0.00043430|-0.00027843|-0.00014317|-0.00026805|0.00002171|-0.00015353|-0.00050680|0.00057835|0.00023006|-0.00004452|0.00004198|0.00003749|-0.00062902|0.00097209|-0.00005013|0.00006217|0.00045863|0.00022329|-0.00248723|0.00004850|0.00200817|0.00040075|0.00040897|0.00055000|0.02709034|0.33681944|-0.00091652|-0.00022729|0.00024620|0.00250423|0.01842852|0.00630829|-0.00885844|-0.08167854|-0.08859833|0.00081054|0.00914602|0.00279541|-0.00103004|0.00006512|0.00063481|-0.00030712|0.00040371|0.00024114|0.00020438|0.00021472|0.00029190|0.00034610|-0.00003393|0.00012941|0.00039715|0.00034016|0.00033948|0.00027266|-0.00086862|-0.00004615|-0.00010975|-0.00020496|0.00005412|-0.00019403|0.00033319|-0.00010772|0.00007300|-0.00015117|-0.00002157|-0.00005945|-0.00021451|0.00020507|-0.00025270|0.00016687|-0.00011994|0.00361609|0.00202890|-0.00069000|-0.00113896|-0.00002824|0.00085462|0.00793103|0.08872606|0.08862401|0.00188711|0.00013727|0.00089911|0.00376251|0.00034142|0.03286749|-0.06439310|0.00119818|-0.03717500|-0.00534525|-0.00015885|-0.03522846|0.00151696|-0.00080323|0.00048274|-0.00027823|-0.00028844|0.00019037|0.00051467|0.00044959|-0.00012080|-0.00067754|-0.00002268|-0.00245394|-0.00495399|0.00403290|0.00204588|0.00120836|-0.00079636|-0.00093980|-0.00008640|-0.00002825|0.00005356|0.00001378|-0.00005821|0.00010012|-0.00053149|0.00008264|-0.00055380|-0.00009870|0.00007949|-0.00004738|0.00032849|-0.00015778|-0.00028511|0.00134675|0.00034840|-0.00109302|-0.00552992|-0.00296155|0.00308238|-0.00068104|-0.00000165|-0.00331680|0.07292776|0.00083930|0.00019291|-0.00068871|0.00189801|0.00009161|0.01809166|0.00070114|-0.06214128|0.00218011|0.00310523|-0.00023167|0.02122423|-0.00074187|0.00058581|0.00023441|-0.00010965|0.00022107|-0.00002230|-0.00025254|0.00006301|0.00025694|0.00053336|0.00004435|0.00128310|0.00289790|-0.00096138|-0.00100713|-0.00063977|0.00052104|-0.00042493|0.00006079|-0.00017569|-0.00007198|-0.00010230|0.00005749|0.00014526|-0.00006543|0.00036619|-0.00028025|-0.00010125|0.00002344|-0.00012579|0.00015209|-0.00019674|-0.00004580|0.00109140|0.00040718|-0.00005449|-0.00310245|-0.00063049|0.00187513|-0.00499972|0.00274964|-0.03667953|-0.00147054|0.05942458|-0.00110693|-0.00014011|0.00021533|-0.00221088|-0.00021202|-0.01723008|-0.03788239|0.00412248|-0.32743523|-0.00035834|-0.00086325|-0.00718224|0.00035532|-0.00033584|0.00065865|-0.00045030|0.00016446|0.00025931|0.00000704|0.00014720|0.00052553|0.00031966|-0.00002960|-0.00079985|-0.00128289|0.00110209|0.00162251|0.00008831|-0.00014748|0.00010657|-0.00017995|-0.00002130|0.00004730|-0.00003409|-0.00005219|0.00012905|0.00091044|-0.00040493|0.00086281|0.00004143|0.00000236|0.00001020|0.00010915|0.00001565|0.00060217|-0.00001796|0.00062158|0.00088515|0.00318285|0.00196306|0.00010229|-0.00143951|-0.00081959|-0.01084133|0.04072029|-0.00564542|0.35673703|0.00003644|0.00003235|-0.00003115|-0.00042716|-0.00008009|0.00017014|0.00011275|-0.00097944|-0.00036966|0.00847641|0.00429050|0.00233387|-0.25510490|-0.13977757|-0.06512519|-0.01365476|-0.02342349|-0.01018080|-0.00570559|0.00266273|0.00012825|0.00001265|-0.00012762|0.00083179|-0.00019971|0.00030371|-0.00033173|-0.00010356|0.00218860|0.00027818|0.00047236|-0.00003673|-0.00029242|-0.00001862|0.00006867|0.00005995|-0.00000279|0.00001264|-0.00000392|-0.00000521|0.00000346|-0.00001347|0.00001906|-0.00000191|0.00000727|-0.00084592|0.00111273|0.00070997|0.00001296|-0.00003050|-0.00000680|0.00014099|-0.00015068|-0.00002344|0.00003184|-0.00010824|-0.00007692|0.26608527|0.00030133|0.00039950|0.00009053|-0.00004417|-0.00098757|-0.00022829|-0.00078026|0.00137834|-0.00002003|-0.02070812|-0.00501087|-0.00494692|-0.14563451|-0.17336479|-0.05918716|0.01035392|0.01317458|0.00234744|0.00325835|-0.00102914|-0.00451724|-0.00115557|0.00010536|-0.00027617|0.00085594|-0.00210194|0.00164443|0.00000438|-0.00345499|-0.00184184|-0.00138798|-0.00022465|0.00071432|-0.00000541|-0.00057447|-0.00008857|0.00000526|-0.00003571|-0.00000855|-0.00016821|0.00012946|-0.00001645|0.00001646|-0.00003892|0.00001743|0.00085691|0.00068583|-0.00016848|-0.00006061|0.00017950|0.00020280|0.00008667|0.00013394|0.00027326|0.00038685|-0.00034144|0.00054080|0.15502725|0.16984244|0.00019094|0.00023623|0.00008097|-0.00019350|-0.00051701|-0.00005225|-0.00006078|0.00008318|0.00031393|-0.00844946|-0.00225820|0.00263349|-0.06642423|-0.05888714|-0.06714133|0.00141709|-0.00171627|0.00868114|-0.00106080|-0.00196000|0.01061172|0.00075763|0.00106957|-0.00054611|-0.00011107|0.00058629|-0.00095066|0.00155310|-0.00150376|-0.00081362|-0.00008391|0.00052622|-0.00010245|0.00002718|0.00002400|0.00000103|-0.00005508|0.00002196|-0.00005687|-0.00010650|0.00008251|-0.00002532|0.00002945|-0.00002217|-0.00000212|0.00064196|0.00006582|0.00017259|0.00003628|0.00002054|-0.00008270|0.00012229|-0.00002123|-0.00012715|0.00005072|0.00003016|-0.00011476|0.07200677|0.06308165|0.05391798|-0.00001989|-0.00003069|0.00006155|0.00016255|0.00007125|-0.00014369|0.00085758|0.00177940|0.00098128|-0.00701460|-0.00034409|-0.00213321|-0.00265376|0.03147431|0.01044685|-0.12455010|0.11502260|0.03268330|0.01297200|-0.01383321|-0.00461615|-0.00104746|-0.00098981|0.00108047|0.00056942|0.00000376|-0.00076609|-0.00172933|-0.00311269|-0.00130556|0.00093079|-0.00054661|0.00056444|-0.00012686|-0.00029313|-0.00008343|0.00000903|0.00000248|-0.00000733|0.00000592|-0.00000638|-0.00000959|-0.00005062|-0.00000041|0.00000256|0.00001376|-0.00002935|0.00000279|-0.00002665|-0.00000738|0.00005682|-0.00068315|0.00041498|-0.00010872|0.00005454|-0.00006503|-0.00002436|0.00086842|-0.00126270|0.00034109|0.12079041|0.00000984|0.00003049|-0.00001852|0.00000627|-0.00010182|0.00000848|0.00003372|0.00034090|-0.00015434|-0.00026898|0.00050755|-0.00421137|-0.00208671|0.00264736|-0.00241372|0.12091684|-0.30392995|-0.08412909|0.01196664|-0.00862656|-0.00357811|-0.00139615|-0.00120260|0.00136840|0.00094492|-0.00043754|0.00017161|-0.00101728|-0.00192421|-0.00143093|0.00079182|-0.00065769|0.00048274|-0.00016237|-0.00040492|-0.00003542|0.00000641|-0.00000758|0.00001468|-0.00000179|-0.00000143|0.00000155|0.00003076|-0.00000370|-0.00000312|-0.00000359|0.00002540|0.00000562|-0.00002040|-0.00000257|0.00002564|-0.00005768|0.00009431|0.00007372|0.00008413|0.00000063|0.00009392|0.00059423|-0.00058224|0.00251700|-0.12994403|0.31312814|0.00001091|0.00003072|-0.00001376|0.00001126|-0.00001114|0.00002239|-0.00025201|-0.00091713|-0.00020881|0.00005989|-0.00233324|0.01090197|-0.00195573|-0.00115717|0.00850950|0.03417452|-0.08441841|-0.06842442|0.00636170|-0.00580356|0.00262631|0.00038903|0.00053299|-0.00107699|-0.00026258|0.00132149|-0.00054392|-0.00199000|-0.00050514|-0.00082673|0.00036055|0.00046376|-0.00009101|0.00005237|0.00001055|-0.00000828|-0.00000940|0.00000117|-0.00000543|-0.00002067|0.00000976|0.00000277|0.00001889|-0.00000021|-0.00000076|0.00006889|0.00002861|0.00000801|0.00001952|-0.00000421|-0.00003682|0.00029012|-0.00008781|-0.00007552|-0.00009832|-0.00001398|-0.00009486|0.00070338|0.00243723|-0.00627210|-0.03767320|0.09105256|0.05538817|-0.00006400|-0.00012258|0.00011271|-0.00021318|0.00036314|-0.00022250|-0.00027444|-0.00083920|0.00073924|-0.00227160|0.00238502|-0.00155243|-0.00124003|-0.00215450|-0.00055787|-0.00859277|0.00280999|0.00228031|-0.34769637|-0.00999821|0.05739152|-0.00122401|0.00030645|-0.00096221|-0.00020619|-0.00008243|0.00066465|-0.01047678|-0.00362932|0.00413568|0.00020100|-0.00054802|-0.00013086|0.00044607|0.00071973|0.00015783|0.00000465|0.00000378|-0.00001992|0.00000393|0.00002219|-0.00000049|-0.00008826|0.00002329|-0.00000204|0.00001623|-0.00000709|-0.00000341|0.00000222|-0.00000290|0.00003555|-0.00003288|0.00008687|0.00000870|0.00000321|-0.00001515|-0.00005012|-0.00047749|0.00030239|-0.00009895|0.00022810|-0.00073557|-0.00036468|0.37193981|0.00016730|0.00019982|-0.00011616|0.00034142|-0.00062476|0.00027633|0.00123765|0.00167547|-0.00094144|0.00386889|-0.00502574|0.00269391|-0.00341207|-0.00597064|-0.00281032|-0.02856263|0.00618108|0.00899074|-0.01022109|-0.06355914|0.00263498|0.00320364|-0.00081992|0.00003556|0.00061417|0.00063309|-0.00041273|0.02317701|0.00502615|-0.00975295|0.00012319|0.00249478|-0.00021997|-0.00060659|-0.00062964|-0.00015702|-0.00000665|-0.00000627|0.00001318|-0.00002564|0.00000330|-0.00000303|0.00008817|-0.00004555|0.00001244|0.00007341|0.00012567|0.00002438|-0.00000523|0.00001280|-0.00002351|-0.00018401|0.00006975|-0.00003904|-0.00005377|-0.00003150|0.00004958|-0.00149926|0.00111812|-0.00072167|0.00153306|0.00071836|0.00024532|0.01101701|0.05783942|-0.00009400|-0.00006543|0.00014376|-0.00022867|0.00028864|-0.00029402|-0.00071230|-0.00058595|0.00120842|-0.00238736|0.00288740|-0.00222824|-0.00169173|-0.00242873|-0.00018637|-0.01263176|0.00285266|0.00272323|0.05699451|0.00284153|-0.07421679|0.03438417|0.00138999|0.00225698|0.00204869|-0.00080566|-0.00807116|-0.01498380|-0.00459480|0.00463175|0.00043477|-0.00101189|0.00010010|0.00008350|0.00030961|0.00003450|0.00002447|-0.00001217|0.00000464|-0.00000113|0.00001126|-0.00000511|-0.00004981|0.00002404|-0.00001460|0.00002782|0.00002038|0.00001247|-0.00005534|-0.00000376|0.00014260|-0.00000500|0.00007443|-0.00005166|0.00019272|-0.00011886|0.00005252|-0.00073247|0.00023740|-0.00016505|0.00072468|0.00040310|0.00015629|-0.06197935|0.00011717|0.07204000|-0.00002967|-0.00006872|0.00002291|0.00016722|0.00013511|-0.00007546|0.00030389|-0.00044227|-0.00221399|-0.00558544|0.00461123|0.00254394|0.00060107|0.00042895|0.00039456|-0.00096485|-0.00115873|0.00061894|0.01134787|-0.00107773|0.00915195|-0.18519960|0.03037709|-0.15131966|-0.00849990|0.00294847|-0.02976070|-0.00026810|0.00005114|0.00308134|0.00009334|-0.00002166|0.00001790|0.00000024|-0.00002968|-0.00005052|0.00001333|0.00000491|0.00000829|0.00001069|0.00000644|-0.00000317|-0.00005522|0.00000633|0.00001228|-0.00003797|-0.00005267|-0.00000514|0.00000732|-0.00001182|0.00003588|0.00006364|-0.00002571|0.00004023|-0.00072846|0.00034613|-0.00021027|0.00007894|0.00000818|-0.00024035|0.00023268|0.00013722|-0.00000080|0.00007338|-0.00015608|-0.00147997|0.18729134|0.00000041|-0.00000147|0.00001246|-0.00002752|-0.00000645|0.00005184|-0.00004103|0.00022179|-0.00068713|0.00305112|0.01078773|0.00120350|0.00050273|-0.00105380|0.00088563|-0.00079544|-0.00137549|0.00042422|-0.00333831|0.00471978|-0.00226632|0.03050590|-0.04797953|0.02730022|0.00450467|0.00840881|0.00562342|0.00142009|-0.00033283|-0.00029491|-0.00005849|0.00029735|-0.00025768|-0.00009262|-0.00008585|-0.00023724|0.00001686|-0.00000439|0.00000224|0.00000758|-0.00001320|-0.00000166|0.00000012|0.00000019|0.00000141|-0.00003001|-0.00002994|-0.00000810|-0.00006040|0.00001272|0.00002291|0.00009245|-0.00012976|-0.00007641|-0.00022628|-0.00005917|-0.00000863|-0.00002967|0.00046454|-0.00030013|-0.00008459|0.00000846|-0.00040799|0.00008760|0.00003559|0.00023291|-0.03352085|0.03322934|-0.00000500|-0.00001616|0.00003190|-0.00006426|0.00002260|-0.00006523|-0.00011577|-0.00009917|0.00043798|0.00168182|-0.00089915|-0.00120933|-0.00086238|0.00000610|0.00004897|0.00146329|0.00128168|-0.00100015|-0.01805350|0.00374261|-0.00930719|-0.15682931|0.02900515|-0.26529222|0.00535735|-0.00128296|0.00892776|0.00049463|-0.00116687|-0.00388291|-0.00015118|-0.00026562|-0.00008087|0.00020443|0.00042827|0.00026150|0.00000639|-0.00000133|-0.00000258|-0.00000293|0.00001104|-0.00000183|-0.00002357|0.00000289|0.00000068|0.00002151|0.00002054|-0.00000263|-0.00001761|0.00000219|0.00003027|-0.00004719|0.00005993|0.00001379|0.00013230|-0.00005963|0.00017193|-0.00014310|-0.00005191|0.00028752|-0.00030305|-0.00034650|-0.00022288|0.00098112|0.00005174|0.00099438|0.16806533|-0.03189114|0.27003279|-0.00002529|0.00003520|0.00010836|-0.00046016|-0.00005839|-0.00012733|0.00050130|-0.00003666|0.00115599|0.01133681|-0.00256080|-0.00885477|-0.00033852|0.00060543|-0.00026628|-0.00010354|-0.00095773|-0.00005678|-0.00563439|0.00345900|-0.00090496|-0.00772327|0.00527370|0.02946040|-0.17384424|0.03560747|0.14493352|-0.00091862|0.00048400|-0.00287065|0.00018237|0.00011083|-0.00015070|0.00001619|-0.00004912|-0.00006244|0.00005137|-0.00001500|0.00002301|0.00000543|-0.00000755|-0.00001624|0.00000500|-0.00000240|-0.00001244|0.00002660|-0.00000853|0.00005642|-0.00141596|-0.00009807|-0.00087022|-0.00000915|0.00011822|0.00009586|0.00010198|-0.00003317|0.00016806|0.00018044|-0.00023820|-0.00018578|0.00017616|0.00014591|0.00006735|-0.00008696|0.00022749|0.00167271|0.00051148|-0.00174524|-0.00083804|0.17680252|-0.00005127|0.00001857|0.00009852|0.00020812|0.00006442|-0.00013906|-0.00026878|0.00044571|-0.00040849|-0.00002278|0.00414581|0.00223796|0.00024693|-0.00196075|0.00059727|-0.00089818|-0.00028698|0.00102799|0.00533326|0.01013995|0.00194076|0.00389632|0.00802500|-0.00857645|0.03523722|-0.05085852|-0.04359399|-0.00114621|0.00027459|0.00105010|0.00013227|0.00023903|-0.00024625|0.00001017|-0.00010258|-0.00022413|0.00003708|-0.00003431|0.00001322|0.00004564|-0.00006767|0.00000654|-0.00002419|0.00000048|-0.00000298|-0.00009626|-0.00011728|-0.00008464|-0.00005454|0.00034977|0.00013512|0.00003821|-0.00031678|0.00001920|-0.00016220|-0.00015082|-0.00011469|-0.00000940|0.00009140|-0.00036042|0.00019184|0.00036520|-0.00037600|0.00000500|0.00005291|-0.00141111|-0.00186915|-0.00674005|0.00059525|-0.04034330|0.03692312|-0.00023423|0.00000425|0.00053477|-0.00000338|0.00014638|-0.00111330|0.00081089|-0.00041375|0.00074216|0.01731267|-0.00468217|-0.00939278|-0.00070404|0.00181327|-0.00101500|0.00076840|-0.00042130|-0.00000788|-0.00173225|0.00002878|-0.00095202|-0.00512588|0.00120599|0.00821044|0.15064255|-0.04450707|-0.27240752|-0.00097461|-0.00080364|-0.00375596|0.00002449|-0.00031212|-0.00009746|0.00001642|0.00048795|0.00025562|0.00020154|-0.00010625|0.00008448|0.00000465|-0.00002193|-0.00003249|-0.00003084|0.00003475|-0.00002914|0.00009551|0.00008427|0.00018634|-0.00060804|-0.00010739|0.00105850|-0.00030816|0.00054020|-0.00010576|-0.00013479|0.00017384|0.00021739|0.00010303|-0.00049239|-0.00023132|0.00010302|-0.00011473|0.00029283|-0.00004451|-0.00014639|0.00047679|0.00098817|0.00014869|0.00027570|-0.16239624|0.04714795|0.27734332|-0.00000388|0.00002177|-0.00001786|-0.00016701|-0.00019756|-0.00028047|0.00195085|0.00019706|0.00047975|0.00227544|0.00003189|0.02882490|-0.00097109|0.00051736|0.00212410|-0.00106450|-0.00077919|-0.00067716|0.00152775|-0.00060920|-0.02312139|-0.00122336|0.00420678|-0.00077260|-0.00369336|-0.00286887|0.00200891|-0.05840564|-0.00087048|-0.01038589|0.00071408|-0.00262494|-0.00954187|0.00020706|-0.00084032|0.00035615|-0.00002824|0.00000486|-0.00001132|-0.00000917|0.00000381|-0.00000014|0.00000730|-0.00000153|-0.00000067|0.00003267|0.00002743|0.00002803|0.00012602|0.00005555|-0.00013129|-0.00013797|0.00009352|-0.00002255|-0.00039724|0.00017086|-0.00058510|0.00004510|-0.00008706|-0.00011521|0.00008914|0.00006183|0.00004729|0.00006153|-0.00097650|0.00044365|0.00058115|-0.00016361|-0.00093339|0.00068339|-0.00040620|0.00121129|0.05780509|-0.00000045|-0.00003750|-0.00002566|0.00003763|0.00005668|0.00009251|0.00016210|-0.00023202|-0.00042329|0.00160623|-0.00002987|0.00666654|-0.00065799|-0.00133281|0.00248446|0.00058044|-0.00126388|0.00316163|-0.00247840|0.00108477|0.01938562|0.00162857|-0.00174907|0.00323872|-0.00052634|0.00070132|0.00246473|-0.00122749|-0.06214629|-0.03291065|-0.00275024|-0.00845020|-0.03861564|-0.00084698|-0.00304931|0.00132266|-0.00000225|0.00001261|-0.00000252|-0.00000181|0.00001050|0.00000090|-0.00001555|0.00000299|0.00000851|-0.00000182|-0.00001518|-0.00000354|0.00000796|-0.00002316|-0.00001964|-0.00004318|0.00004117|-0.00001645|0.00004218|0.00016450|-0.00004354|-0.00005267|0.00002655|-0.00009455|0.00002486|-0.00002659|-0.00012007|0.00000169|0.00054874|-0.00064967|-0.00062272|-0.00033186|0.00084816|0.00009106|-0.00047302|0.00032084|0.00506438|0.07663987|0.00003524|0.00004592|-0.00002060|0.00026677|-0.00007215|0.00025812|-0.00048084|0.00014068|-0.00009412|-0.00262387|-0.00145980|-0.01179999|0.00143292|-0.00247257|0.00214638|-0.00232656|-0.00164558|0.00218408|0.00141650|-0.00246037|-0.01054454|-0.00029147|0.00137805|-0.00243606|0.00099883|0.00134446|-0.00250151|-0.00838546|-0.02324419|-0.34479086|-0.00122357|-0.00500707|-0.00523101|0.00003712|0.00015825|0.00050462|0.00003104|-0.00000594|0.00002430|-0.00000287|0.00000076|-0.00000547|0.00002391|-0.00001280|0.00000370|0.00000195|0.00001754|0.00000101|-0.00017574|-0.00005255|0.00013779|-0.00000559|0.00003451|-0.00000087|0.00065470|-0.00023094|0.00053586|-0.00001150|0.00030645|-0.00003531|0.00015523|0.00025666|-0.00002672|-0.00052757|0.00017859|0.00025673|0.00038468|0.00047988|-0.00041084|-0.00015724|0.00063059|-0.00050540|0.01078988|0.03174601|0.37231593|-0.00000417|-0.00003612|-0.00001838|-0.00002273|0.00001073|0.00002091|-0.00001374|-0.00010407|-0.00005287|-0.00003346|0.00088809|0.00047695|0.00013902|0.00001924|-0.00018915|0.00006678|-0.00011931|0.00020439|-0.00040800|-0.00079844|-0.00046898|0.00000742|-0.00002957|-0.00005050|0.00000490|0.00007030|0.00006010|0.00615365|-0.00127923|-0.00023494|0.00573289|-0.00040418|-0.00011669|-0.05608554|-0.09840984|-0.01898912|-0.00000470|-0.00000041|0.00000280|-0.00001455|0.00002029|0.00001454|0.00001274|0.00001621|-0.00000544|0.00001708|0.00002922|-0.00000009|0.00000384|-0.00000753|-0.00000891|-0.00005982|0.00001055|0.00003855|0.00000340|0.00001088|0.00000745|-0.00002789|0.00006893|0.00001111|-0.00005808|-0.00003598|-0.00000828|-0.00003518|0.00003711|0.00000103|-0.00000839|0.00002454|-0.00001789|-0.00002095|-0.00002957|0.00001434|-0.00000510|-0.00001923|-0.00001647|0.04466059|-0.00000045|0.00002917|-0.00001188|-0.00001313|-0.00001732|0.00002473|-0.00001518|0.00000525|-0.00003851|-0.00011771|-0.00015629|-0.00009185|0.00005264|-0.00007887|0.00005001|-0.00012164|-0.00000796|-0.00006660|0.00026084|0.00024136|0.00014255|0.00006918|0.00008413|0.00005573|-0.00002050|0.00008123|0.00001441|-0.00139259|0.00096163|-0.00115614|-0.00065799|0.00318905|-0.00022451|-0.09811362|-0.42190405|-0.07579134|0.00000132|-0.00000221|0.00000889|-0.00000357|-0.00001091|-0.00000317|0.00002347|-0.00000254|-0.00000259|0.00001075|0.00000532|-0.00000253|-0.00000048|-0.00000021|0.00000058|-0.00003906|0.00001841|-0.00000074|0.00000673|0.00000673|0.00001544|0.00001038|0.00001717|0.00001743|0.00003156|0.00004257|0.00002190|0.00000082|-0.00002188|-0.00000250|-0.00000339|-0.00004250|0.00000229|-0.00000415|-0.00002720|-0.00000802|-0.00003162|-0.00012895|-0.00005439|0.10006739|0.41771887|0.00000575|0.00000919|0.00000879|-0.00000234|0.00000213|0.00001711|0.00002802|0.00003068|0.00001246|0.00013804|-0.00045055|-0.00012544|-0.00013045|-0.00004834|-0.00012590|0.00008748|-0.00010215|-0.00012594|-0.00033075|-0.00035060|-0.00011861|-0.00004522|-0.00005872|0.00001955|0.00001411|-0.00006904|0.00001474|-0.00038482|-0.00156168|0.00648898|0.00027410|0.00129654|0.00491403|-0.01926386|-0.07697324|-0.04454241|-0.00000766|-0.00000659|-0.00001527|0.00000195|-0.00000632|0.00000840|0.00000236|0.00000263|-0.00000288|0.00000144|-0.00000211|-0.00000681|0.00000788|0.00001246|-0.00002446|0.00000865|-0.00000040|0.00004776|-0.00002516|-0.00002511|-0.00004326|0.00000999|-0.00004973|0.00001876|-0.00002968|-0.00003983|0.00002075|0.00000959|0.00002031|-0.00000213|-0.00000634|0.00004802|-0.00003650|0.00002842|0.00003773|-0.00003232|0.00028297|0.00118391|0.00003478|0.01932555|0.07710082|0.03359581| 158.10955 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 67 68 69 70 71 72 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 69.2286 90.7787 116.2387 163.7002 176.4133 262.0996 305.0507 328.3600 358.6035 431.8097 450.7348 499.3349 527.9969 562.1808 648.2480 741.1438 749.5592 784.2666 786.3560 799.8197 808.0169 835.1732 889.9217 900.2927 930.7088 963.3816 985.4677 993.2707 1037.0468 1054.2600 1059.6263 1072.6220 1107.4092 1116.3377 1149.0544 1189.7553 1191.3496 1242.8163 1281.9809 1312.1272 1356.2336 1375.1000 1393.2352 1395.7739 1447.9764 1455.1571 1462.8462 1484.6093 1504.7246 1552.0897 1567.3308 1634.5879 1640.0833 1644.0530 1655.4018 1781.4771 1828.4544 2406.8326 3188.2794 3198.2700 3203.5589 3219.3166 3238.0918 3259.8565 3262.6818 3264.1104 3301.4369 3387.5875 3393.1217 3414.4315 3420.2751 3663.2974 1.7829 3.0592 2.9871 3.6693 3.4136 1.1230 2.4882 3.1898 3.5549 3.4983 2.8628 3.0856 3.9250 3.7705 3.1841 3.1846 1.3709 2.5020 1.3021 1.3395 1.3762 2.0521 3.9395 3.3661 1.3908 2.4887 2.4707 2.2586 2.2298 1.3574 1.9968 1.6433 2.5293 2.4171 2.6495 1.1921 1.1556 2.6150 1.7871 1.8252 1.7417 1.5929 1.2889 1.4260 1.5122 1.4573 1.1916 1.7080 1.3716 1.5034 1.3515 1.0711 1.0699 1.0419 1.0925 5.9024 6.3777 5.7339 1.0621 1.0421 1.0593 1.0988 1.1034 1.0854 1.1023 1.1038 1.0901 1.0870 1.0871 1.1085 1.1088 1.1691 0.0050 0.0149 0.0238 0.0579 0.0626 0.0455 0.1364 0.2026 0.2693 0.3843 0.3427 0.4533 0.6447 0.7021 0.7884 1.0307 0.4538 0.9067 0.4744 0.5049 0.5294 0.8433 1.8382 1.6075 0.7098 1.3609 1.4137 1.3129 1.4129 0.8889 1.3210 1.1139 1.8276 1.7747 2.0611 0.9942 0.9663 2.3798 1.7304 1.8514 1.8876 1.7746 1.4741 1.6368 1.8680 1.8181 1.5024 2.2180 1.8297 2.1338 1.9561 1.6861 1.6957 1.6593 1.7639 11.0366 12.5627 19.5701 6.3612 6.2802 6.4051 6.7095 6.8166 6.7957 6.9134 6.9288 7.0001 7.3494 7.3746 7.6143 7.6427 9.2436 0.0009 0.0255 0.0153 0.4341 0.2784 0.0109 0.5529 0.0918 2.0785 4.1654 1.9123 0.0365 6.1453 1.1690 0.1402 1.3810 30.9887 0.1414 51.3155 0.9688 46.9617 50.2094 9.5412 14.0293 1.1146 6.9305 1.2686 7.2807 1.9072 0.1386 2.2971 4.7100 2.9293 2.1359 2.6428 0.5844 0.5166 2.6629 1.1976 0.6889 1.8189 0.3836 0.6213 0.4454 1.0851 1.2445 0.7336 24.7181 16.5737 0.1883 0.9924 0.5433 0.7571 5.3596 2.8352 4.5692 1.1457 0.3455 11.2582 74.9061 19.0545 4.2634 13.8672 14.8108 67.3616 100.5813 39.8921 6.4787 10.7507 23.1440 15.2128 56.0677 0.1867 2.0568 1.0384 5.1668 7.0997 0.0503 1.5821 2.4971 4.4346 2.1351 8.2572 3.8532 3.2402 9.2619 7.4324 3.8649 0.6679 1.6803 2.8958 0.4259 2.4552 4.7590 6.5306 3.2445 0.4568 6.9681 10.7561 3.3482 3.8826 0.2718 5.4371 1.8721 8.3864 1.7459 0.7742 16.5910 11.1733 8.4037 7.0564 9.3364 8.3859 5.7256 0.4194 5.4642 1.5460 1.4527 20.1503 1.2124 3.7645 0.3769 1.7030 32.2450 2.6744 19.5679 1.9955 3.1239 28.0967 151.1969 37.9620 88.7761 107.9958 105.4163 10.0394 70.7036 96.2423 35.0581 116.5553 94.7586 70.2177 132.0288 164.8959 32.7223 0.7450 0.7347 0.7400 0.7252 0.7184 0.7499 0.7134 0.1873 0.4747 0.6519 0.7354 0.7495 0.4992 0.4120 0.7184 0.1285 0.1154 0.6725 0.6649 0.7381 0.6952 0.0967 0.1434 0.6545 0.4599 0.7175 0.0307 0.6730 0.4426 0.6985 0.4371 0.6436 0.4803 0.7387 0.7412 0.7074 0.6801 0.2406 0.4056 0.2110 0.5336 0.7500 0.7031 0.5635 0.6975 0.2315 0.7412 0.7445 0.1622 0.4482 0.7446 0.7161 0.7246 0.7498 0.7458 0.7046 0.1842 0.2935 0.2805 0.0272 0.0623 0.7177 0.4966 0.2971 0.6646 0.6842 0.3469 0.7388 0.7244 0.2580 0.0682 0.2438 0.8538 0.8471 0.8506 0.8407 0.8361 0.8571 0.8327 0.3155 0.6438 0.7893 0.8475 0.8568 0.6659 0.5836 0.8361 0.2277 0.2070 0.8042 0.7987 0.8493 0.8202 0.1764 0.2509 0.7912 0.6301 0.8355 0.0595 0.8045 0.6136 0.8225 0.6083 0.7831 0.6489 0.8497 0.8514 0.8286 0.8096 0.3878 0.5771 0.3485 0.6959 0.8571 0.8257 0.7208 0.8218 0.3760 0.8514 0.8536 0.2791 0.6190 0.8536 0.8346 0.8403 0.8570 0.8544 0.8267 0.3111 0.4538 0.4381 0.0529 0.1174 0.8356 0.6637 0.4581 0.7985 0.8125 0.5151 0.8498 0.8402 0.4101 0.1277 0.3921
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 25 26 6 6 6 6 6 6 6 6 6 6 6 6 1 1 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 1.00783 1.00783
1293.74998 2401.20283 3069.88330 0.99986 0.01685 -0.00118 -0.01684 0.99981 0.01009 0.00135 -0.01007 0.99995 1 0.06695 0.03607 0.02821 1.39497 0.75160 0.58789 99.60 130.61 167.24 235.53 253.82 377.10 438.90 472.44 515.95 621.28 648.51 718.43 759.67 808.85 932.68 1066.34 1078.45 1128.38 1131.39 1150.76 1162.56 1201.63 1280.40 1295.32 1339.08 1386.09 1417.87 1429.09 1492.08 1516.84 1524.57 1543.26 1593.31 1606.16 1653.23 1711.79 1714.09 1788.14 1844.48 1887.86 1951.32 1978.46 2004.55 2008.21 2083.32 2093.65 2104.71 2136.02 2164.96 2233.11 2255.04 2351.81 2359.71 2365.43 2381.75 2563.15 2630.74 3462.90 4587.22 4601.60 4609.21 4631.88 4658.89 4690.21 4694.27 4696.33 4750.03 4873.98 4881.95 4912.61 4921.01 5270.67 0.239146 0.249556 0.250500 0.203040 -462.188425 -462.178014 -462.177070 -462.224531 1.591850D-04
MUNgauss RevisionA2.1 retrievium 05-Apr-2022 GDB_13 Smiles: CCCC12C=CC(C=C1)C2C#C RHF 6-31G(d) (6D,10F) C1 158.109551 |X|Y|Z| 35.667522 24.643184 15.704569
23.988251 7 6 7
|36.858105| |12.461279|36.858105| |7.492598|12.432764|36.858105| |4.853654|7.396332|12.501659|36.858105| |4.109640|5.884908|7.269656|12.335461|36.858105| |3.227688|4.250681|5.155081|8.211204|14.448516|36.858105| |3.084961|3.974777|5.116482|8.465559|8.279221|12.406032|36.858105| |3.227855|4.254132|5.153135|8.214298|6.791808|7.689832|12.398920|36.858105| |4.108554|5.891229|7.258800|12.331804|7.697233|6.791215|8.277136|14.461888|36.858105| |3.677785|4.752329|7.223182|12.149558|8.184956|8.183018|12.237248|8.102558|8.100530|36.858105| |3.410917|4.108854|5.951129|7.363105|5.107080|5.110912|7.400288|6.523198|6.510273|12.952860|36.858105| |3.091574|3.526462|4.746079|5.211095|3.889045|3.892333|5.229434|5.025247|5.014842|7.168250|16.039865|36.858105| |17.536933|8.772234|6.792497|4.499256|3.976315|3.142130|2.959084|2.970459|3.643539|3.575013|3.289846|2.982142|0.500000| |17.538761|8.773997|6.797189|4.499817|3.644863|2.970544|2.959128|3.139919|3.970423|3.572736|3.498000|3.270906|0.301739|0.500000| |17.548958|8.772268|5.460896|4.021278|3.600410|2.895090|2.735483|2.896516|3.602200|3.120627|2.899531|2.660915|0.301654|0.301630|0.500000| |8.874586|17.526826|8.818697|6.761655|6.534571|4.519492|3.913774|4.060491|5.335782|4.435552|3.663754|3.120731|0.210904|0.173119|0.213188|0.500000| |8.876028|17.530398|8.825093|6.760683|5.317761|4.051484|3.912945|4.523167|6.543781|4.430110|3.954465|3.452531|0.173119|0.210951|0.213233|0.304336|0.500000| |6.905168|8.860427|17.528481|8.923043|5.410624|4.306857|4.654559|4.871242|6.676263|6.667300|6.612601|5.586348|0.169855|0.205328|0.140869|0.173489|0.211335|0.500000| |6.912343|8.866047|17.501321|8.917691|6.706293|4.880086|4.652875|4.303574|5.402602|6.681198|5.466951|4.433531|0.205466|0.170111|0.140953|0.211290|0.173578|0.303894|0.500000| |4.331075|6.129419|6.538702|8.189260|17.744181|8.865946|5.676411|5.050618|5.808618|5.760680|4.068113|3.266596|0.118550|0.102275|0.107716|0.215812|0.147876|0.133715|0.177688|0.500000| |2.808411|3.546607|4.057253|5.643678|8.847257|17.745457|8.207991|5.810428|5.051781|5.762303|4.074575|3.272461|0.076769|0.071780|0.071542|0.106819|0.094543|0.096670|0.109875|0.200830|0.500000| |2.642778|3.253377|4.040251|5.786903|5.839760|8.515482|17.626354|8.516755|5.840625|8.416198|6.483662|4.971101|0.071216|0.071227|0.065944|0.089195|0.089199|0.105906|0.105840|0.123752|0.199857|0.500000| |2.808413|3.549388|4.055852|5.645511|5.051408|5.810497|8.208411|17.751929|8.852959|5.720216|5.192882|4.383522|0.071777|0.076700|0.071579|0.094758|0.106905|0.109669|0.096607|0.112882|0.136595|0.200005|0.500000| |4.328213|6.138514|6.525603|8.187168|5.807443|5.050053|5.676250|8.873109|17.751307|5.715466|5.179192|4.370137|0.102206|0.118210|0.107788|0.148594|0.216420|0.176492|0.133492|0.136338|0.112891|0.123791|0.200982|0.500000| |3.523798|4.357929|6.428321|8.648338|7.549206|7.544841|8.664291|5.714638|5.715947|17.586636|9.148381|6.048623|0.099169|0.093887|0.083109|0.116634|0.108333|0.160290|0.191596|0.158868|0.158777|0.197715|0.123011|0.122956|0.500000| |2.797269|3.074948|3.912686|4.093555|3.205129|3.208110|4.105924|4.072986|4.064607|5.128884|8.487786|18.026324|0.075067|0.083577|0.067853|0.075808|0.084502|0.128475|0.102807|0.077081|0.077231|0.111766|0.103786|0.103447|0.127261|0.500000|
462.186519 -2414.550934 888.328626 -67.333322 -1131.369111 668.941543 -462.427568 2.000522 4038000000000000 41919BB2FFFFFFFE 412A35223B88EE21 40A2000000000000 BBE79CA100000000 410B093FFFFFFFFF