Version2.6 2023-02-09T03:22:52Z 10.1021/ja902302h Gaussian16 RevisionB.01 DOC1ROB 11-Jan-2023 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) GDB_13 Smiles: CC1C(N)CC2=C1C(=C)C1CC21 RHF 6-31G(d) (6D,7F) CC1C(N)CC2=C1C(=C)C1CC21 C1[X(C11H15N)] 75 C1 210 CC1C(N)CC2=C1C(=C)C1CC21 NC1CC2=C(C1C)C(=C)C1C2C1 CC1C(N)CC2=C1C(=C)C3CC23 InChIKey=KSDJDKDVABQRRO-UHFFFAOYSA-N InChI=1S/C11H15N/c1-5-7-3-8(7)9-4-10(12)6(2)11(5)9/h6-8,10H,1,3-4,12H2,2H3 InChI=1/C11H15N/c1-5-7-3-8(7)9-4-10(12)6(2)11(5)9/h6-8,10H,1,3-4,12H2,2H3 CC1C(N)CC2=C1C(=C)C1CC21 C01[X(C11H15N1)] 75 C1 210 CC1C(N)CC2=C1C(=C)C1CC21 N[C@H]1C[C@H]2[C@H]([C@H]1C)[C@@H]([C@@H]1[C@H]2C1)C C[C@H]1[C@@H](N)C[C@@H]2[C@@H]3C[C@@H]3[C@@H](C)[C@@H]12 InChIKey=ITEWQNLPDQTCRQ-SKMMDHMHSA-N InChI=1S/C11H19N/c1-5-7-3-8(7)9-4-10(12)6(2)11(5)9/h5-11H,3-4,12H2,1-2H3/t5-,6+,7-,8-,9-,10+,11+/m1/s1 InChI=1/C11H19N/c1-5-7-3-8(7)9-4-10(12)6(2)11(5)9/h5-11H,3-4,12H2,1-2H3/t5-,6+,7-,8-,9-,10+,11+/m1/s1 4.793671923268D+02 -2.533474872020D+03 707.8233949519 -479.6574627 1-A 2073.2681 44 166 210 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -15.53658 -11.25108 -11.23404 -11.23121 -11.22832 -11.22664 -11.22432 -11.22232 -11.22022 -11.20882 -11.20574 -11.19906 -1.20498 -1.18158 -1.09936 -1.03676 -1.00090 -0.94663 -0.88696 -0.84371 -0.82060 -0.76343 -0.73861 -0.69708 -0.66979 -0.65562 -0.64168 -0.62005 -0.58706 -0.57182 -0.55718 -0.54845 -0.53979 -0.52499 -0.50904 -0.49230 -0.47934 -0.46049 -0.44920 -0.44331 -0.43383 -0.38258 -0.36250 -0.28902 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.14037 0.21361 0.23961 0.26275 0.26621 0.27439 0.27848 0.29492 0.29885 0.31780 0.31939 0.33125 0.33856 0.34345 0.34632 0.35410 0.36060 0.38558 0.39491 0.39932 0.41513 0.43064 0.44581 0.46427 0.47863 0.48731 0.51897 0.53093 0.57200 0.60486 0.66421 0.71990 0.73294 0.74252 0.75201 0.76491 0.78494 0.79724 0.80450 0.82408 0.83929 0.85716 0.86968 0.88691 0.89146 0.90642 0.92298 0.93321 0.93505 0.95854 0.96667 0.98443 1.00102 1.02122 1.04569 1.06417 1.07424 1.09197 1.11717 1.12779 1.13503 1.14170 1.15630 1.15769 1.16608 1.16935 1.18166 1.19261 1.20167 1.21018 1.21072 1.22605 1.24191 1.24398 1.25222 1.26072 1.27157 1.29068 1.31389 1.38827 1.40612 1.42025 1.45016 1.47969 1.50050 1.51222 1.58993 1.62879 1.67583 1.68485 1.69655 1.75758 1.77698 1.83751 1.88368 1.90425 1.92933 1.95721 1.97715 2.02071 2.04924 2.07845 2.09245 2.10107 2.13360 2.14821 2.17543 2.18952 2.20020 2.20903 2.21832 2.24064 2.27004 2.29421 2.31796 2.33501 2.38325 2.40063 2.40919 2.42108 2.47409 2.49244 2.53465 2.53900 2.55425 2.57518 2.58320 2.62526 2.63324 2.68660 2.68969 2.71635 2.75073 2.76548 2.80202 2.81728 2.85040 2.88764 2.90557 2.91051 2.93685 2.95831 2.98212 3.01801 3.05638 3.07507 3.09745 3.12228 3.17371 3.18227 3.26531 3.34275 3.52896 3.61579 4.25772 4.56852 4.62245 4.65257 4.70254 4.71957 4.75152 4.90231 4.91426 5.03556 5.13297 5.22228 11.68420 0.2316 -1.2372 -1.1297 1.6913 |XX|YY|ZZ|XY|XZ|YZ| -68.5676 -70.4936 -74.3203 -0.3757 -6.6475 -1.0748 |XX|YY|ZZ|XY|XZ|YZ| 2.5596 0.6336 -3.1932 -0.3757 -6.6475 -1.0748 |XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| 9.6595 -4.1987 -0.8740 8.0346 -11.1452 -15.6025 5.2004 -5.2496 -1.8192 0.6687 |XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY| -1647.3193 -826.4222 -211.5222 -21.5639 -100.9722 -21.7454 -10.6717 -7.5825 -1.0071 -395.3170 -333.2382 -177.8139 2.0626 -6.2308 7.3608 0 |0.64051126|0.02140810|0.61479967|0.03054622|-0.05306003|0.59312743|-0.11063451|0.02064626|0.03347076|0.52669754|0.02189457|-0.13054299|-0.04607097|-0.04924887|0.59263275|0.03681278|-0.04796270|-0.16460172|0.00923925|-0.07102303|0.62361167|0.01090476|0.00956613|-0.00287070|-0.10019806|-0.02840122|-0.00544934|0.61628638|-0.00674841|-0.01659449|-0.00686742|-0.03151262|-0.16149547|-0.00972048|-0.00189924|0.53350345|-0.01715555|-0.02513892|-0.00288810|-0.00461536|-0.01252224|-0.10100224|-0.01274714|0.02196259|0.64989722|-0.00016381|0.00115948|-0.00019067|-0.01833638|-0.00185476|0.00295447|-0.24912369|0.01507809|0.07692518|0.63104069|0.00063804|-0.00047411|0.00045891|-0.03492962|0.00524499|0.01008155|-0.00395499|-0.12224372|0.01384096|0.01757928|0.74888645|0.00008470|-0.00096046|-0.00131521|-0.00187967|0.00044337|0.00272355|0.02568720|0.00979213|-0.10385961|0.10373134|-0.13169401|0.31506642|-0.00129523|0.00042947|-0.00096426|0.00518576|-0.00110430|0.00826697|-0.10842231|0.03219454|-0.02686055|-0.02563091|0.02945894|-0.02004606|0.52088549|-0.00068685|-0.00016825|-0.00017045|0.00911547|-0.03040296|0.01847946|0.03291114|-0.13870809|0.03612843|-0.00025025|0.00289911|-0.00038149|0.04232488|0.65344284|0.00058503|-0.00089238|0.00204790|0.00613495|-0.00103704|-0.00145063|-0.03001300|0.03455213|-0.13016279|0.00533364|-0.00892663|0.00766931|-0.05608035|0.02868970|0.61491388|-0.00351953|0.00032652|-0.00267201|-0.00947723|0.03410558|-0.01025352|-0.03902675|0.00342164|-0.00531290|-0.00232871|0.00311797|-0.00346900|-0.21562003|-0.04734938|-0.00709396|0.70186124|-0.00127898|0.00028175|0.00187545|0.01483901|-0.01616767|0.00730256|0.01731976|0.01118393|-0.00236881|0.00304866|-0.00575301|0.00351804|-0.07217931|-0.13193503|-0.00042237|0.01175090|0.87943017|0.00011798|-0.00115543|-0.00089615|-0.00410990|0.00986948|0.00652337|-0.01930496|-0.00600071|-0.00148005|-0.00151196|0.00268122|-0.00083560|0.00192177|0.00357931|-0.08884317|0.05298517|-0.17385383|0.26593124|-0.01537169|0.01053187|0.00271274|-0.21521302|0.02634425|-0.02478523|-0.03554545|-0.01135872|-0.00186233|-0.00155570|-0.00285952|-0.00159183|-0.00727927|-0.03576920|0.00806585|-0.12298586|0.02553922|-0.01683754|0.71061290|0.02602032|-0.00878217|0.00268943|0.04955276|-0.11478970|0.01496824|-0.02867161|0.00634849|-0.00345940|-0.00257237|-0.00714259|0.00003571|-0.01477071|-0.02288399|0.00716274|0.01640410|-0.56695256|0.12945092|-0.00889350|0.88499727|0.02828356|-0.00521058|0.00949821|-0.03343322|0.01351304|-0.09407921|-0.00647018|-0.00059854|-0.00138489|-0.00015387|0.00027018|0.00082615|0.00227817|0.00685665|0.01306991|-0.01322936|0.13096032|-0.11450562|0.07298933|-0.17361505|0.24621896|0.00008589|-0.00003178|-0.00031362|-0.00951543|-0.01044852|0.00318077|-0.00248594|0.00274041|-0.00076761|0.00031948|-0.00125049|0.00007148|0.00060150|0.00183777|-0.00284133|0.00025189|-0.02820632|0.00607626|-0.24231280|-0.05737099|-0.00930611|0.57649244|0.00089434|0.00135453|0.00122520|0.00738175|0.01454399|-0.00277555|0.00347072|-0.00315642|0.00117598|0.00086022|0.00151544|-0.00023053|0.00120266|-0.00452539|0.00413837|-0.03760972|-0.03797569|0.00777413|-0.03633305|-0.12647575|0.00511311|0.13049467|0.97685812|-0.00017384|-0.00029752|-0.00015725|-0.00297828|-0.00540666|-0.00028146|-0.00249531|0.00173855|0.00150529|-0.00030305|-0.00101828|-0.00026379|-0.00302721|0.00549180|0.01060253|0.00457762|0.00898303|0.00802614|-0.01441805|0.00110755|-0.08021598|0.02516452|-0.14597561|0.23086377|-0.00014614|0.00004393|0.00000324|0.00174073|-0.00068750|0.00040056|0.00064552|-0.00058771|0.00050148|-0.00036340|0.00028331|-0.00005985|0.00062220|-0.00203420|0.00107064|-0.01031807|0.00125733|-0.00238824|0.00035985|-0.04059052|0.00840029|-0.16646948|-0.11768118|0.01134290|0.73457460|-0.00012658|-0.00013918|0.00001443|0.00110049|0.00056141|-0.00038771|0.00061118|-0.00036542|0.00027048|-0.00017646|0.00026110|0.00000069|-0.00040655|-0.00020711|0.00047789|-0.00098882|0.00770534|-0.00149590|-0.01424061|-0.02030950|0.00458792|-0.11144664|-0.58829632|0.09662158|0.07385546|0.93040192|-0.00008941|-0.00079119|-0.00014926|0.00008891|-0.00017253|-0.00084363|0.00007190|-0.00007983|-0.00008395|-0.00005488|0.00007946|0.00013147|0.00029229|-0.00042105|-0.00065731|-0.00119758|-0.00109313|0.00163651|0.00239283|0.00152646|0.00875087|0.00990037|0.09716417|-0.08418219|0.05827947|-0.16104914|0.16883716|0.00021562|-0.00017408|-0.00017858|-0.00114877|-0.00467784|0.00089186|-0.00228724|-0.00028064|0.00051274|-0.00051503|0.00008060|-0.00028354|-0.00150791|0.00341545|-0.00328547|-0.03668845|-0.03181015|-0.01036679|-0.03933632|0.02081329|-0.00680501|-0.15869420|0.05643203|-0.02953038|0.01384425|-0.00385261|0.00130886|0.65286854|-0.00025333|-0.00004227|-0.00011539|-0.00151793|-0.00205401|0.00301175|-0.00025242|0.00020846|-0.00017956|-0.00010234|-0.00018211|0.00004220|0.00139314|-0.00097795|0.00010941|-0.00940762|0.00056875|0.00011201|0.00544149|0.00709312|0.00260226|0.06642732|-0.16216259|0.01891147|0.02420633|-0.02530676|0.00848572|0.02831377|0.60421070|-0.00061155|-0.00014770|-0.00027393|0.00020252|0.00061053|0.00122529|-0.00006703|0.00008562|0.00033997|-0.00027763|0.00016108|-0.00009839|-0.00108360|0.00189761|0.00152197|0.00810736|-0.00769891|0.00050175|-0.00985932|0.00690277|0.00347926|-0.03815980|0.02379059|-0.09343054|-0.00132100|0.00244760|0.00590310|0.21294926|0.07191949|0.41769540|0.00045793|-0.00015443|-0.00002597|0.00020341|-0.00079761|-0.00257432|0.00008944|0.00050039|-0.00025557|0.00004454|-0.00043006|0.00004526|0.00041905|0.00034545|-0.00045299|-0.02385500|0.01997764|0.02775090|-0.00439055|-0.00199667|0.00078214|-0.00234999|0.00314367|0.02121051|-0.00125663|0.00041334|-0.00060948|-0.06389886|0.04423646|-0.00980792|0.60422506|0.00030782|0.00023779|0.00045042|-0.00108742|-0.00044066|0.00123173|-0.00032592|-0.00078824|-0.00003232|0.00018449|0.00028703|-0.00006915|-0.00036234|-0.00096770|-0.00053677|-0.00494769|-0.00524292|-0.00925988|0.00418784|-0.00250572|0.00170897|0.01545220|-0.02177685|-0.01979196|-0.00073423|0.00317604|-0.00046753|0.00911468|-0.15741942|-0.07665152|-0.20908668|0.40301265|-0.00009213|0.00004746|-0.00012742|0.00033401|-0.00004907|-0.00003037|-0.00025410|-0.00002197|0.00029644|-0.00007021|0.00000974|-0.00017772|-0.00009545|0.00091289|-0.00095988|0.00230375|-0.00183922|0.01031298|-0.00047964|0.00289915|-0.00158346|-0.00177791|0.00474450|0.01284222|-0.00077016|0.00253507|-0.00047275|-0.03372646|-0.11843590|-0.13012768|0.06152601|0.05025377|0.71597451|0.00050181|-0.00006403|0.00024050|0.00121515|-0.00071106|-0.00368413|-0.00095305|-0.00134116|0.00098704|-0.00026291|0.00057133|-0.00034630|-0.00790841|0.00902552|-0.00355813|-0.23146325|0.05916178|-0.02903622|-0.01557999|0.02046934|-0.01020760|0.00801471|0.00400815|-0.00531692|-0.00283218|0.00229945|-0.00015703|-0.11300834|-0.09423005|-0.02016442|-0.13094191|0.03082101|0.09133587|0.58802079|0.00038506|0.00000323|0.00010641|-0.00117629|-0.00467913|0.00208821|-0.00375982|-0.00358807|0.00214190|-0.00118721|0.00183161|-0.00102823|-0.01075015|0.01441772|-0.00438526|0.03555576|-0.11132635|0.02412486|0.03272552|-0.01505361|0.00844922|-0.01099384|-0.03423241|0.01947190|0.00432009|-0.00253696|0.00100752|-0.04998962|-0.16628757|0.01363034|-0.00033406|-0.02762645|0.04655728|-0.04926063|0.52792952|-0.00190853|0.00094736|-0.00056749|-0.00229491|0.00349036|0.00944404|-0.00053564|0.00077154|0.00176177|0.00031525|-0.00002963|-0.00028774|0.00143184|-0.00400352|0.00148425|-0.02760403|0.02675459|-0.09435976|-0.01238262|0.00832901|0.00811803|0.01170656|0.00243210|-0.01253503|-0.00423372|0.00177286|0.00046012|0.00228011|0.05910263|-0.05612459|0.07293009|0.00625891|-0.18678565|0.00313317|-0.25302013|0.55797412|-0.30906751|0.08004813|-0.05683466|-0.01058549|0.00297954|-0.00434102|-0.00122887|-0.00044965|0.00038802|0.00016775|-0.00196956|-0.00074843|-0.00009657|-0.00012618|0.00009062|-0.00056934|-0.00058448|0.00025914|0.00040725|0.00201093|0.00303069|0.00021822|0.00019316|-0.00014303|0.00001420|-0.00006690|0.00016584|0.00005805|0.00002235|-0.00014590|-0.00002159|0.00020827|-0.00005344|0.00000893|0.00000854|-0.00015443|0.33549978|0.07785480|-0.08331024|0.01726699|0.01938429|-0.00549807|0.00669035|0.00154262|0.00033515|0.00062198|-0.00068434|0.00014204|0.00012873|0.00016109|0.00012880|-0.00010034|0.00070492|0.00038985|-0.00027204|0.00073626|-0.00235826|-0.00428427|-0.00004007|-0.00076270|0.00010642|0.00006156|0.00014878|0.00016053|0.00003365|0.00005468|0.00019965|-0.00005842|-0.00022330|0.00004482|-0.00004788|-0.00003807|0.00022872|-0.08712373|0.08377379|-0.05756230|0.01863317|-0.07290900|0.02916667|-0.00779906|0.00784374|-0.00039411|0.00055810|0.00084062|-0.00015853|-0.00109099|-0.00038226|0.00011565|0.00008319|-0.00028118|0.00127342|-0.00020036|0.00054347|0.00031381|-0.00356722|-0.00466516|0.00013751|-0.00042931|0.00010916|0.00002144|0.00009795|0.00006539|0.00007298|0.00008723|0.00014851|-0.00007075|-0.00009543|0.00003518|-0.00013643|-0.00021125|0.00045684|0.06286561|-0.01669357|0.07411220|-0.15224496|-0.13244798|-0.02201475|0.00934314|0.01501490|0.00219136|-0.00211994|0.00117888|0.00324921|-0.00001212|-0.00154776|-0.00068628|0.00021100|0.00000742|0.00000096|0.00012448|0.00012355|-0.00005810|0.00095274|-0.00000130|-0.00068965|-0.00014602|-0.00001919|0.00009293|-0.00040155|-0.00020211|0.00024428|0.00002436|-0.00004060|-0.00003642|0.00003929|-0.00006033|0.00003009|0.00000516|0.00001405|0.00005338|-0.01850652|-0.02943739|-0.00374631|0.16185328|-0.13058577|-0.24628072|-0.02868969|-0.01218657|-0.01722565|-0.00089843|0.00242481|0.00084586|-0.00367044|0.00015562|0.00019979|0.00004987|-0.00019123|0.00010428|-0.00008596|0.00008794|-0.00038195|0.00018375|-0.00049520|0.00070168|0.00035070|-0.00005694|-0.00096541|0.00013904|0.00015456|0.00029310|0.00050074|0.00020594|0.00007708|0.00015253|-0.00012744|-0.00004352|-0.00003417|0.00006737|0.00010634|-0.00011719|0.00593690|0.01213659|0.00153802|0.14588541|0.26525624|-0.02130128|-0.02824851|-0.06451897|-0.01795178|-0.02517118|-0.00267897|0.00355028|-0.00117670|-0.00450424|0.00045320|0.00077921|0.00090778|-0.00009583|-0.00028891|-0.00057497|-0.00001937|-0.00021360|0.00003531|-0.00036896|0.00123086|0.00111147|-0.00001985|-0.00042162|0.00003056|0.00028910|-0.00016049|0.00003087|0.00013968|0.00006323|0.00007441|-0.00005345|-0.00000857|-0.00003078|0.00005223|0.00008982|-0.00009211|-0.00460425|-0.00699283|-0.00175814|0.02082509|0.03455775|0.06408339|-0.05900789|-0.00277037|0.00449719|-0.00063498|-0.00784675|0.01183473|0.00061913|-0.00019403|-0.00091979|-0.00013774|0.00055990|0.00010425|0.00027308|0.00027674|0.00001972|0.00009535|0.00036145|-0.00028892|0.00057345|-0.00160893|0.00063792|-0.00026757|-0.00014266|0.00004528|0.00006244|-0.00007713|-0.00000379|-0.00005587|-0.00004349|0.00005944|0.00001227|-0.00007950|-0.00000417|-0.00000830|0.00004315|-0.00004125|0.00251125|0.01868991|-0.03116503|0.00007933|-0.01075418|0.01999107|0.05618197|-0.00252895|-0.13793766|0.13134687|0.00085091|0.01351111|-0.02032597|-0.00085024|0.00067408|0.00010148|-0.00044737|-0.00049639|-0.00051290|0.00002023|-0.00015932|0.00022344|-0.00004002|0.00011204|0.00013302|-0.00097786|0.00127085|-0.00001680|-0.00003217|-0.00005360|0.00003730|0.00002518|-0.00016519|0.00010623|0.00002985|0.00001701|0.00001050|-0.00002503|0.00003094|-0.00004100|0.00003013|-0.00003271|-0.00002696|-0.00070253|-0.00568687|0.00814004|0.00102546|-0.01504866|0.02619192|0.00144374|0.14617999|0.00486060|0.12817293|-0.27044228|0.00001481|0.01559955|-0.02416476|0.00067127|0.00075258|-0.00016619|-0.00019106|0.00010303|0.00114642|-0.00018061|-0.00047228|-0.00034332|0.00052682|-0.00025665|0.00078577|-0.00180437|0.00128669|0.00100103|0.00031656|-0.00012326|0.00000289|-0.00014933|-0.00000071|0.00007455|0.00006577|0.00000659|-0.00000721|0.00005144|-0.00001658|0.00000224|0.00004475|-0.00017420|-0.00006051|-0.00043795|0.00361245|-0.00553281|0.00078055|-0.00281491|0.00701415|-0.00730713|-0.14090236|0.29310448|0.00145519|-0.00804207|0.01418995|-0.06353744|0.00466345|-0.01141325|0.00237586|-0.00990777|0.01728372|0.00037580|-0.00066310|-0.00023882|-0.00212793|-0.00227003|-0.00176835|-0.00530313|-0.00014694|-0.00069307|0.00283864|0.02150292|-0.03308141|0.00154049|0.00027378|0.00031420|-0.00024364|-0.00037324|0.00017825|0.00042259|0.00077762|-0.00028797|-0.00057271|0.00098312|-0.00025151|-0.00110481|0.00099327|0.00210032|0.00046647|-0.00080959|-0.00052387|0.00030188|0.00020170|-0.00067848|-0.00033646|0.00213404|0.00281828|0.06275382|-0.00051281|0.01242047|-0.02075398|0.00462027|-0.13309446|0.12074704|0.00455104|-0.01663623|0.02612278|-0.00009822|-0.00087605|-0.00055244|-0.00298947|-0.00383496|-0.00087910|0.00083643|0.00004712|0.00056109|0.00189526|-0.00567108|0.00650490|-0.00041069|-0.00047122|-0.00003553|0.00037814|0.00033822|-0.00017731|-0.00001710|-0.00001834|0.00012338|0.00011163|-0.00023986|0.00020656|0.00030920|-0.00014078|-0.00058127|-0.00046877|0.00093550|0.00124465|-0.00059866|0.00093105|0.00105788|0.00185734|-0.00211502|-0.00413151|-0.00969208|0.14858946|-0.00064331|0.01514887|-0.02608728|-0.01063830|0.12278739|-0.25696339|0.00021010|-0.00612203|0.00425826|0.00065601|0.00046314|0.00029842|-0.00079502|-0.00153019|0.00100328|-0.00141772|-0.00070847|-0.00014749|-0.00120584|0.00364325|-0.00343090|0.00022803|0.00102214|-0.00012896|-0.00043363|0.00001106|0.00010983|-0.00009139|0.00007332|-0.00024490|-0.00009786|0.00037709|-0.00009302|-0.00021492|0.00011372|0.00047394|0.00061594|0.00023205|0.00156951|-0.00084195|-0.00031347|0.00078860|0.00241618|-0.00452766|-0.00351289|0.01166563|-0.12987387|0.27966804|-0.00212346|-0.00153700|0.00012874|0.00358822|-0.00496729|-0.01379966|-0.06445701|0.00472744|0.01798866|-0.02222942|0.00982571|0.04643872|0.00311004|-0.00264992|-0.01856530|0.00100539|0.00036169|-0.00059060|0.00073026|-0.00005130|-0.00009586|-0.00015916|0.00000709|0.00040580|-0.00003790|-0.00000369|-0.00000417|0.00009072|-0.00008610|-0.00007848|-0.00007871|0.00008449|-0.00012931|-0.00016552|0.00007077|0.00048196|0.00021779|-0.00024684|0.00017135|0.00047653|-0.00056007|-0.00061762|-0.00012516|0.00010127|-0.00010705|0.00088241|0.00028533|-0.00005561|0.07703609|-0.00518058|-0.00425317|0.00039869|0.00134485|-0.01184231|-0.03477482|0.00402529|-0.07640680|-0.06061494|0.00132340|0.00425530|0.00085327|0.00044823|0.00366899|0.02782470|-0.00078032|-0.00109645|0.00051709|0.00069073|-0.00138209|0.00045233|-0.00041239|0.00039004|0.00017125|0.00006074|0.00007376|0.00007164|-0.00008939|-0.00009133|-0.00001444|-0.00003025|0.00000903|-0.00000674|0.00015397|0.00018892|-0.00038587|0.00026615|0.00020579|0.00024857|0.00085259|-0.00131296|-0.00147356|-0.00004503|0.00025953|-0.00002044|0.00127634|0.00094284|-0.00002842|-0.00652898|0.08653913|-0.00094772|-0.00106438|0.00147543|0.00164919|0.00061388|-0.00594993|0.01602111|-0.06071886|-0.30466112|0.01203748|-0.00148983|-0.00475394|0.00126589|-0.00470016|-0.02115518|0.00010844|0.00168363|0.00018395|-0.00040013|-0.00073580|0.00092853|-0.00014069|-0.00002312|-0.00019880|-0.00006767|-0.00000446|0.00010770|-0.00011494|-0.00001945|-0.00004799|-0.00011679|0.00005765|-0.00025149|-0.00021945|-0.00028435|0.00008427|0.00005595|0.00002429|-0.00006897|0.00020735|-0.00034455|-0.00032283|-0.00003748|0.00036821|0.00032665|0.00010432|-0.00040934|0.00239518|-0.02874795|0.06320615|0.32940422|-0.00021099|0.00108549|0.00033336|-0.00653686|0.00348428|0.00276157|-0.01520401|-0.04533151|-0.00799639|-0.13228446|-0.13605710|-0.02418417|0.00123877|0.00000262|-0.00046141|-0.00006164|-0.00057305|0.00037108|-0.00072819|-0.00212485|0.00005554|-0.00032508|0.00050199|-0.00035076|0.00008110|0.00006506|-0.00000597|-0.00005806|-0.00004071|0.00002239|-0.00010218|0.00007521|-0.00000215|0.00004424|0.00032165|-0.00004928|0.00037623|-0.00025040|0.00001644|0.00023446|-0.00007408|-0.00002064|0.00006038|-0.00001837|-0.00012770|-0.00038800|-0.00052884|0.00016463|0.00150988|0.00042677|0.00065735|0.14117413|0.00021584|-0.00026999|0.00021758|0.00068708|0.00153142|-0.00007713|0.00457234|0.00277972|-0.00319764|-0.14410341|-0.41618433|-0.02637602|0.00018817|0.00141817|0.00025994|-0.00016550|-0.00022345|0.00004972|0.00009002|-0.00003212|0.00010323|0.00008129|0.00012755|-0.00004518|0.00000891|-0.00001799|0.00001367|-0.00003542|-0.00000271|-0.00002996|0.00000096|0.00001933|-0.00000874|-0.00002197|-0.00000788|-0.00001433|-0.00033682|0.00021276|0.00002141|-0.00022245|0.00002873|-0.00001269|-0.00002912|0.00004380|-0.00002663|0.00005667|0.00003422|0.00002209|0.00062222|0.00046621|0.00051425|0.15225905|0.43595597|-0.00026125|-0.00045674|0.00040924|0.00134695|-0.00132971|-0.00030297|0.01090890|0.01242104|-0.00212158|-0.04730507|-0.07857952|-0.03172081|-0.00075389|-0.00025461|0.00133448|-0.00015969|-0.00021469|-0.00061568|0.00037801|0.00024486|0.00028420|-0.00011612|0.00010136|0.00009695|0.00006302|0.00002742|-0.00001075|-0.00001929|-0.00001880|-0.00000531|-0.00001806|0.00003347|0.00001578|0.00002147|0.00008122|0.00000419|-0.00036535|0.00035405|-0.00013381|-0.00034479|-0.00011990|-0.00003114|0.00016012|0.00004139|0.00016822|-0.00036877|-0.00012497|0.00006517|-0.00069408|0.00085922|0.00035771|0.02538540|0.03775528|0.03180459|-0.00031007|-0.00021745|-0.00020173|0.00044661|-0.00018453|-0.00044688|-0.01930096|0.03002989|-0.03080728|-0.18038864|0.12213725|-0.12229201|-0.00664007|-0.00243239|0.00410893|-0.00113248|0.00210936|-0.00095916|-0.00021041|0.00041193|0.00034816|0.00014646|-0.00019012|0.00004677|-0.00008973|-0.00003162|-0.00000409|-0.00016170|0.00001783|-0.00005704|0.00010140|-0.00007162|-0.00002719|-0.00012879|-0.00062730|-0.00008181|0.00032239|-0.00050873|-0.00042820|0.00020748|0.00001575|0.00013106|0.00009501|0.00002713|0.00020339|-0.00036482|-0.00057736|0.00030444|0.00201760|0.00024136|0.00085109|0.01185653|-0.01348388|0.01262975|0.19360085|-0.00075450|0.00043420|-0.00049727|-0.00014365|0.00086378|-0.00030608|-0.00023836|0.00214796|-0.00114500|0.11326297|-0.21415195|0.14777350|-0.00037654|0.00162532|-0.00036790|-0.00004221|0.00006705|0.00002462|-0.00003087|-0.00008640|-0.00016616|0.00006661|-0.00005474|0.00001660|-0.00004757|-0.00001573|-0.00003382|0.00001828|-0.00001639|0.00001143|0.00002770|-0.00003161|0.00000700|-0.00005743|0.00001217|0.00010876|-0.00003633|-0.00088818|-0.00045797|0.00038693|-0.00009944|0.00009204|0.00002842|-0.00008241|0.00013274|0.00006413|0.00003803|0.00028600|-0.00085982|-0.00006497|-0.00006373|0.02580300|-0.02603825|0.02927146|-0.13663315|0.23630852|-0.00125307|0.00080079|-0.00062100|-0.00096455|0.00038740|0.00102174|0.01376185|-0.01174972|0.00460837|-0.15407483|0.19605430|-0.18828367|0.00171845|0.00039122|-0.00007410|0.00028291|0.00002694|0.00066079|-0.00036192|-0.00015327|-0.00045014|0.00010589|0.00001558|-0.00002482|-0.00008209|-0.00005105|-0.00005860|-0.00003068|-0.00001609|-0.00003993|0.00005455|-0.00002254|0.00002948|0.00000386|-0.00010236|0.00005568|0.00050113|-0.00120511|-0.00001299|0.00061805|-0.00018043|0.00011019|0.00005656|-0.00008456|0.00010832|-0.00005313|0.00009096|-0.00025015|-0.00048624|-0.00073086|0.00132928|0.00390498|-0.00870897|0.00135934|0.13661440|-0.17461969|0.17974072|0.00068184|0.00001837|0.00015075|-0.00305051|0.00090323|-0.00302491|0.00162465|0.01871835|0.01180801|0.00035361|0.00063665|-0.00074431|-0.06157274|0.00329506|0.00030530|0.00643348|-0.03439450|-0.01748341|-0.00615204|-0.00132340|0.00069617|0.00097834|-0.00076436|0.00251897|-0.00088610|-0.00004893|-0.00016755|0.00019709|0.00001414|0.00070624|-0.00052131|-0.00025506|0.00018719|0.00148621|0.00146352|-0.00033591|0.00011964|-0.00013596|-0.00015736|-0.00004710|0.00015741|0.00016713|-0.00005941|-0.00009098|-0.00004750|0.00066815|0.00062580|0.00010739|0.00098272|-0.00116332|0.00058638|-0.00048339|-0.00016169|0.00000752|-0.00038939|-0.00042902|-0.00036281|0.05877344|-0.00027691|-0.00018412|0.00039109|0.00228436|-0.00130536|0.00186385|-0.00316572|-0.01781731|-0.01138381|0.00044950|-0.00027112|0.00092619|0.00300376|-0.28147365|-0.11004752|-0.00001593|-0.01178936|-0.00384547|-0.00167478|0.00000951|-0.00070335|0.00010637|-0.00034104|0.00077071|-0.00038227|0.00008196|-0.00004203|-0.00003563|-0.00008058|0.00019099|-0.00062025|0.00019413|-0.00004018|0.00003690|0.00003434|0.00017123|0.00008745|-0.00005108|-0.00002670|0.00002458|-0.00010817|-0.00018106|0.00000443|0.00009255|-0.00005781|-0.00038697|-0.00077849|-0.00001149|-0.00044274|0.00150242|0.00079924|0.00069836|-0.00005993|-0.00016702|0.00046683|0.00018071|0.00010155|-0.00057904|0.30724368|0.00053017|0.00064257|-0.00047891|-0.00270402|0.00284854|-0.00141522|0.00165388|0.02037418|0.00842467|0.00083405|-0.00006347|0.00004605|0.00071757|-0.11322226|-0.11433167|0.00022982|0.00069586|0.00022254|-0.00132862|0.00044786|0.00016001|0.00070618|0.00010015|0.00002702|-0.00027516|-0.00010643|0.00001187|-0.00008800|0.00003792|0.00009672|-0.00018101|-0.00012211|0.00008757|-0.00002118|-0.00025913|0.00015916|0.00003364|-0.00006898|0.00001856|-0.00009978|0.00011519|0.00032448|-0.00004121|-0.00000737|0.00018297|0.00044088|0.00057125|0.00001227|0.00046422|0.00008924|0.00172289|0.00004907|-0.00041848|0.00009858|-0.00009812|-0.00002780|0.00009115|-0.00047644|0.12080793|0.11999719|0.00019236|-0.00002854|0.00058843|-0.00055426|0.00012165|0.00050119|0.00774844|0.00018352|-0.02090914|0.00155847|-0.00093128|0.00045178|-0.09541177|-0.00974791|0.09760979|-0.01190316|-0.00552162|0.03395433|-0.00324588|0.00043967|-0.00183026|0.00099735|-0.00149604|-0.00199410|-0.00077444|-0.00008460|0.00000301|0.00015791|-0.00014658|-0.00036236|0.00017737|-0.00004753|0.00012643|0.00050520|-0.00101382|-0.00024702|0.00007545|-0.00003880|-0.00012981|-0.00008476|0.00011285|0.00000818|0.00005817|0.00012822|-0.00010402|0.00049860|0.00029194|0.00027045|-0.00225441|0.00324904|-0.00263241|-0.00011299|-0.00018058|-0.00040691|0.00029849|-0.00008205|0.00002855|0.00110592|0.00093105|-0.00025307|0.10158050|-0.00005762|-0.00007862|0.00008392|-0.00073441|0.00022569|0.00147658|-0.00954002|0.00028870|0.02160390|-0.00160458|0.00186791|-0.00168526|-0.00792787|-0.06237806|0.02444607|-0.00697995|-0.00363610|0.01480149|-0.00233288|-0.00020795|-0.00019580|0.00060053|-0.00071489|-0.00148765|-0.00034989|-0.00008703|0.00000642|0.00019478|0.00001760|0.00008603|-0.00023368|0.00004180|0.00012388|0.00021362|-0.00015499|-0.00005800|0.00003517|0.00008150|-0.00013874|0.00001894|0.00016902|-0.00010137|0.00009689|-0.00056787|-0.00049990|0.00015845|-0.00059877|-0.00034312|0.00188556|-0.00224111|0.00260308|0.00020858|0.00020347|0.00000047|-0.00040720|-0.00009611|-0.00020305|0.01349285|0.00492235|-0.03242581|0.01350298|0.06285267|0.00009461|0.00033172|-0.00057505|-0.00036192|0.00037781|-0.00021041|0.00761137|-0.00029542|-0.01893874|0.00093340|-0.00182764|0.00293520|0.09131879|0.02457024|-0.29443600|0.00093183|0.00174210|0.00819336|-0.00017136|-0.00125232|0.00031198|0.00052699|0.00019096|-0.00034789|-0.00009618|-0.00016193|0.00010057|0.00011689|-0.00003513|-0.00000323|0.00015544|-0.00008971|-0.00002274|0.00019832|0.00043794|-0.00051655|-0.00004336|0.00007221|0.00003290|-0.00005295|0.00003385|0.00023864|0.00006317|-0.00014180|0.00033460|0.00004135|0.00044095|0.00023447|-0.00219697|0.00349017|-0.00113327|-0.00050073|-0.00004716|-0.00097351|0.00006883|-0.00005819|0.00064831|0.00585588|0.00043260|-0.01523299|-0.10468956|-0.02821184|0.31938990|-0.00015646|0.00013206|0.00013136|0.00010499|0.00027244|-0.00006535|0.00006298|-0.00009265|-0.00009086|0.00007551|0.00005970|0.00000101|0.00001013|-0.00003124|-0.00009434|0.00009484|0.00035532|-0.00003411|0.00024310|-0.00001513|0.00119543|0.01220903|-0.00823684|0.00258597|-0.22220222|0.14769437|-0.05376495|0.00043085|-0.00177348|-0.00140087|0.00018126|-0.00038917|0.00025773|0.00018101|-0.00017571|-0.00004762|-0.00003375|-0.00006493|-0.00000218|-0.00037060|-0.00028996|0.00025515|0.00001963|0.00002865|-0.00000055|-0.00004569|-0.00007638|-0.00002703|0.00000390|0.00002117|0.00002786|0.00001945|-0.00000209|0.00000228|0.00000065|-0.00000105|0.00000577|0.00000535|0.00000318|0.00000821|0.00004100|0.00002928|-0.00000649|0.22560628|-0.00029571|-0.00020417|-0.00016193|-0.00027521|-0.00048806|0.00044515|-0.00014853|-0.00013419|-0.00012864|-0.00000042|0.00014472|-0.00004075|0.00000975|0.00025782|0.00010264|0.00057363|-0.00009022|0.00031857|0.00099378|0.00119616|-0.00224806|0.02803154|-0.01932703|0.00831798|0.14192472|-0.20784344|0.05343650|-0.00445876|-0.00226065|0.00234794|0.00001092|0.00064789|0.00003953|0.00078463|-0.00112964|0.00105248|0.00008962|0.00012305|0.00003981|0.00004115|0.00036939|0.00021305|0.00010743|0.00007255|-0.00008310|-0.00038013|0.00009863|-0.00041695|0.00000818|0.00004210|0.00001045|0.00002341|0.00000212|0.00003699|-0.00004248|-0.00002459|-0.00002074|0.00001996|0.00005758|-0.00000872|-0.00003472|-0.00002279|-0.00000457|-0.15897369|0.21822491|0.00026721|0.00069714|0.00016779|0.00001404|0.00025601|0.00042726|-0.00000659|0.00003406|0.00000867|0.00002452|-0.00006692|-0.00009318|-0.00024546|0.00020551|0.00077702|0.00105333|-0.00038109|0.00061610|0.00195364|-0.00159080|-0.00873544|-0.00640290|0.00367626|0.00344115|-0.05224000|0.05423834|-0.05773160|-0.00104189|0.00208068|0.01193301|-0.00092680|0.00283743|-0.00113273|-0.00030457|-0.00071478|0.00147628|-0.00011464|-0.00017766|-0.00006169|0.00023881|-0.00038273|-0.00022867|-0.00008354|-0.00012414|-0.00005072|-0.00024113|-0.00005295|-0.00013481|0.00001598|-0.00005664|-0.00006581|0.00000661|-0.00000773|-0.00000499|0.00000373|0.00002412|0.00004533|0.00012820|0.00008796|-0.00000090|-0.00011900|-0.00009421|-0.00001763|0.05801853|-0.06026198|0.04651695|0.00010684|0.00014773|0.00005178|0.00013979|0.00008177|-0.00008129|0.00009203|0.00006651|0.00012792|-0.00010773|-0.00007327|0.00000449|0.00001338|-0.00006490|0.00023468|-0.00042598|-0.00005642|-0.00005424|0.00227289|-0.00059020|-0.00131323|-0.00394859|-0.00060435|-0.00105313|-0.34821744|-0.09267044|-0.01828094|0.00075302|0.00113262|0.00090780|0.00021989|-0.00010984|0.00008396|-0.00006437|0.00000187|-0.00000515|-0.00006667|-0.00003232|0.00000369|-0.00001005|-0.00014343|-0.00012528|-0.00005286|-0.00006692|0.00003136|0.00005948|-0.00001107|0.00011989|-0.00001148|-0.00002691|-0.00003081|-0.00000950|-0.00000853|-0.00001891|0.00001519|0.00001401|0.00000248|-0.00002401|-0.00004313|-0.00000360|-0.00010270|-0.00006526|0.00000730|-0.01651279|-0.00803117|-0.00056971|0.36530730|-0.00011912|-0.00019054|-0.00014607|0.00022845|-0.00053868|0.00016960|-0.00001288|-0.00000552|0.00000596|-0.00009348|-0.00000244|0.00000683|0.00024431|-0.00055264|-0.00017739|-0.00217718|-0.00010502|-0.00024070|0.00159474|-0.00392118|0.00405902|-0.03698291|-0.00516540|-0.00191130|-0.08671827|-0.09715797|0.00153774|-0.00017896|0.00140539|-0.00215432|0.00013145|-0.00081821|0.00009500|0.00020906|0.00040261|-0.00034876|0.00000132|0.00007199|0.00003360|0.00003364|0.00016595|0.00014032|0.00006126|0.00006043|-0.00002195|-0.00012276|0.00010453|-0.00019200|-0.00001893|-0.00000546|-0.00001979|-0.00000631|0.00000313|0.00001126|-0.00001197|-0.00000985|-0.00001910|-0.00024191|-0.00011342|-0.00003467|-0.00005553|-0.00001924|0.00001517|0.02174141|0.01126556|0.00093620|0.10199259|0.09523969|0.00011357|-0.00007566|-0.00002832|0.00006290|-0.00007240|-0.00006208|0.00003511|0.00002778|-0.00010323|0.00003855|-0.00001406|0.00002199|0.00037123|-0.00047523|-0.00168960|-0.00009768|0.00005358|-0.00027606|-0.00235008|0.00381820|0.01322237|0.00707378|0.00287951|0.00698581|-0.01941187|0.00099859|-0.04306117|0.00162937|-0.00167119|-0.00728524|0.00050801|-0.00161142|0.00042936|0.00007147|0.00045591|-0.00032127|-0.00000119|0.00000084|-0.00002131|0.00003317|0.00002930|-0.00000651|0.00001509|0.00000570|0.00001026|0.00013192|0.00007881|0.00004124|-0.00004355|-0.00004131|-0.00000121|0.00000399|-0.00000323|-0.00001309|0.00001116|0.00000879|0.00001430|-0.00028155|-0.00012948|0.00000441|0.00038250|0.00025158|0.00004318|-0.00717045|-0.00273505|0.00292737|0.01977961|-0.00222203|0.02935650|0.00000729|-0.00003143|-0.00010971|0.00005519|-0.00081348|-0.00022475|-0.00038615|0.00008760|0.00021322|-0.00022818|-0.00003560|-0.00005825|-0.00012129|0.00072902|-0.00028819|-0.00130506|-0.00287264|-0.00012306|-0.00265734|0.00281723|-0.00088919|-0.01131052|-0.00600259|-0.00673694|0.00041612|-0.00043053|0.00094882|-0.25875518|-0.05088440|-0.15213179|0.01178946|0.00087619|0.00953885|-0.01125087|0.00178093|-0.01118588|-0.00004017|0.00002928|0.00005057|0.00001848|0.00003036|0.00000096|-0.00001855|-0.00002482|0.00003543|-0.00008490|0.00007910|-0.00006060|-0.00001626|-0.00001932|-0.00006060|-0.00002483|-0.00001821|-0.00001424|-0.00002602|0.00000788|-0.00001805|0.00002246|-0.00008918|-0.00000116|-0.00008169|-0.00003106|0.00003470|0.00005577|0.00037099|0.00070663|0.00052557|0.00029538|-0.00092493|0.27054766|0.00000818|0.00002303|0.00002074|0.00044693|0.00115594|-0.00045385|0.00010582|-0.00041803|0.00011962|-0.00001027|0.00029755|-0.00005721|-0.00030575|0.00085329|-0.00014861|0.00087980|-0.00425955|-0.00041062|0.00344537|-0.00367853|0.00117906|0.01947800|0.01164154|0.01500641|0.00053142|0.00114903|-0.00086975|-0.04831823|-0.07461066|-0.03366188|-0.01398418|-0.00561083|-0.00812915|-0.01380193|-0.00356496|-0.01575200|0.00000921|-0.00000069|-0.00002485|-0.00001510|0.00002435|0.00001686|0.00001759|-0.00000449|-0.00003580|-0.00019468|0.00002617|-0.00004154|0.00000370|0.00006530|0.00001096|0.00007094|0.00000208|0.00001259|-0.00005783|-0.00001601|-0.00001407|0.00022549|0.00010232|0.00003413|-0.00000073|0.00004799|0.00000893|-0.00015666|-0.00017830|-0.00074382|-0.00072978|-0.00018890|0.00040592|0.05250328|0.07571194|-0.00005491|0.00000233|0.00001399|-0.00000935|-0.00015513|0.00036312|0.00022957|0.00020048|-0.00019828|0.00008159|-0.00013029|0.00009454|0.00050339|-0.00088540|0.00022146|0.00190073|0.00400602|0.00021530|0.00015486|0.00081993|-0.00026110|-0.00227103|-0.00455685|-0.00229052|-0.00013031|0.00032256|0.00037982|-0.15310950|-0.03469997|-0.15153207|-0.02311077|-0.00249493|-0.01522284|0.01660085|-0.00161002|0.01280861|-0.00000429|0.00000049|0.00000260|0.00000313|-0.00002149|-0.00000601|-0.00000145|0.00000830|0.00000762|0.00009245|-0.00004590|0.00003570|0.00000431|-0.00002175|0.00005543|-0.00002014|0.00000812|-0.00001115|0.00004977|-0.00000429|0.00000678|-0.00007690|0.00003665|-0.00000972|0.00004744|0.00002094|-0.00002841|0.00023426|0.00020499|0.00023595|0.00024090|0.00040838|-0.00026507|0.15984546|0.04279997|0.15479977|-0.00011366|-0.00009762|-0.00017306|0.00040753|0.00012106|-0.00041305|0.00015347|0.00015003|0.00000634|-0.00017041|-0.00006238|0.00002896|0.00011627|0.00059997|-0.00002735|-0.00059570|0.00225648|0.00459353|-0.00090436|-0.00050062|0.00052031|-0.00063945|-0.00114402|-0.00190903|0.00063353|-0.00008192|0.00012743|0.00981455|-0.00718379|0.00182265|-0.27953828|0.14764460|-0.01547618|-0.01658163|0.01154557|-0.00553927|-0.00008934|0.00008668|0.00003866|0.00002643|0.00001890|0.00000548|0.00003378|-0.00001438|0.00000799|-0.00031773|0.00006895|-0.00012194|-0.00002719|0.00000994|-0.00001764|-0.00001462|-0.00000670|-0.00002022|0.00001528|0.00000967|0.00000085|0.00000365|-0.00014006|-0.00004455|-0.00002157|-0.00004802|0.00005249|-0.00006384|-0.00004986|0.00032864|0.00004191|0.00001643|-0.00020283|0.00029746|0.00055019|0.00158644|0.29358570|-0.00009891|-0.00005250|-0.00006040|0.00024743|0.00023458|-0.00005237|-0.00001514|-0.00001123|-0.00008633|0.00000293|0.00002155|0.00000429|-0.00000696|0.00048035|-0.00024393|-0.00072089|0.00085383|0.00345808|-0.00037076|-0.00002169|0.00038225|-0.00116326|-0.00039449|-0.00633307|0.00124527|-0.00036501|0.00019887|0.02882879|-0.01622801|0.00478237|0.14681698|-0.13820314|0.00692404|-0.01619257|0.00845307|-0.00442245|-0.00000759|0.00004189|0.00001811|-0.00000834|0.00004200|0.00001691|0.00001487|0.00000229|-0.00000702|-0.00013746|0.00004597|-0.00007809|-0.00001893|0.00002176|-0.00000922|-0.00000148|0.00000153|-0.00000343|-0.00000531|-0.00000414|0.00000436|0.00005845|-0.00003714|0.00000983|0.00010119|0.00002156|0.00004338|-0.00014166|-0.00014684|0.00061082|-0.00004236|-0.00010844|-0.00038163|-0.00188296|0.00147004|0.00265532|-0.15754044|0.14408520|-0.00005288|0.00006007|0.00004088|-0.00014339|0.00004066|0.00072673|0.00003046|-0.00014607|-0.00008742|0.00003633|0.00006417|0.00004411|-0.00003526|-0.00036899|0.00002974|-0.00063139|-0.00148283|-0.00365403|0.00155416|-0.00084951|0.00127369|0.00065892|0.00086714|-0.00248428|-0.00006599|-0.00012037|0.00017681|0.01111169|-0.00642823|-0.00146456|-0.01991174|0.00950115|-0.06683444|0.01781542|-0.01338719|0.00157442|0.00003211|-0.00001868|0.00000212|-0.00001309|0.00000639|0.00000067|-0.00001871|0.00000449|-0.00000395|0.00028885|-0.00009150|0.00007907|0.00004697|0.00000687|0.00008970|0.00001657|0.00000466|-0.00000574|-0.00000881|-0.00000858|-0.00001209|0.00001988|0.00009695|-0.00002611|-0.00004140|0.00000071|-0.00001596|-0.00000429|-0.00001694|0.00000091|-0.00003489|-0.00000735|-0.00001421|-0.00038799|-0.00102325|0.00172292|0.01527966|-0.00584569|0.06208268|0.00004400|-0.00001236|0.00005763|-0.00006055|0.00006105|-0.00004113|-0.00010332|-0.00001535|0.00012879|0.00006995|0.00001442|-0.00007568|-0.00017490|-0.00004734|0.00039740|0.00232242|-0.00233288|0.00046798|0.00056649|0.00014786|-0.00058291|0.00052010|0.00166132|0.00123522|-0.00011823|-0.00018040|0.00022597|-0.00568844|0.00119368|-0.00298819|-0.11265216|0.01943283|-0.12390822|0.00966087|-0.00210201|0.02343988|0.00002103|-0.00002203|-0.00001733|-0.00000645|-0.00000847|-0.00000677|0.00000105|0.00000426|-0.00000625|0.00002091|0.00000071|0.00003503|-0.00001493|-0.00000739|-0.00008569|0.00000513|0.00000129|0.00001735|-0.00000903|0.00000623|0.00000723|-0.00001690|-0.00001072|0.00002132|-0.00002659|-0.00001274|-0.00006373|0.00002200|-0.00001274|-0.00018700|-0.00004819|0.00000386|0.00004608|0.00100343|-0.00083406|-0.00135760|-0.00762785|-0.00018847|-0.02573532|0.11362489|-0.00004736|-0.00000710|-0.00000049|0.00002068|0.00011973|0.00009791|0.00002221|0.00000198|0.00002474|0.00000599|-0.00001484|-0.00001265|0.00005913|-0.00001749|0.00009613|0.00203263|-0.00013747|-0.00207418|0.00018691|0.00002573|-0.00062487|-0.00198070|0.00273845|0.00199999|-0.00016181|-0.00049859|0.00066206|-0.01557678|0.00513463|-0.02906682|0.01957999|-0.05303703|0.02416999|0.00837343|-0.00558283|0.01161428|-0.00000249|0.00000886|0.00001335|0.00000096|0.00000166|-0.00000963|-0.00000771|0.00000051|0.00001159|0.00005183|-0.00003620|0.00002888|-0.00000294|0.00002742|-0.00001838|-0.00000772|0.00000192|0.00000616|0.00000285|0.00000635|0.00000491|-0.00010998|-0.00007728|0.00001878|0.00000643|-0.00005092|-0.00004087|0.00007182|-0.00009856|-0.00040875|-0.00000107|0.00007339|0.00010443|0.00250518|-0.00202967|-0.00480275|0.00503506|0.00012409|0.01744041|-0.01854345|0.05174991|0.00000898|-0.00001484|-0.00001545|0.00010594|-0.00005903|-0.00018693|0.00021482|0.00005165|-0.00018836|-0.00000157|-0.00002321|0.00011752|0.00034632|-0.00048878|0.00003608|-0.00179604|0.00328374|0.00162166|0.00029262|-0.00091064|0.00136878|-0.00178625|0.00005616|0.00061491|0.00058042|-0.00049016|0.00032708|-0.00051933|0.00136147|-0.00879481|-0.11849292|0.02098897|-0.31805710|-0.00737417|-0.00030341|-0.01682910|0.00001039|0.00000302|0.00000383|-0.00000176|0.00002694|0.00000891|-0.00000793|-0.00000391|0.00000788|0.00000683|-0.00002497|-0.00000570|0.00004677|-0.00000041|0.00011891|0.00000114|0.00000101|-0.00001877|0.00002227|-0.00001097|-0.00001388|0.00003612|0.00006239|-0.00006854|-0.00006182|-0.00001328|0.00003053|0.00000135|-0.00017821|-0.00009046|-0.00000484|0.00003790|-0.00000795|0.00111468|0.00035791|-0.00092786|0.00078870|0.00047568|0.00453194|0.12582100|-0.02200031|0.33836676|-0.00079888|0.00006563|-0.00055293|0.00035544|0.00169597|0.00156233|0.00024012|0.00064218|0.00018013|-0.00016656|-0.00019837|0.00005500|0.00112268|-0.00042674|0.00057265|0.00439028|0.02149514|-0.02465786|-0.00608869|0.00049174|-0.00112986|-0.00375164|-0.00030143|0.00088934|0.00136264|-0.00054957|0.00011160|0.00292683|-0.00721392|0.01406363|0.00221953|-0.01181542|0.01139433|-0.07738974|0.04214074|-0.05122550|-0.00017862|0.00021636|0.00024442|0.00005202|0.00001783|-0.00000507|0.00002850|-0.00002946|0.00003449|-0.00023303|0.00007032|-0.00014860|0.00004904|-0.00010670|0.00004759|-0.00005551|-0.00000748|-0.00005412|0.00002816|0.00003672|0.00001988|-0.00023366|-0.00023344|-0.00007310|-0.00042100|-0.00011245|0.00017191|0.00001760|-0.00028629|-0.00027664|0.00005507|0.00018634|0.00017661|0.00156811|0.00013326|-0.00142890|0.00157607|0.00122759|0.00019412|-0.00133474|-0.00151309|0.00064825|0.07465997|-0.00007468|-0.00004236|0.00004795|0.00006159|-0.00006022|0.00010414|0.00011304|0.00005146|-0.00019276|0.00007485|-0.00006194|0.00002629|0.00023290|-0.00010409|0.00016803|0.00142741|-0.00356700|0.00096941|0.00093369|0.00061208|0.00057034|-0.00448900|-0.00231769|0.00341116|0.00161818|-0.00087845|0.00023957|0.01201411|-0.01104607|0.02007509|-0.00741780|0.00731884|-0.01096456|0.03919382|-0.17739711|0.15572529|-0.00002169|0.00002642|-0.00002176|-0.00000724|0.00001336|0.00001085|0.00003577|0.00002252|-0.00003303|-0.00001051|-0.00004075|-0.00002170|-0.00000889|0.00003811|0.00001364|-0.00001200|0.00000453|0.00001113|0.00002276|-0.00000333|0.00000358|0.00006890|0.00006649|-0.00002823|0.00034176|0.00011421|-0.00002146|0.00001124|-0.00055401|-0.00062032|-0.00006574|0.00011021|0.00031377|0.00102381|0.00199006|-0.00206571|-0.00124372|-0.00032707|0.00170153|0.00180291|0.00157334|-0.00218473|-0.04562546|0.18445845|-0.00019766|-0.00000736|-0.00012808|0.00025373|0.00003004|0.00031341|-0.00004970|0.00017530|-0.00011047|-0.00006167|-0.00009245|0.00004299|-0.00028479|0.00037729|0.00024798|0.00067305|-0.00015189|-0.00039661|-0.00060001|-0.00042962|-0.00031153|-0.00195061|-0.00193157|0.00139308|0.00077263|-0.00039610|0.00014749|0.00811204|-0.00638769|0.00656099|-0.00830795|0.01757084|-0.01811569|-0.04976351|0.15672405|-0.22785593|-0.00005717|0.00006587|0.00004267|0.00001749|-0.00001071|-0.00000609|0.00001968|-0.00000344|0.00000658|-0.00005721|-0.00001558|-0.00003347|0.00001898|-0.00001901|0.00003068|-0.00003077|0.00000292|-0.00002915|0.00001855|0.00001039|0.00001158|-0.00012250|-0.00010345|-0.00012402|-0.00019122|-0.00004704|-0.00004126|-0.00001581|-0.00026044|-0.00022515|-0.00001984|0.00003844|0.00009956|0.00072601|0.00139332|-0.00021056|-0.00124298|-0.00206069|0.00222638|0.00315494|0.00276609|-0.00194987|0.04918631|-0.16723751|0.23841448| 161.12045 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 73 74 75 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 83.0656 110.8995 173.0589 210.7417 229.7213 248.8468 275.6130 296.4131 307.4279 383.1652 475.6835 506.4962 530.2462 569.9922 643.8616 658.2167 719.4026 753.6360 800.0727 828.2955 848.7515 874.5647 878.3392 975.6264 996.4799 1015.7376 1024.2840 1034.2907 1060.1071 1080.4672 1130.4976 1147.8843 1160.9415 1179.9482 1188.9961 1198.7908 1222.0044 1224.8150 1257.0611 1277.7263 1297.9594 1301.3279 1367.3228 1389.5079 1442.8284 1456.9857 1481.8000 1503.1153 1522.9050 1543.4003 1555.5113 1570.5121 1590.8019 1634.6072 1636.0534 1639.6553 1644.8549 1836.6408 1851.4296 1886.3507 3132.0499 3191.4789 3196.9608 3214.1849 3229.8502 3273.1820 3289.3244 3305.2757 3331.8933 3346.7996 3359.5518 3390.6896 3407.6333 3718.5598 3798.7484 3.3993 3.0656 2.8402 2.6643 2.2726 1.2665 1.2304 2.2769 2.6452 2.5991 3.2382 3.3071 3.0977 3.0277 3.3609 3.0384 2.8449 3.1941 1.7709 2.3760 1.9543 1.8725 1.7190 1.3533 2.1800 2.2769 1.4407 2.4432 2.3546 1.6720 1.5586 1.4553 1.9830 1.7383 1.1978 1.8540 1.9348 1.4407 1.9815 1.7671 1.6200 1.6145 1.3786 1.4934 1.4788 1.7963 1.7314 2.1054 1.4815 1.5676 2.4994 1.4408 1.2335 1.2322 1.0631 1.0762 1.0892 1.1238 6.3278 6.7023 1.0851 1.0830 1.0618 1.0377 1.1046 1.1024 1.1033 1.0555 1.0619 1.0910 1.0948 1.1167 1.1172 1.0511 1.0933 0.0138 0.0222 0.0501 0.0697 0.0707 0.0462 0.0551 0.1179 0.1473 0.2248 0.4317 0.4999 0.5132 0.5796 0.8209 0.7756 0.8675 1.0689 0.6679 0.9604 0.8295 0.8438 0.7813 0.7590 1.2754 1.3841 0.8906 1.5399 1.5591 1.1501 1.1736 1.1298 1.5747 1.4260 0.9977 1.5698 1.7023 1.2734 1.8449 1.6997 1.6080 1.6109 1.5185 1.6988 1.8138 2.2467 2.2399 2.8026 2.0244 2.2000 3.5631 2.0939 1.8391 1.9398 1.6766 1.7047 1.7363 2.2335 12.7797 14.0515 6.2717 6.4995 6.3940 6.3164 6.7890 6.9586 7.0334 6.7940 6.9454 7.1999 7.2805 7.5640 7.6433 8.5630 9.2956 0.7158 0.6848 1.3252 3.7673 1.1502 0.4900 23.5338 6.0930 8.5133 2.3873 6.0063 6.0832 1.5212 1.0505 7.0787 8.0331 0.8228 2.6375 0.6002 2.8656 0.3131 8.9224 12.5433 104.6912 11.8243 15.5848 44.1411 10.7547 6.4696 10.3739 0.7553 1.1589 6.1336 6.1060 3.1424 1.2146 14.1202 5.4325 1.3904 0.1864 2.4897 5.3203 0.4127 4.2149 4.6349 1.4673 0.5868 7.9986 1.5950 22.4303 3.7535 4.9733 0.8470 1.6533 5.9219 1.5316 2.0930 42.3997 2.6758 49.7608 56.8496 67.9363 39.8066 31.3953 49.0028 43.6519 40.2046 29.7725 10.1880 21.1848 15.3916 23.7142 19.8281 0.4637 0.4831 1.0181 1.1241 1.8035 2.0480 2.7882 0.5192 1.2666 0.9947 4.0936 1.7915 3.7092 2.6031 1.5816 1.2945 8.4737 2.8806 9.0701 4.9557 9.3484 10.1582 7.7507 5.9956 6.5382 3.8907 6.2813 8.1608 2.0879 11.2431 7.8513 10.6513 2.7994 4.3637 6.4974 9.9924 0.9988 3.6854 4.5639 1.1487 7.4969 4.2065 6.7848 4.2347 3.5749 5.0494 13.5940 14.4151 5.9345 6.0520 3.6281 2.3875 14.8678 6.2297 63.7918 9.4734 13.5717 27.7013 19.9575 9.4826 5.9587 299.5262 57.9480 62.2809 164.8159 111.4570 94.0274 67.4781 48.1044 111.6765 91.3165 107.3688 142.1289 90.7308 85.5993 118.9944 76.0393 0.7497 0.7488 0.7423 0.7034 0.7431 0.7206 0.7309 0.6673 0.5688 0.3175 0.7012 0.3880 0.5512 0.3656 0.7173 0.0835 0.1292 0.2297 0.2030 0.1850 0.7362 0.5572 0.7490 0.6290 0.3471 0.4777 0.6338 0.6550 0.7018 0.4231 0.5269 0.6959 0.1995 0.7137 0.7477 0.3733 0.5064 0.4495 0.2530 0.7474 0.2310 0.3689 0.7188 0.2456 0.3688 0.6534 0.5436 0.2362 0.6118 0.5104 0.6835 0.7057 0.3732 0.5044 0.7377 0.6408 0.5809 0.7367 0.3275 0.2589 0.4577 0.6233 0.1433 0.0044 0.6526 0.6570 0.6811 0.1933 0.1226 0.4804 0.1592 0.5457 0.7296 0.1306 0.7437 0.8570 0.8563 0.8521 0.8259 0.8526 0.8376 0.8445 0.8004 0.7251 0.4820 0.8244 0.5591 0.7107 0.5355 0.8354 0.1541 0.2288 0.3736 0.3376 0.3122 0.8480 0.7157 0.8565 0.7722 0.5153 0.6465 0.7758 0.7916 0.8248 0.5946 0.6901 0.8207 0.3326 0.8330 0.8557 0.5436 0.6723 0.6202 0.4038 0.8555 0.3754 0.5390 0.8364 0.3943 0.5389 0.7904 0.7043 0.3822 0.7592 0.6759 0.8120 0.8274 0.5435 0.6706 0.8490 0.7811 0.7349 0.8484 0.4934 0.4113 0.6280 0.7679 0.2506 0.0088 0.7898 0.7930 0.8103 0.3240 0.2185 0.6490 0.2747 0.7061 0.8437 0.2310 0.8530 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 27 6 6 6 7 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 14.00307 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 1.00783 1072.15741 2347.42381 3121.76326 0.99997 0.00721 0.00004 -0.00721 0.99996 0.00562 -0.00000 -0.00562 0.99998 1 0.08078 0.03690 0.02775 1.68328 0.76882 0.57812 119.51 159.56 248.99 303.21 330.52 358.03 396.55 426.47 442.32 551.29 684.40 728.74 762.91 820.09 926.37 947.03 1035.06 1084.31 1151.13 1191.73 1221.16 1258.30 1263.73 1403.71 1433.71 1461.42 1473.72 1488.11 1525.26 1554.55 1626.53 1651.55 1670.34 1697.68 1710.70 1724.79 1758.19 1762.24 1808.63 1838.36 1867.47 1872.32 1967.27 1999.19 2075.91 2096.28 2131.98 2162.65 2191.12 2220.61 2238.03 2259.62 2288.81 2351.84 2353.92 2359.10 2366.58 2642.52 2663.79 2714.04 4506.32 4591.83 4599.71 4624.50 4647.03 4709.38 4732.60 4755.55 4793.85 4815.30 4833.65 4878.45 4902.82 5350.18 5465.55 0.254977 0.265197 0.266141 0.219601 -479.402486 -479.392266 -479.391322 -479.437862 1.560959D-04 MUNgauss RevisionA2.1 retrievium 09-Feb-2023 GDB_13 Smiles: CC1C(N)CC2=C1C(=C)C1CC21 RHF 6-31G(d) (6D,10F) C1 161.120450 |X|Y|Z| 36.191428 24.588552 12.603673 22.384390 9 6 9 |36.858105| |12.420308|36.858105| |7.312263|12.200123|36.858105| |6.636120|7.542875|13.113632|53.358707| |5.643711|7.667875|12.305757|10.415497|36.858105| |5.700479|8.057597|8.080873|7.160640|12.687360|36.858105| |7.549448|12.625281|8.089599|7.138754|8.105950|14.381146|36.858105| |5.471344|6.896291|4.997692|5.095580|5.174479|8.230112|12.918794|36.858105| |4.984266|5.642022|4.048365|4.409688|3.921110|5.307275|7.557757|14.399786|36.858105| |4.091572|4.922910|4.230026|4.444284|4.940713|8.070672|8.049370|12.624545|7.528046|36.858105| |3.485452|4.379965|4.180727|4.350816|5.036259|7.559092|6.442168|7.370682|5.228055|12.658262|36.858105| |4.142135|5.123574|4.978961|5.096021|6.884504|12.770053|8.131789|7.828758|5.124630|12.612633|12.677369|36.858105| |17.571545|8.743808|6.514014|9.568729|4.784735|4.498533|5.491711|4.250143|4.033695|3.344394|2.968617|3.413201|0.500000| |17.551484|8.804991|5.393148|6.580149|4.534682|4.986392|6.860938|5.819655|5.839512|4.159192|3.399296|3.922525|0.301348|0.500000| |17.580750|8.765947|6.748881|8.826347|6.033105|5.878918|6.844943|5.051912|4.424219|4.067731|3.444282|4.309116|0.302308|0.301322|0.500000| |8.893497|17.508012|8.725663|8.512807|5.677076|5.994754|8.804427|6.182928|5.635862|4.385976|4.022766|4.313977|0.214187|0.211879|0.173426|0.500000| |5.521637|8.911864|17.451827|12.237276|8.940052|6.849449|6.872579|4.663607|3.857351|4.030001|4.236953|4.648955|0.143255|0.124041|0.137716|0.230586|0.500000| |4.957305|5.614545|9.384563|25.862855|7.111204|4.708824|4.410658|3.288495|2.847866|2.993688|3.024337|3.508317|0.143422|0.107595|0.139675|0.135745|0.218309|0.500000| |6.274732|6.868150|9.356242|25.862309|5.660109|4.384461|4.631973|3.462016|3.112093|2.967038|2.900102|3.266520|0.206097|0.131340|0.157041|0.178913|0.220608|0.329333|0.500000| |4.317459|5.618361|8.658629|8.634616|17.526080|8.744584|5.964029|4.316687|3.378824|4.379870|4.889480|6.176909|0.107205|0.100742|0.125301|0.128929|0.225853|0.186016|0.137479|0.500000| |5.555694|6.325797|8.711970|10.038842|17.511443|8.840755|6.401589|4.480993|3.528820|4.349400|4.227629|5.874264|0.132656|0.123280|0.183537|0.131863|0.175613|0.195131|0.148515|0.301967|0.500000| |5.567994|6.009611|4.093403|4.569827|3.717203|4.676697|6.767236|9.082584|17.712910|5.434765|4.201899|4.217172|0.127188|0.194165|0.128815|0.179452|0.108104|0.080640|0.091975|0.088612|0.093728|0.500000| |3.934439|4.284026|3.319988|3.736062|3.300164|4.324915|5.464541|9.081373|17.711351|6.800428|4.850071|4.518450|0.092116|0.126098|0.100526|0.119513|0.089207|0.068442|0.073540|0.081441|0.084021|0.288953|0.500000| |3.551742|3.985652|3.464827|3.826451|3.983151|5.759644|5.767083|8.530191|6.623328|17.720466|8.582164|8.415851|0.082251|0.102910|0.099678|0.100569|0.091483|0.072274|0.071716|0.100130|0.102363|0.134820|0.190063|0.500000| |2.930281|3.514568|3.424319|3.734171|4.086082|5.479181|4.748872|5.426986|4.279943|8.640690|17.691919|8.592552|0.070838|0.080059|0.081352|0.091123|0.096685|0.073347|0.069740|0.114086|0.099573|0.097742|0.116875|0.213072|0.500000| |3.504167|4.620022|4.481081|4.556603|5.075312|7.084070|6.460464|6.854953|5.101499|8.521173|17.710540|8.559275|0.084188|0.093893|0.093295|0.122828|0.133912|0.088059|0.085499|0.140417|0.113531|0.118410|0.128275|0.171182|0.292185|0.500000| |3.626899|4.190466|4.236495|4.623711|5.971195|8.488038|5.845451|5.665993|4.141654|8.381365|8.508460|17.706206|0.084938|0.095456|0.108607|0.098895|0.108810|0.090541|0.082062|0.156424|0.156473|0.097485|0.105702|0.200381|0.208780|0.170955|0.500000| 479.366478 -2533.472439 935.854972 -69.229918 -1187.480908 707.823446 -479.657462 2.000607 4067800000000003 4190DDEE44000000 412888A062E8BA2F 40E399E000000001 401BFFFFFFFFFFFF 415C1A4580000000