Version2.5 2022-11-24T06:57:43Z 10.1021/ja902302h Gaussian16 RevisionB.01 DOC1ROB 11-Nov-2022 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) GDB_13 Smiles: CC1CCN(C=N)C(C#C)C1N RHF 6-31G(d) (6D,7F) CC1CCN(C=N)C(C#C)C1N C1[X(C9H15N3)] 75 C1 210 CC1CCN(C=N)C(C#C)C1N CC1CCN(C(C1N)C#C)C=N CC1CCN(C=N)C(C#C)C1N InChIKey=IYVCPTMXSLTXAM-UHFFFAOYSA-N InChI=1S/C9H15N3/c1-3-8-9(11)7(2)4-5-12(8)6-10/h1,6-10H,4-5,11H2,2H3 InChI=1/C9H15N3/c1-3-8-9(11)7(2)4-5-12(8)6-10/h1,6-10H,4-5,11H2,2H3 CC1CCN(C=N)C(C#C)C1N C01[X(C9H15N3)] 75 C1 210 CC1CCN(C=N)C(C#C)C1N CC[C@H]1[C@@H](N)[C@@H](C)CCN1CN CC[C@H]1[C@@H](N)[C@@H](C)CCN1CN InChIKey=FAKVAFUMLAIXHR-CIUDSAMLSA-N InChI=1S/C9H21N3/c1-3-8-9(11)7(2)4-5-12(8)6-10/h7-9H,3-6,10-11H2,1-2H3/t7-,8-,9-/m0/s1 InChI=1/C9H21N3/c1-3-8-9(11)7(2)4-5-12(8)6-10/h7-9H,3-6,10-11H2,1-2H3/t7-,8-,9-/m0/s1 5.123120848572D+02 -2.658493002482D+03 731.0067368643 -512.8055599 1-A 2143.4826 45 165 210 |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|A| -15.58013 -15.53653 -15.52205 -11.30033 -11.29516 -11.26108 -11.24731 -11.24510 -11.23822 -11.22635 -11.21789 -11.20344 -1.28789 -1.20306 -1.16402 -1.08038 -1.06050 -1.00052 -0.96406 -0.87289 -0.86991 -0.79786 -0.75288 -0.72693 -0.70612 -0.68140 -0.66143 -0.64781 -0.62630 -0.61475 -0.58934 -0.56580 -0.56380 -0.54711 -0.52556 -0.51855 -0.48593 -0.46626 -0.46179 -0.44896 -0.42287 -0.40692 -0.40275 -0.38131 -0.34260 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.19391 0.19984 0.20454 0.23448 0.25019 0.25775 0.26067 0.27366 0.27949 0.30432 0.31354 0.32597 0.33097 0.33274 0.33989 0.34776 0.36035 0.37694 0.38404 0.41460 0.41804 0.43304 0.44492 0.45978 0.47839 0.48201 0.51202 0.54643 0.58535 0.63013 0.69771 0.71849 0.72575 0.73949 0.75823 0.75885 0.77512 0.80422 0.82223 0.83452 0.84971 0.86281 0.88204 0.89802 0.91943 0.93287 0.93892 0.97197 0.98677 0.99897 1.00655 1.01409 1.03864 1.05423 1.05765 1.06834 1.07939 1.10685 1.12011 1.12768 1.13711 1.14998 1.16181 1.17738 1.18433 1.19554 1.20509 1.20900 1.21789 1.23052 1.23957 1.24732 1.25921 1.26620 1.27560 1.29257 1.31071 1.36763 1.40097 1.40722 1.49718 1.50468 1.53249 1.55910 1.58153 1.59894 1.64353 1.68613 1.68914 1.72976 1.77063 1.78539 1.79937 1.81523 1.84346 1.85743 1.88146 1.93097 1.95470 1.97234 2.02894 2.04368 2.07858 2.08576 2.12018 2.16109 2.17025 2.17938 2.20036 2.23598 2.24308 2.29006 2.29463 2.30515 2.31693 2.31922 2.36416 2.37214 2.40686 2.42197 2.43168 2.47966 2.51411 2.53177 2.55336 2.58210 2.59085 2.61326 2.63735 2.68042 2.69903 2.71749 2.73859 2.77806 2.79537 2.85081 2.86592 2.91092 2.92456 2.94377 2.96831 3.00322 3.00834 3.05034 3.09331 3.10210 3.16140 3.17034 3.20960 3.28006 3.35752 3.48406 3.82075 4.25852 4.27131 4.51160 4.61852 4.63431 4.67548 4.73417 4.82869 4.88551 5.04435 5.07981 5.26323 14.59906 -0.7309 2.2865 -0.7697 2.5208 |XX|YY|ZZ|XY|XZ|YZ| -72.2509 -73.6361 -74.1195 -10.2421 -3.8329 0.4920 |XX|YY|ZZ|XY|XZ|YZ| 1.0846 -0.3006 -0.7840 -10.2421 -3.8329 0.4920 |XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| -42.9511 40.3289 4.6704 -1.0313 12.1184 0.7952 -1.4455 -2.6756 3.4676 -4.9623 |XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY| -1524.7784 -945.5012 -221.6261 -18.1347 -38.2580 -120.1372 20.5936 -5.1448 6.7931 -426.3173 -330.4179 -218.0971 -9.4258 -10.6129 0.6381 0 |0.55955301|0.02102533|0.64669577|0.02604065|-0.00502380|0.65286531|-0.20491245|0.02739656|0.03736634|0.58087557|0.02791846|-0.10322018|-0.00983339|-0.00849269|0.55370186|0.03775165|-0.00965487|-0.10995539|-0.01293644|0.00393420|0.67076519|-0.01204539|0.03573493|-0.01483497|-0.10806252|0.02869793|-0.01244258|0.58986031|0.00774146|-0.00753836|0.00244762|0.02939513|-0.18932452|0.03958861|0.05751642|0.60080081|0.00173886|-0.01225523|0.00641565|-0.01222879|0.03789741|-0.11709874|0.01269212|0.03079899|0.66333915|0.00042991|0.00008495|-0.00022400|-0.01281209|0.00959429|0.00082046|-0.20546780|0.03826276|0.04413140|0.57929200|-0.00022127|-0.00781462|0.00336545|0.03824901|-0.00575965|-0.01309640|0.02813263|-0.10928510|-0.00836086|-0.06884956|0.65304893|-0.00035261|0.00382994|-0.00219614|-0.01516356|0.00107996|0.00799244|0.03992413|-0.00887597|-0.11583476|0.02155417|-0.05335160|0.65832071|0.00037016|-0.00020036|0.00025825|0.00677864|-0.00188932|-0.00049993|-0.03010401|-0.04014185|-0.01376151|-0.15773246|-0.04490213|-0.04872937|0.72130302|0.00012103|0.00060831|-0.00011239|-0.00150761|-0.00116234|0.00028848|0.00074991|0.00775933|0.00285478|-0.04425765|-0.19010177|-0.03213858|-0.01777247|0.65744288|0.00001549|-0.00003628|0.00005037|-0.00109571|0.00053831|-0.00028814|0.00341964|0.00705050|0.00456558|-0.02625226|-0.01166382|-0.09387087|0.14444615|-0.06475626|0.22357222|-0.00021107|0.00022057|0.00020519|-0.00144489|-0.00038921|-0.00068683|-0.00090949|-0.00016132|-0.00110798|-0.04128401|-0.01400108|0.00538434|-0.32601321|0.02067050|-0.05738222|0.76776916|0.00010661|-0.00006698|-0.00009274|0.00092266|-0.00060003|0.00030819|-0.00327807|-0.00918679|-0.00301027|-0.02714213|0.02553943|-0.00405818|0.00403169|-0.15819577|0.02257136|-0.06475377|1.10747257|-0.00002180|-0.00008511|0.00012655|-0.00026884|0.00014899|-0.00035425|0.00078992|0.00075894|0.00065674|-0.01145653|-0.00247100|-0.00198407|-0.01833703|0.00938084|-0.06378153|0.07499984|-0.00305924|0.22087453|0.00010928|0.00024285|-0.00022845|-0.00017215|0.00000671|0.00072323|0.00078574|0.00190895|-0.00128660|-0.00040681|0.00392424|0.00298922|-0.04010274|0.06872416|0.00049094|-0.19784786|0.20476254|-0.01280063|0.71300638|-0.00005449|0.00027125|0.00013980|-0.00061057|-0.00038815|-0.00053199|0.00002678|0.00194511|0.00077488|-0.00586286|-0.00910026|0.00152589|0.06273521|-0.01686091|-0.00502317|0.11144839|-0.67401386|0.00356255|-0.21932766|0.76815990|-0.00000052|0.00003812|-0.00006877|-0.00015200|0.00001586|0.00010718|0.00029639|0.00091627|-0.00007965|0.00054056|0.00204406|-0.00300830|-0.00278974|0.00388505|0.00451961|-0.01393140|0.01400679|-0.07052213|0.08253300|-0.00937031|0.07397287|-0.00090425|-0.00392576|-0.00165552|-0.03238819|0.00421921|0.00721805|0.00074714|-0.00004787|0.00069794|0.01385077|-0.02102446|0.01192192|-0.13046123|0.02066221|-0.03055893|-0.00431218|0.04064943|-0.01271692|-0.00578817|-0.00291875|-0.00234393|0.55546303|-0.00259782|-0.00622457|-0.00215477|-0.02618465|0.01219967|0.00984460|-0.00088240|0.00211251|0.00140813|0.00016070|-0.03170655|0.01321668|0.01073404|-0.19466090|0.04355999|0.03059281|-0.01459620|0.00300767|-0.00870602|0.01077503|0.00073963|0.05205364|0.57336000|-0.00169836|-0.00172302|-0.00127359|-0.00342232|0.00332238|0.00686481|0.00104436|0.00027453|-0.00073306|0.00558051|-0.00664093|0.00239604|-0.03839697|0.07379437|-0.09922318|0.00535758|-0.00590411|-0.01064504|0.00167183|0.00009309|0.00162546|0.03281728|0.02065368|0.62447111|-0.00054401|-0.00168122|-0.00045275|-0.00517082|0.00295003|0.00364542|0.00009402|0.00049137|-0.00011126|-0.00211085|0.00153944|-0.00188362|0.00838225|0.00143856|0.00594007|0.00248703|0.00420762|0.00006546|-0.00076775|-0.00021604|0.00034888|-0.16595178|-0.10087476|-0.02821625|0.71919400|0.00030965|0.00125693|0.00045874|0.00265336|-0.00213844|-0.00167591|0.00063233|-0.00016845|-0.00003304|0.00486736|-0.00339185|0.00364156|-0.02872896|-0.03670025|-0.00665280|0.00225896|-0.00356427|0.00031450|-0.00114235|-0.00134890|-0.00000601|-0.09156101|-0.19349172|-0.02994082|0.71933799|1.02732137|0.00037727|0.00063378|0.00076423|0.00187552|-0.00181061|-0.00129585|-0.00021218|-0.00015937|-0.00002354|-0.00240452|0.00115079|-0.00193054|0.01479734|0.01074202|0.00433651|0.00074204|0.00098609|0.00206822|-0.00016868|-0.00005648|0.00006104|-0.02743074|-0.02986527|-0.09253555|0.15589580|0.18976272|0.16327585|-0.00005481|-0.00043621|-0.00012461|-0.00020016|0.00082888|0.00064378|0.00002408|0.00020386|-0.00018269|0.00157329|-0.00048478|0.00115802|-0.00044761|-0.00045260|-0.00184023|-0.00587129|-0.00022863|-0.00081993|0.00204931|0.00088556|0.00012541|0.00639482|-0.00110801|-0.00058034|-0.52190997|-0.59495751|-0.12422001|0.71408670|-0.00007079|-0.00075699|-0.00028028|-0.00122681|0.00183848|0.00090776|0.00026328|0.00030671|-0.00030135|0.00136251|0.00018482|0.00066795|0.00036431|-0.00017314|-0.00077119|-0.00213689|0.00163762|0.00011479|0.00085597|-0.00153537|0.00005601|-0.00181273|0.00783305|0.00069253|-0.59627102|-0.79328390|-0.15580666|0.80227130|1.07771252|-0.00003112|-0.00021923|-0.00016032|-0.00051637|0.00053202|0.00038413|0.00009001|0.00011570|-0.00008801|0.00057055|-0.00015120|0.00049429|-0.00105700|-0.00008593|0.00025214|-0.00166530|-0.00008054|-0.00031067|0.00056559|0.00031673|0.00012907|-0.00284034|-0.00107293|0.00756933|-0.12431337|-0.15595639|-0.07975443|0.16953156|0.20913690|0.11409558|-0.02881670|-0.02606275|-0.00964419|-0.14442406|-0.05021388|-0.01456526|0.01167458|0.00359720|0.00594399|0.00364312|0.00254897|0.00112593|-0.01032975|0.00946772|0.00082500|-0.00219246|0.00144861|0.00067631|0.00049877|-0.00173700|0.00010932|-0.16283502|0.02120085|0.02047789|-0.03715458|-0.00663363|0.00698101|0.00244854|0.00385871|0.00090870|0.53172822|0.00164716|0.00967993|0.00421220|-0.05120552|-0.15605447|-0.01152330|-0.02366514|-0.03296865|-0.00815929|0.00061013|0.00126662|-0.00187677|0.04093563|-0.01543655|-0.00417351|-0.00194743|-0.00672430|-0.00086797|0.00198323|-0.00004722|0.00023919|0.00909873|-0.10011603|-0.00296130|-0.02698093|0.01127410|0.01147798|-0.00174822|-0.00558156|-0.00251420|-0.02040428|0.69550126|0.00510788|0.00980720|0.00546644|-0.01675506|-0.01525964|-0.09982266|0.01187199|0.01017319|0.00821886|-0.00028519|-0.00153466|0.00031339|-0.02076753|0.00499171|0.00145588|0.00125430|0.00511880|0.00021138|-0.00195588|0.00104051|-0.00053768|0.02631708|-0.00979685|-0.09794031|-0.00603040|0.00846847|0.00452820|-0.00157911|-0.00464884|-0.00258028|0.04169378|-0.06222641|0.61394800|-0.00167031|-0.00092967|0.00121236|0.00178633|-0.00393215|-0.02429878|-0.00005868|-0.00000397|0.00152963|-0.00258668|-0.00154614|-0.00010357|0.00161751|0.00091984|0.00141446|0.00243404|-0.00166773|-0.00021694|-0.00047482|0.00161397|-0.00001659|0.00227158|0.00436056|0.03790554|0.00228442|0.00022260|0.00137619|-0.00072486|0.00008050|0.00133778|-0.07989689|-0.00548462|-0.03268330|0.35916953|0.00061316|0.00011968|0.00093295|0.00012390|-0.00392592|-0.03590088|0.00074396|0.00165339|0.00017716|-0.00054200|-0.00018346|-0.00011225|-0.00015704|0.00130830|-0.00207389|-0.00108945|0.00077354|-0.00039511|0.00033176|-0.00037649|0.00008827|0.00128867|-0.00086817|-0.01410453|-0.00059399|-0.00010902|0.00090474|0.00032248|0.00096958|0.00016427|0.00233895|-0.13360951|-0.02174764|0.05149226|0.78702668|0.00116093|0.00024588|-0.00022123|-0.00297390|-0.00710062|-0.01642195|-0.00018004|0.00010051|0.00020483|0.00072945|0.00041055|0.00008823|0.00086162|0.00050379|0.00196436|-0.00266578|0.00062372|0.00022435|0.00082042|-0.00121368|0.00029128|0.00763111|-0.00681072|-0.03585759|-0.00267290|-0.00221272|-0.00042387|0.00095226|0.00136701|0.00083548|0.02574273|-0.01926383|-0.25432897|0.17455614|-0.04195026|0.56797965|-0.17341783|-0.12398751|-0.05792372|-0.02176138|-0.02687073|-0.01340234|0.00124467|-0.00163670|-0.00064190|-0.00014238|0.00000287|0.00028633|0.00011214|0.00026340|0.00000802|0.00040070|-0.00004910|0.00000220|-0.00011838|0.00026996|-0.00000768|-0.00087319|-0.00228782|-0.00081767|-0.00063992|0.00046944|0.00028069|-0.00021368|-0.00029633|-0.00008869|-0.00545550|0.00437785|0.00341942|0.00050743|0.00002492|0.00016300|0.18806583|-0.12619893|-0.19673426|-0.06358545|0.00727036|0.00664299|0.00374607|0.00012634|0.00061633|0.00036576|-0.00004354|0.00038623|-0.00011329|-0.00023422|0.00015734|0.00002816|0.00021164|-0.00003503|0.00002826|-0.00009636|0.00011079|0.00000173|0.00041211|0.00036567|-0.00016580|0.00007013|-0.00006882|-0.00004101|-0.00001445|0.00003091|0.00002604|0.00192819|-0.00043305|-0.00032964|-0.00044307|0.00027141|-0.00002397|0.13833850|0.21045395|-0.05893780|-0.06354668|-0.08984281|0.00915666|0.00968911|0.00356303|-0.00059401|-0.00003520|-0.00002763|-0.00003989|0.00031401|-0.00005037|0.00001352|0.00001552|0.00002913|0.00001381|-0.00001561|-0.00001272|-0.00000102|0.00000738|0.00000173|0.00061229|0.00053095|0.00040933|0.00016556|-0.00015432|-0.00009448|0.00003066|0.00012035|0.00006611|0.00272226|-0.00143763|-0.00153523|-0.00157097|-0.00043211|0.00037965|0.06318225|0.07187623|0.08941801|-0.08100992|0.06755206|-0.02934027|-0.00844760|0.03276951|-0.01642412|-0.00730702|-0.00062451|0.00388401|0.00034573|0.00263949|-0.00121960|0.00027360|-0.00027185|0.00000585|0.00011656|-0.00012061|0.00004647|-0.00016298|0.00001572|-0.00002417|0.00018130|0.00028543|0.00026919|0.00006103|-0.00012094|0.00000034|0.00001756|-0.00002882|0.00000051|0.00123590|0.00158300|-0.00095791|0.00028260|-0.00068707|0.00005412|0.00839493|-0.02146868|0.01119891|0.08498431|0.06974185|-0.27827724|0.09510434|0.00045845|-0.00683861|0.00327496|0.00213124|0.00089855|-0.00176175|-0.00057846|-0.00062383|0.00071708|0.00021441|0.00023736|-0.00003160|-0.00020654|0.00019259|-0.00005974|0.00011799|-0.00008334|0.00000642|0.00015161|0.00012699|-0.00005712|0.00006065|-0.00000530|-0.00003212|0.00004267|0.00009474|0.00001021|-0.00073245|0.00005238|-0.00010474|0.00017835|0.00046893|0.00011528|0.00716501|-0.02227052|0.01019302|-0.07755252|0.30093142|-0.03051989|0.09588207|-0.10095011|0.00315920|-0.01199590|0.00458283|0.00224228|-0.00003771|-0.00053454|0.00039298|-0.00051955|0.00076472|-0.00002638|-0.00004526|-0.00004530|0.00002097|-0.00001418|0.00000046|0.00001953|0.00000142|0.00000607|-0.00018224|-0.00020868|0.00001331|-0.00006048|0.00004145|0.00000103|-0.00001434|-0.00004557|-0.00001314|-0.00057329|0.00047103|0.00036095|0.00018471|-0.00080244|0.00012313|0.00509288|-0.01174098|0.00541060|0.03121629|-0.10605379|0.10131514|-0.05900801|0.00141524|0.01244719|0.00010418|0.00174652|0.03790332|0.00186569|-0.00122553|0.00069674|-0.00008773|-0.00004644|-0.00003028|0.00001457|-0.00005632|-0.00013941|-0.00000233|0.00001604|0.00000240|-0.00000858|-0.00001637|-0.00001461|0.00004373|0.00011557|-0.00003241|-0.00009465|-0.00000591|-0.00015373|-0.00001284|-0.00007312|-0.00005181|0.00125796|0.00019896|0.00146397|-0.00066431|0.00000743|-0.00098415|0.00196932|0.00060339|-0.02475802|0.00038359|-0.00161972|-0.01027491|0.06182641|0.00133217|-0.06088097|-0.01669000|0.00024568|-0.00068021|-0.00900261|-0.00067644|0.00031699|-0.00117316|0.00020080|0.00008362|0.00007359|-0.00002952|-0.00006873|0.00000022|-0.00004230|0.00001415|0.00001125|-0.00000358|-0.00004582|0.00000301|-0.00004234|0.00016312|-0.00023469|-0.00001081|-0.00004435|0.00001467|0.00002183|0.00000732|-0.00001205|-0.00031307|-0.00009908|0.00102330|-0.00025601|-0.00045533|-0.00028474|0.00283369|-0.00043224|-0.02754261|-0.00226397|0.00367849|0.03521667|-0.00319578|0.05816773|0.01702206|-0.01563645|-0.35234903|0.00076355|0.00004288|-0.01018696|-0.00054403|0.00051391|0.00031498|0.00004623|-0.00011658|0.00045450|0.00009502|-0.00000277|0.00011747|-0.00010678|0.00002405|-0.00002636|0.00005716|-0.00005438|0.00002497|0.00008283|0.00023022|-0.00006117|0.00007326|-0.00009617|0.00000833|0.00004282|0.00010120|0.00007128|-0.00015671|-0.00093387|-0.00139723|-0.00283124|-0.00072773|0.00042117|-0.00024744|-0.00059627|-0.00866198|0.00020043|-0.00045990|-0.01202600|-0.01660844|0.01874966|0.38127618|-0.00125716|0.00250675|0.03872632|-0.06179733|-0.00059683|0.00023573|-0.00018444|-0.00031752|-0.01127601|0.00035939|-0.00085880|-0.00123454|-0.00010710|-0.00003201|0.00048458|-0.00010399|0.00002128|-0.00000603|0.00003671|-0.00002679|0.00002935|-0.00016725|0.00031259|-0.00122442|0.00042815|-0.00003463|0.00015810|0.00005493|0.00014018|0.00007422|0.00022704|0.00003860|-0.02555198|-0.00263569|-0.00505021|-0.00083619|0.00160564|-0.00075823|-0.00064881|0.00159660|0.00002790|-0.00095164|-0.00733924|0.00184746|0.00217452|0.06950920|-0.00001423|-0.00026557|-0.00906551|-0.00092443|-0.06159624|-0.01458037|0.00093599|0.00060905|0.03791599|-0.00107875|0.00182202|0.00039430|0.00006537|-0.00028200|-0.00003308|0.00002080|0.00004345|0.00000598|-0.00001029|0.00003510|-0.00002511|0.00044074|0.00065891|-0.00023610|0.00042260|-0.00001887|0.00026454|0.00001597|0.00007569|0.00004722|0.00112055|-0.00103599|-0.02901066|-0.00403860|-0.00497047|-0.00161085|-0.00011749|0.00032205|0.00068476|-0.00059300|0.00008861|-0.00026836|0.00175226|0.00026412|-0.00061502|0.00035359|0.06868590|-0.00003354|-0.00070681|-0.01062317|-0.00256714|-0.01606229|-0.32379725|-0.00020268|-0.00020515|-0.01527477|0.00067546|-0.00089319|-0.00051005|-0.00032589|0.00007428|0.00057553|0.00001161|-0.00006686|0.00009506|-0.00005423|0.00002990|0.00006979|0.00055460|0.00027395|-0.00146694|-0.00005934|-0.00001504|0.00065532|0.00005791|0.00010358|0.00009124|0.00179017|0.00102568|-0.01152590|-0.00180189|-0.00319386|0.00084994|0.00044737|0.00063955|0.00061481|0.00024215|-0.00071643|0.00063148|0.00237442|-0.00058075|0.00083770|0.00005527|0.01642385|0.35436892|0.00084701|0.00024504|0.00038975|0.00819498|0.00920268|0.00480989|-0.16641496|-0.12304261|-0.05433448|-0.01740494|-0.02784467|-0.01428606|-0.00964109|0.00312288|0.00242263|0.00081174|-0.00322761|0.00070445|-0.00023651|0.00104619|0.00009961|-0.00015009|0.00126950|-0.00059597|0.00007026|-0.00015464|0.00010611|-0.00000849|-0.00011370|-0.00003235|-0.00077928|0.00269895|-0.00085635|0.00020115|-0.00002740|-0.00011694|0.00010420|0.00024022|-0.00016257|0.00026103|-0.00012495|0.00001601|-0.00004271|0.00003447|0.00005381|0.00032937|-0.00081317|0.00051705|0.17996215|-0.00169152|0.00092562|-0.00066519|-0.02260881|-0.02444673|-0.01281979|-0.12386906|-0.20292715|-0.06565055|0.00536409|0.00684732|0.00295792|0.00256375|0.00091081|-0.00033297|0.00039878|0.00055053|0.00001492|-0.00015479|0.00006609|-0.00002904|0.00096463|-0.00017506|-0.00028018|-0.00010325|0.00018191|0.00000163|-0.00011723|-0.00006394|-0.00002097|0.00483279|-0.00506525|0.00448653|0.00022744|0.00036988|0.00000862|0.00134723|0.00027646|0.00010955|0.00014946|0.00049368|0.00032273|0.00010485|-0.00002615|-0.00000103|-0.00019721|0.00161528|0.00044758|0.13471997|0.22015959|0.00021263|-0.00071948|0.00003481|0.00987597|0.01191414|0.00484584|-0.05704416|-0.06764032|-0.09074468|0.00768436|0.00979195|0.00305507|0.00244419|-0.00090507|0.00077526|0.00048584|0.00074650|0.00022725|-0.00014243|0.00000038|-0.00000641|-0.00022078|-0.00023732|-0.00002526|-0.00001250|-0.00001756|0.00003447|-0.00000347|0.00000816|0.00000972|-0.00171077|0.00267484|-0.00163030|-0.00027238|-0.00018081|0.00026697|0.00005560|-0.00009375|0.00023704|0.00025928|-0.00000440|-0.00012523|-0.00014674|-0.00006158|-0.00003466|0.00073909|-0.00059002|0.00080586|0.06165249|0.07173856|0.09197026|0.00059412|-0.00059695|-0.00104466|0.00008538|-0.00042359|-0.01213414|-0.06160476|-0.00216225|0.00820427|-0.00125695|0.00166851|0.03975415|0.00317386|-0.00001889|-0.00142825|-0.00044119|0.00049961|-0.00005614|0.00005432|-0.00025037|-0.00025207|-0.00015765|0.00012113|0.00026560|0.00001853|-0.00007964|0.00001032|-0.00000199|-0.00001878|-0.00003021|-0.00022585|-0.00029364|0.00064091|0.00010730|-0.00029441|0.00000036|-0.00002690|-0.00001103|-0.00007105|0.00006448|-0.00011607|0.00022504|-0.00015566|0.00038347|0.00024506|-0.00007927|0.00279298|-0.00076546|0.00175188|0.00098082|-0.02416476|0.06332843|-0.00124085|0.00157212|0.00022246|-0.00051273|0.00188448|0.03627529|-0.00117400|-0.06116883|-0.00084481|0.00019726|-0.00113257|-0.01022092|0.00012091|0.00036777|0.00092144|-0.00041219|0.00032181|-0.00005801|0.00003152|-0.00023036|0.00007742|0.00014304|-0.00049329|0.00022971|-0.00007575|0.00007176|-0.00000428|-0.00001208|-0.00004264|-0.00004515|-0.00035362|0.00144252|0.00095730|-0.00056431|0.00019878|-0.00095735|0.00011079|-0.00002281|-0.00011596|-0.00031955|0.00008151|-0.00027663|0.00062807|-0.00006537|-0.00058491|0.00222013|-0.00657186|0.00305554|0.00212914|0.00081565|-0.02757142|-0.00228375|0.06377362|0.00065160|-0.00055903|0.00031028|0.00046601|0.00001740|-0.01381753|0.01063616|0.00043243|-0.33825442|-0.00100734|-0.00140745|-0.01072894|-0.00006676|0.00077841|0.00173064|0.00006226|0.00024995|-0.00013548|0.00006752|-0.00008073|0.00017236|0.00005766|-0.00003147|-0.00016965|0.00005166|-0.00001479|0.00001626|0.00005520|0.00012260|0.00008483|-0.00058255|-0.00047503|-0.00145031|-0.00101940|-0.00061238|0.00007343|-0.00002016|0.00005339|-0.00001878|-0.00009857|0.00008753|0.00049151|-0.00074311|0.00028226|0.00070780|-0.00071883|0.00291453|0.00038037|-0.00027804|-0.00092045|-0.01120141|-0.01116143|0.00097456|0.36837607|-0.00014565|-0.00002222|-0.00019269|0.00154009|-0.00140066|0.00089940|-0.00019582|0.00469705|0.03748374|-0.06120224|0.00440271|0.00947985|-0.00985487|-0.01370117|-0.02987605|0.00559668|-0.00473921|-0.00167440|0.00038307|0.00238172|0.00054135|-0.00050194|0.00266461|-0.00133242|-0.00001343|0.00004256|0.00023746|0.00002554|-0.00007989|-0.00000261|-0.00039731|-0.00020617|0.00026939|0.00047448|0.00012215|-0.00009192|0.00000445|-0.00001014|0.00003031|-0.00005035|0.00007024|-0.00013918|0.00016803|-0.00009677|-0.00021841|-0.00012056|0.00045793|-0.00082723|0.00154065|-0.00065537|-0.00057864|-0.00697360|0.00248825|0.00227926|0.06857442|0.00014666|0.00011066|0.00011772|-0.00074349|0.00004688|-0.00099697|0.00046751|-0.00013313|-0.00869329|0.00609895|-0.06868817|-0.03419882|-0.01438335|-0.01496255|-0.03340627|0.00500480|-0.00346761|-0.00015242|-0.00105981|0.00216118|-0.00128143|-0.00087145|0.00314784|-0.00423142|-0.00012157|-0.00001214|0.00044285|0.00016303|0.00008715|0.00009738|0.00001691|-0.00038146|0.00018491|0.00018334|0.00012314|0.00014688|0.00001162|0.00000104|-0.00001735|-0.00004432|0.00001906|0.00002792|-0.00006727|-0.00000366|0.00009865|0.00025699|-0.00012209|0.00021249|-0.00024852|0.00056256|0.00055747|0.00141743|0.00069466|-0.00054227|0.00565255|0.07270226|0.00010347|-0.00016058|0.00055504|-0.00039382|0.00046238|-0.00032140|-0.00008832|-0.00024594|-0.01139091|0.00958235|-0.03508093|-0.31874018|-0.01159137|-0.00895254|-0.00391776|0.00430939|-0.00269736|-0.00023562|-0.00110241|0.00186660|0.00104179|-0.00035262|0.00114293|0.00028214|0.00019074|-0.00020917|0.00051645|-0.00007394|-0.00002729|0.00001409|-0.00014914|-0.00019712|-0.00002505|0.00005784|0.00008588|0.00002017|0.00002104|0.00002909|-0.00003923|0.00009744|-0.00007721|0.00000825|-0.00024645|0.00012853|0.00005738|0.00025971|-0.00075173|0.00103293|0.00073953|0.00057255|0.00051160|0.00261061|-0.00043819|0.00095141|-0.00541807|0.04839386|0.34651220|0.00011118|0.00200243|-0.00088465|-0.00642595|-0.00080047|0.00366111|-0.00958121|0.02967755|-0.01708033|-0.09406885|0.09212518|-0.05270121|0.00746294|-0.02625143|0.01355635|0.00272942|-0.00299035|0.00092614|-0.00558446|0.00040142|0.00013882|-0.00427312|-0.00250353|-0.00151104|0.00062617|-0.00139946|0.00047573|-0.00049297|-0.00026444|-0.00017702|-0.00065404|-0.00025574|0.00001650|0.00029535|0.00006818|-0.00008483|0.00003042|-0.00008660|-0.00006223|-0.00070173|0.00023552|0.00020209|-0.00002287|-0.00000777|0.00009500|0.00012562|-0.00041610|-0.00003197|0.00084351|-0.00077197|-0.00059157|0.00194795|-0.00040616|0.00018654|0.00150323|-0.00184182|0.00139478|0.10591364|-0.00003894|-0.00007305|0.00023711|0.00068096|0.00100702|-0.00050899|0.00223091|-0.00252141|0.00189411|0.07940886|-0.26454734|0.11332841|0.00592658|-0.03108578|0.01263287|0.00287459|-0.00251579|0.00120558|0.00262538|0.00148805|-0.00066105|-0.00486015|-0.00104937|-0.00236012|0.00066045|-0.00132145|0.00069906|-0.00042419|-0.00034732|-0.00015892|-0.00060944|0.00046582|0.00018172|0.00027741|-0.00000591|-0.00022032|0.00002954|0.00000585|-0.00000607|0.00002537|-0.00001267|-0.00002838|-0.00002164|-0.00000730|-0.00000620|0.00001015|-0.00004907|0.00010636|0.00041549|0.00040281|-0.00014364|-0.00024085|0.00017836|-0.00044117|-0.00208763|0.00795413|-0.00228813|-0.08738594|0.29123612|0.00018925|-0.00066890|0.00066298|0.00275072|0.00017894|-0.00095505|0.00505859|-0.01421836|0.00728310|-0.04837411|0.12025768|-0.13053495|0.00532085|-0.01077859|0.00593419|-0.00093171|0.00115507|0.00110124|-0.00171620|-0.00031809|-0.00058232|-0.00136692|-0.00100847|-0.00052961|0.00014144|-0.00031716|0.00057081|-0.00007906|-0.00004336|-0.00006219|-0.00002522|0.00026620|-0.00000003|-0.00000110|0.00000965|-0.00000269|0.00000020|0.00001874|-0.00000092|0.00027167|-0.00009886|-0.00009386|-0.00009543|0.00003281|-0.00001055|0.00014556|-0.00026532|0.00055130|-0.00075496|0.00042703|0.00010207|-0.00073412|-0.00040752|0.00089467|-0.01289421|0.03076013|-0.01702458|0.05318847|-0.12380413|0.13244676|0.00004095|0.00016450|-0.00003972|0.00023570|-0.00039504|0.00005649|-0.00066523|-0.00178961|-0.00089043|-0.00331919|0.00606539|0.00052322|-0.02802665|-0.03206162|-0.00641754|-0.18378324|-0.13406165|-0.01654119|0.01618821|0.01596811|-0.00192660|-0.00087913|-0.00289827|0.00019084|-0.00055934|0.00056830|-0.00051725|0.00116694|-0.00027712|0.00038275|-0.00022826|0.00021927|0.00002041|0.00031890|0.00011891|0.00001335|0.00005989|0.00000298|0.00000549|-0.00006939|0.00005755|-0.00000027|-0.00001231|-0.00002025|0.00001048|0.00000624|0.00002990|-0.00001678|-0.00068898|0.00020100|0.00025307|-0.00002156|0.00003787|0.00010533|-0.00042747|-0.00043728|-0.00034151|0.00021693|-0.00003082|0.00016272|0.19702307|0.00000439|-0.00001092|-0.00001123|-0.00003300|0.00009012|0.00007038|0.00031168|0.00036171|0.00010345|0.00213808|-0.00018224|0.00026691|0.00395216|0.00901125|0.00117898|-0.14112070|-0.25075670|-0.02202256|-0.01708570|-0.03625243|-0.00389373|0.00083821|0.00032978|0.00018917|0.00246674|-0.00413298|0.00072916|0.00148675|-0.00191688|0.00050046|-0.00005601|-0.00002519|-0.00020150|-0.00003255|0.00003261|0.00008377|-0.00001503|-0.00000958|-0.00000048|-0.00000455|0.00000550|-0.00000030|-0.00000155|0.00000054|0.00000478|0.00000545|0.00000283|0.00000338|0.00012413|-0.00001167|-0.00004546|-0.00001328|-0.00000110|0.00000024|-0.00000526|-0.00006050|-0.00003635|0.00017223|-0.00011847|-0.00016183|0.14734970|0.28082243|0.00000876|0.00003862|0.00000538|0.00011008|-0.00011791|-0.00001274|-0.00032845|-0.00093321|-0.00022856|-0.00182118|0.00021247|0.00541723|-0.00006188|-0.00252397|0.00799863|-0.02126806|-0.01956662|-0.07285225|-0.00217060|-0.00163345|0.03482484|0.00046831|-0.00093328|-0.00068530|-0.00075007|0.00045377|0.00009992|0.00019576|0.00002062|-0.00006282|-0.00003610|0.00009535|0.00015737|0.00003898|-0.00001947|-0.00010980|0.00002126|-0.00000035|-0.00000011|-0.00000965|0.00001123|-0.00000031|0.00000329|-0.00000497|-0.00000570|-0.00001225|0.00001445|-0.00003301|-0.00027190|0.00006347|0.00001484|0.00005802|-0.00002289|-0.00002123|0.00090181|0.00089379|-0.00017181|-0.00011254|0.00001569|-0.00001224|0.02310326|0.02344323|0.03673761|0.00000984|0.00005907|-0.00003530|-0.00009241|-0.00001397|0.00010496|0.00009314|0.00036854|-0.00017686|0.00015123|-0.00043724|0.00039044|0.00428112|0.00403124|-0.00320315|-0.02128302|-0.01595922|-0.00244024|-0.48001498|0.03356199|-0.06379355|-0.00114118|-0.00050302|0.00061834|-0.00002416|0.00006921|-0.00003209|0.00012721|0.00001717|0.00003851|0.00000241|0.00027381|-0.00035787|0.00000895|0.00001061|0.00009586|-0.00000496|-0.00000895|0.00000074|-0.00002713|0.00001334|0.00000467|-0.00000306|-0.00000261|0.00000701|0.00000532|-0.00000119|-0.00000213|0.00000715|-0.00002423|0.00000212|-0.00003536|0.00000684|0.00004368|-0.00001065|0.00008286|-0.00000232|0.00006988|0.00054936|-0.00029739|0.00367712|-0.00033276|0.00214864|0.49434979|0.00002692|0.00011103|-0.00006078|-0.00032066|-0.00006793|0.00019210|0.00022579|0.00060591|-0.00036791|-0.00154784|-0.00097315|0.00063927|0.00009852|-0.00713492|-0.00006394|0.06131033|-0.01422456|0.00822536|-0.04031551|-0.04248063|-0.00649529|0.00144723|0.00041940|-0.00038042|0.00014624|0.00028174|0.00003452|-0.00037240|0.00007856|-0.00011040|-0.00000602|-0.00045760|0.00020064|-0.00009188|0.00005207|0.00005557|-0.00000724|-0.00001527|-0.00000480|-0.00005880|0.00003603|0.00000668|0.00000054|-0.00000347|0.00000829|0.00001381|-0.00000480|-0.00000769|-0.00002920|-0.00002992|-0.00001740|-0.00004973|0.00001888|0.00006557|0.00009077|0.00006859|0.00003949|0.00029917|0.00085765|-0.00056370|0.00074003|0.00273758|0.00043020|-0.02182565|0.06032794|0.00000839|0.00000550|0.00000639|0.00011444|-0.00002378|0.00001112|0.00003528|-0.00030258|0.00008489|0.00101006|0.00011569|0.00074018|-0.00279377|-0.00021436|0.01461569|-0.00126651|-0.00366279|-0.00438441|-0.06624439|0.00555360|-0.04212150|0.00109426|0.00013118|0.00272327|-0.00029401|0.00011095|-0.00020773|0.00007577|-0.00001374|0.00002522|-0.00008999|0.00028338|0.00003025|-0.00000162|0.00003730|-0.00016240|-0.00000011|-0.00000871|-0.00000080|-0.00000255|0.00000851|-0.00000168|0.00000659|-0.00000160|-0.00000526|-0.00001489|0.00000310|-0.00003840|-0.00009145|0.00000368|-0.00003447|0.00002134|0.00001710|-0.00002291|0.00025264|0.00014133|-0.00033084|-0.00063451|0.00004898|-0.00020312|0.00193641|0.00005349|-0.01099160|0.06682436|-0.00180939|0.04040640|0.00013781|0.00020139|-0.00022021|0.00099192|-0.00019863|0.00061735|-0.00020501|0.00006731|0.00015885|-0.00033972|-0.00107522|0.00104686|-0.00064844|0.00579593|-0.01622200|0.00275546|-0.00121150|-0.00162843|-0.00056712|0.00097486|0.00066865|-0.06462919|-0.00269044|-0.01414835|-0.00404888|-0.00774178|-0.02938943|-0.00129305|-0.00177116|0.00103414|0.00649980|0.00328749|0.03274456|-0.00794442|0.00233049|0.00550866|0.00002830|-0.00003680|-0.00006605|0.00000464|-0.00000257|0.00003299|0.00024897|0.00005793|-0.00005670|-0.00109453|-0.00043586|-0.00015908|0.00006468|-0.00008793|-0.00001865|-0.00002207|0.00012045|-0.00014105|0.00039004|0.00038740|0.00036411|-0.00008549|0.00001509|0.00005720|-0.00004363|-0.00012648|-0.00023582|-0.00003775|-0.00000598|0.00010957|0.06849092|0.00009607|-0.00000324|0.00006089|-0.00068304|-0.00004306|0.00035435|-0.00024240|-0.00031516|-0.00033749|0.00224615|0.00398243|0.00305182|0.01275749|-0.01170057|0.04161981|-0.00804284|0.00201263|0.00280288|0.00203127|-0.00237465|-0.00046693|-0.00453267|-0.06258451|-0.03338113|-0.00420480|-0.00482115|-0.02928740|-0.00205017|-0.00170263|0.00077019|-0.00198932|0.00047993|-0.00927633|0.00324392|0.00026038|-0.00171388|0.00002594|0.00001317|0.00003374|0.00000298|0.00000272|-0.00001625|-0.00008702|-0.00003539|0.00004654|-0.00025649|0.00028923|0.00041025|-0.00018695|0.00006712|0.00001967|0.00012735|-0.00006650|-0.00004049|-0.00008839|0.00019455|-0.00158793|0.00025876|0.00007072|-0.00042944|0.00036390|0.00009666|0.00003869|0.00003849|-0.00009332|-0.00049418|0.00195659|0.07645523|0.00031941|-0.00011991|0.00055048|-0.00127021|-0.00008362|-0.00091367|0.00001887|0.00038744|0.00007346|-0.00083896|-0.00131670|0.00021890|-0.00944055|0.01298948|-0.01404471|0.00523694|-0.00107723|-0.00091979|-0.00155538|0.00194356|0.00026285|-0.01139692|-0.03189891|-0.31807937|-0.00321768|-0.00513203|-0.00556552|0.00014614|0.00010158|0.00080722|-0.00320054|-0.00198741|-0.01375995|0.00428522|-0.00137399|-0.00149458|0.00000361|0.00001022|0.00001215|0.00001684|-0.00001307|-0.00004356|-0.00030081|0.00000309|0.00015654|0.00022358|0.00043559|0.00150230|0.00008976|0.00001444|0.00000013|-0.00009064|-0.00019930|0.00014983|0.00086775|0.00132473|0.00053185|-0.00006262|0.00019621|0.00046994|-0.00013903|-0.00018136|-0.00021501|0.00002104|0.00007440|-0.00007149|0.02061684|0.02640812|0.34904357|0.00002719|0.00011481|0.00003919|0.00014240|-0.00023069|-0.00019434|0.00004598|-0.00002839|0.00001182|0.00009879|-0.00011834|0.00007004|-0.00100253|-0.00055908|-0.00021356|0.00030168|-0.00015914|-0.00001975|-0.00013293|0.00016660|0.00000764|0.00380969|-0.00330147|-0.00063538|0.00580496|-0.00040447|0.00052328|-0.19654395|-0.20398648|-0.04335141|0.00061593|0.00094771|0.00036325|0.00002954|0.00002873|-0.00000820|0.00005810|0.00001035|-0.00000432|-0.00001731|-0.00000078|-0.00000182|-0.00000843|-0.00000912|-0.00000429|0.00000140|0.00000359|0.00001693|-0.00000664|0.00003230|0.00000328|-0.00000872|-0.00000265|0.00000045|0.00000144|-0.00000075|0.00000686|-0.00003148|-0.00002425|-0.00000877|0.00010879|0.00000187|0.00000235|-0.00000136|0.00001609|-0.00000425|-0.00011812|0.00000013|-0.00008197|0.18701412|-0.00001933|-0.00001837|-0.00000007|-0.00010447|0.00007021|0.00004297|-0.00001611|0.00002149|0.00003385|-0.00025143|-0.00003880|-0.00013313|0.00081700|0.00074514|0.00029373|-0.00003326|-0.00033621|-0.00002530|0.00004743|0.00030787|0.00000698|-0.00254588|0.00265917|-0.00076097|-0.00141821|0.00435082|-0.00068041|-0.20357821|-0.28617131|-0.05190606|-0.00066205|-0.00042680|-0.00019680|0.00025734|-0.00004010|-0.00008747|0.00000313|0.00000653|0.00000405|0.00001117|-0.00001544|0.00000475|-0.00000392|-0.00000012|-0.00000114|0.00000628|0.00001285|0.00000461|0.00002906|0.00000815|0.00000204|0.00000016|-0.00000755|-0.00000494|0.00002860|0.00001837|0.00002197|0.00003676|0.00005734|0.00001691|0.00001087|-0.00004321|0.00000182|0.00000135|-0.00007624|-0.00000149|-0.00005087|-0.00005205|-0.00000370|0.20760823|0.27887515|-0.00001886|-0.00002606|-0.00002366|-0.00005951|0.00009750|0.00004431|0.00000514|-0.00000067|0.00000924|0.00011700|-0.00003203|0.00011558|-0.00070240|-0.00053097|-0.00032225|0.00002916|0.00000689|0.00000279|-0.00001479|0.00002451|-0.00008188|-0.00058020|-0.00092928|0.00659469|0.00026561|-0.00058975|0.00537686|-0.04311757|-0.05184353|-0.04231631|-0.00049764|-0.00042814|0.00002919|0.00007184|-0.00003202|-0.00024347|-0.00000912|-0.00000179|-0.00000038|-0.00000052|0.00000385|0.00000348|0.00001821|0.00000532|-0.00001157|-0.00002986|-0.00002573|-0.00006459|0.00000048|0.00000361|-0.00000182|0.00000643|0.00000806|-0.00001924|-0.00000833|-0.00004128|-0.00004404|-0.00002003|-0.00003014|-0.00002778|0.00002050|0.00000602|0.00010617|-0.00000374|0.00000472|0.00003765|0.00104402|0.00100903|0.00001235|0.04340960|0.05323867|0.03071918|0.00153594|-0.00055135|0.00072022|0.00752459|-0.02334858|0.01215490|-0.00416795|-0.00323528|-0.00203383|-0.00113618|-0.00069880|-0.00022496|-0.00874033|0.00187873|0.00178812|0.00173639|0.00187544|0.00043400|-0.00101782|0.00062723|-0.00016458|-0.00868249|0.02975026|-0.01592168|0.00091420|0.00143645|-0.00077271|0.00002589|-0.00079913|0.00002475|-0.08128326|0.06204625|-0.03175422|0.00146912|-0.00135932|-0.00047654|0.00024358|0.00019151|-0.00018604|-0.00043871|0.00022524|-0.00016436|-0.00010338|0.00000100|-0.00000568|0.00098215|0.00112067|0.00013081|0.00057746|-0.00159884|0.00050005|-0.00000577|0.00020961|0.00009157|0.00017886|0.00011773|0.00000592|0.00010364|0.00014679|0.00000795|-0.00005488|-0.00002553|0.00000451|-0.00010588|0.00013522|-0.00007781|0.00122088|-0.00046447|0.00040436|-0.00007431|0.00000474|0.00001077|0.08845358|0.00138665|0.00053106|0.00023259|0.00748698|-0.02376577|0.01210051|-0.00505711|-0.00194143|-0.00305431|-0.00057108|0.00079566|0.00036887|0.00287804|0.00051669|-0.00075360|-0.00122769|-0.00010505|-0.00045926|0.00050912|-0.00036175|0.00005433|0.00106424|-0.00799593|0.00492378|-0.00111692|0.00021903|-0.00045561|0.00013802|0.00078305|0.00005922|0.06561558|-0.26795106|0.11076640|-0.00297024|0.00947807|-0.00552412|0.00002593|0.00039615|-0.00033511|-0.00102211|0.00082508|-0.00002628|-0.00003275|0.00007631|-0.00007664|0.00040522|0.00070107|-0.00072696|0.00049074|-0.00169391|0.00061487|-0.00001283|0.00025338|0.00015828|0.00006179|-0.00003964|-0.00010161|0.00004946|0.00000774|-0.00001473|0.00011853|0.00003864|0.00001883|0.00003542|-0.00000950|0.00006759|0.00031918|-0.00006853|-0.00075574|0.00001421|-0.00000555|0.00002726|-0.06841212|0.28673794|0.00022564|0.00054308|-0.00018819|0.00214823|-0.00862444|0.00463950|-0.00157895|-0.00123346|0.00010361|0.00001678|0.00036793|-0.00010935|0.00347683|-0.00021430|0.00019540|-0.00034273|-0.00082732|0.00013617|0.00034193|-0.00015519|0.00009000|0.00274434|-0.01063292|0.00632594|-0.00020950|0.00013002|0.00039053|0.00004338|-0.00023282|-0.00000895|-0.03129628|0.10308439|-0.11636656|-0.01114129|0.03618571|-0.02737876|0.00022133|-0.00015289|-0.00000917|0.00024712|-0.00002633|0.00014095|-0.00008467|-0.00001406|0.00002135|0.00063049|-0.00005902|0.00084448|0.00006037|-0.00045091|0.00027506|-0.00004637|-0.00031034|0.00021878|-0.00002734|-0.00003061|-0.00001322|-0.00000927|-0.00003482|-0.00003002|0.00003585|0.00001248|-0.00001388|0.00006223|-0.00004408|-0.00003953|-0.00099506|-0.00009997|0.00055537|-0.00001330|0.00001536|-0.00001727|0.03592342|-0.11532239|0.13697473|0.00043207|-0.00040454|-0.00000747|0.00015109|0.00036483|-0.00198571|0.00007765|0.00032395|-0.00019666|0.00016608|-0.00007279|-0.00013875|-0.00067580|-0.00020682|0.00024043|-0.00010526|0.00043295|0.00011877|0.00002477|-0.00034890|-0.00001084|0.00078525|0.00187887|0.00086645|-0.00084770|0.00042344|0.00135425|-0.00024170|-0.00022276|-0.00028612|-0.00356865|0.00289351|0.00635691|-0.14593027|-0.22160294|-0.06866986|-0.00014381|0.00008510|-0.00014549|-0.00018262|0.00018338|-0.00029095|0.00027675|-0.00015023|-0.00019404|-0.00031724|-0.00069580|-0.00034485|-0.00001983|-0.00008688|0.00011657|-0.00002982|0.00021258|0.00020973|-0.00001921|-0.00002564|-0.00000865|-0.00000118|-0.00004389|-0.00000233|-0.00011349|0.00001296|0.00000453|0.00000404|0.00006125|-0.00000353|-0.00002305|-0.00039643|-0.00008576|-0.00009717|-0.00010558|0.00007504|0.00003470|0.00021185|-0.00076915|0.13987323|-0.00000971|0.00014102|-0.00001687|0.00051174|0.00155102|-0.00066722|0.00008210|0.00017107|0.00043835|-0.00029780|-0.00007275|0.00007240|0.00070508|0.00006487|-0.00021583|-0.00000626|-0.00022614|-0.00020991|0.00002951|0.00018267|0.00002022|-0.00031671|-0.00094601|0.00031370|0.00013033|-0.00008600|0.00025248|-0.00031804|-0.00008963|0.00073040|-0.00375619|-0.00380583|0.00021496|-0.16884474|-0.35902381|-0.06063125|0.00003534|-0.00001031|0.00006870|0.00002592|-0.00004542|0.00006192|-0.00011516|-0.00002513|0.00009071|-0.00017493|-0.00003405|0.00017775|-0.00000129|0.00007927|-0.00016790|0.00001644|0.00000113|-0.00031598|0.00009065|0.00002182|0.00001087|0.00001879|0.00003328|0.00000115|0.00009571|0.00001069|-0.00000654|0.00000223|-0.00003211|0.00001549|-0.00024250|0.00022774|0.00017487|-0.00010914|0.00012604|0.00005552|0.00058031|0.00131955|0.00072900|0.19366405|0.38800653|0.00064378|0.00013752|-0.00005845|0.00204839|0.00080475|-0.00859145|0.00017462|0.00072623|-0.00054100|-0.00029627|-0.00024411|-0.00006156|-0.00039366|0.00051009|0.00031884|0.00050532|-0.00035452|-0.00001469|-0.00012846|0.00039129|-0.00002344|-0.00033189|-0.00128789|0.00000563|0.00093250|-0.00049571|-0.00066227|-0.00028672|0.00068183|0.00038218|-0.02518738|-0.04246816|-0.00876759|-0.04842515|-0.04582027|-0.08085697|-0.00003614|0.00002645|0.00014405|-0.00006045|0.00000985|0.00007328|-0.00027088|0.00008576|0.00028300|-0.00158517|-0.00176539|-0.00075519|0.00001612|-0.00001951|0.00026883|0.00002733|-0.00028459|0.00052612|-0.00004544|0.00003261|0.00009994|0.00009027|0.00003932|-0.00000067|0.00007049|-0.00002820|0.00004065|-0.00000631|-0.00002775|0.00000458|-0.00014639|0.00047271|0.00014162|0.00007271|0.00006693|0.00007940|-0.00041438|0.00078421|0.00153523|0.05787424|0.06723969|0.09037361|-0.00020088|-0.00016793|-0.00055230|-0.00029885|0.00089737|-0.00167529|0.00046129|0.00016588|-0.00186403|0.00144859|0.00088329|0.00045952|0.00011805|-0.00069659|-0.00042841|-0.00133336|0.00061425|0.00023889|0.00026748|-0.00075390|-0.00001070|0.00054873|-0.00096236|0.00146817|-0.00052717|-0.00032673|0.00010989|0.00002258|0.00023604|-0.00011533|-0.00159068|-0.00064861|0.00799443|-0.13067131|0.17143728|-0.13852878|-0.00003166|-0.00007982|0.00011580|0.00021088|-0.00014134|0.00039012|-0.00059308|0.00016207|0.00000453|-0.00006394|-0.00039402|0.00031847|-0.00017367|0.00007997|0.00062232|-0.00007914|-0.00129883|0.00087260|-0.00046791|-0.00016248|0.00002481|-0.00005655|-0.00010921|-0.00001309|-0.00014999|-0.00001194|0.00000895|-0.00000529|0.00001902|0.00003028|0.00026705|0.00007594|-0.00056926|-0.00001704|-0.00007283|-0.00001124|0.00080996|-0.00038809|0.00033596|0.01049117|-0.02179574|0.01515890|0.12161474|-0.00005969|-0.00013807|0.00006058|-0.00023635|0.00097953|0.00003082|-0.00014902|-0.00069996|-0.00065953|0.00042622|-0.00035496|-0.00075300|-0.00046095|-0.00060386|-0.00040715|0.00055876|0.00005697|0.00028313|-0.00023056|-0.00000289|0.00002952|0.00102609|0.00075716|-0.00112427|-0.00025286|-0.00024977|0.00010219|-0.00007764|0.00002513|-0.00017277|-0.00444533|0.01005704|-0.00328195|0.12774814|-0.29953825|0.14594423|-0.00006722|-0.00002495|-0.00000342|0.00012121|-0.00006125|0.00004363|-0.00002035|0.00010092|-0.00000185|0.00013727|-0.00027514|0.00018628|0.00004623|0.00010705|0.00032757|-0.00114182|-0.00187354|-0.00069100|-0.00015870|-0.00004293|0.00009795|0.00003632|-0.00010996|-0.00002588|-0.00014086|-0.00001845|0.00001044|-0.00001270|0.00000804|-0.00006423|0.00016363|-0.00029176|0.00007922|-0.00000989|-0.00002738|0.00002041|0.00014624|0.00125872|-0.00260212|0.02361448|-0.02753952|0.02078688|-0.14656067|0.31850205|0.00003679|-0.00002027|0.00009696|-0.00003146|0.00023598|0.00003267|-0.00024912|-0.00039693|-0.00041582|-0.00045206|-0.00114956|-0.00081120|-0.00197201|0.00045217|0.00248629|0.00273669|-0.00130984|0.00045426|-0.00071019|0.00116539|-0.00016881|-0.00023971|0.00212914|-0.00005545|0.00056774|0.00013720|-0.00021024|-0.00013665|-0.00018824|0.00004521|-0.02128203|0.03766371|-0.02305185|-0.09958648|0.13089372|-0.15622037|-0.00001025|0.00000418|0.00000898|0.00012722|-0.00004520|-0.00009346|0.00001973|-0.00002729|0.00002382|0.00015409|-0.00020204|0.00018224|0.00010301|0.00001776|0.00036917|-0.00009014|-0.00039664|0.00075554|0.00008398|0.00015942|0.00011944|0.00003202|0.00010666|0.00005353|-0.00006032|-0.00006288|0.00001373|-0.00001165|-0.00002326|-0.00006951|-0.00057661|0.00003271|0.00061910|0.00001395|0.00004685|0.00004336|-0.00000458|-0.00257039|-0.00827222|0.00592327|-0.00843669|0.00605633|0.11561478|-0.15821566|0.17800829| 165.12660 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| 56.0737 116.8924 143.0579 164.7663 212.8770 225.5396 250.2770 264.4440 298.4067 307.9785 353.8064 360.6192 377.1737 424.0494 471.1220 532.0154 608.5704 650.5235 692.6602 789.3651 800.5160 829.3213 854.0110 881.1439 903.1222 940.0807 980.6804 1009.1932 1051.1572 1075.7776 1102.1358 1117.0462 1136.3887 1191.3553 1198.1332 1234.3446 1263.1513 1266.5895 1298.1436 1335.2905 1370.7058 1420.1641 1436.7226 1454.0655 1462.2217 1475.4152 1521.8740 1542.5926 1545.8232 1548.7797 1566.3487 1572.6547 1597.3066 1638.5923 1641.4130 1647.6880 1657.9921 1847.6509 1877.6445 2408.4489 3152.2672 3158.4803 3168.5483 3202.3334 3210.4159 3237.6752 3245.2495 3254.7067 3301.2438 3343.6881 3345.5815 3659.9307 3740.7548 3765.6632 3823.9148 3.9015 3.7552 3.4804 3.5536 3.3769 1.2802 1.7391 2.7049 2.4312 1.3006 2.6177 2.6591 3.8995 3.5339 4.3701 4.7600 2.6586 2.6162 4.0058 2.9666 1.3028 1.3263 2.8809 2.2116 1.4833 2.6727 2.1946 1.5664 1.3561 2.3479 2.1725 1.9734 1.7347 1.7745 1.3396 1.7465 1.7408 2.1610 1.5420 2.3369 1.4435 1.1815 1.4576 1.5250 1.3907 1.3208 1.4813 1.5008 1.5140 1.4366 1.3956 1.3906 1.8150 1.0657 1.0728 1.0587 1.0924 1.1002 5.3211 5.6908 1.0830 1.0772 1.0822 1.0429 1.0593 1.0882 1.1034 1.1024 1.0993 1.0914 1.0901 1.1706 1.0506 1.0770 1.0933 0.0072 0.0302 0.0420 0.0568 0.0902 0.0384 0.0642 0.1114 0.1276 0.0727 0.1931 0.2037 0.3268 0.3744 0.5715 0.7938 0.5801 0.6523 1.1323 1.0891 0.4919 0.5375 1.2380 1.0117 0.7128 1.3917 1.2436 0.9399 0.8828 1.6010 1.5549 1.4508 1.3198 1.4839 1.1330 1.5678 1.6365 2.0426 1.5310 2.4549 1.5980 1.4040 1.7727 1.8997 1.7519 1.6940 2.0214 2.1041 2.1316 2.0303 2.0174 2.0264 2.7283 1.6860 1.7029 1.6935 1.7693 2.2128 11.0530 19.4492 6.3403 6.3312 6.4012 6.3010 6.4329 6.7211 6.8468 6.8806 7.0590 7.1895 7.1890 9.2389 8.6614 8.9981 9.4193 0.4879 0.0230 5.8069 1.7043 2.0772 6.4560 11.2810 6.0759 10.3901 36.4896 35.6211 14.6544 10.5354 1.7322 8.4072 0.6077 6.3789 2.2330 17.5071 28.9848 49.1508 46.3645 0.7612 52.1154 32.0766 16.9204 8.1403 151.0235 13.9821 25.1071 72.5666 22.9964 6.4209 10.6943 11.5965 67.6816 97.4916 22.3846 0.8781 50.5912 14.8872 17.3699 30.2649 72.6021 17.4204 11.8481 4.7052 20.4615 40.4696 12.6583 3.4288 10.3113 56.2831 1.9547 5.4644 3.9798 9.0142 33.1443 385.3144 1.4446 10.2186 15.9250 87.0458 32.6063 52.9233 31.4062 56.9356 65.5269 29.9267 27.4573 3.2366 63.5964 1.3898 0.6827 3.2584 1.5673 1.2802 1.5969 6.2585 3.2914 0.5159 1.6230 1.7686 0.7630 1.1421 1.7645 0.7396 7.2815 6.0242 4.4800 2.9089 3.6958 1.2584 3.4648 4.5878 2.3779 3.4037 12.6261 4.1919 3.5889 1.3847 5.3418 3.1786 1.4497 1.1835 8.3731 1.7593 7.4753 4.9327 0.9024 5.4025 4.5490 3.3409 5.0059 5.9230 4.3207 18.5023 4.6326 3.1994 6.7830 0.9243 6.9082 4.9906 3.8644 2.9952 0.4393 2.6517 13.4032 8.1430 18.2763 13.7958 5.9945 4.5107 40.4043 128.2467 16.0361 17.9341 157.5446 55.1332 132.8470 75.2922 62.9578 108.2359 46.5198 34.2882 66.4059 34.6937 61.3718 201.5891 41.1675 0.7419 0.7464 0.7499 0.7459 0.7088 0.7395 0.7498 0.6115 0.7299 0.7461 0.4406 0.6663 0.7232 0.2492 0.3265 0.6609 0.1792 0.7398 0.5243 0.2562 0.7481 0.5416 0.0807 0.5755 0.5374 0.2639 0.7485 0.4553 0.6031 0.5127 0.7450 0.6254 0.7495 0.7302 0.7331 0.4543 0.7493 0.5369 0.5512 0.7420 0.6756 0.7458 0.5775 0.6505 0.7071 0.5941 0.7471 0.4878 0.7269 0.5972 0.5030 0.5524 0.1794 0.6945 0.7492 0.7466 0.7499 0.6153 0.3378 0.2563 0.1266 0.2197 0.3849 0.0464 0.0756 0.2068 0.3278 0.7500 0.7373 0.5135 0.2309 0.2657 0.1103 0.3197 0.7007 0.8518 0.8548 0.8571 0.8544 0.8296 0.8502 0.8570 0.7589 0.8439 0.8546 0.6117 0.7997 0.8393 0.3990 0.4923 0.7958 0.3040 0.8505 0.6879 0.4079 0.8559 0.7026 0.1494 0.7306 0.6991 0.4176 0.8562 0.6257 0.7524 0.6779 0.8539 0.7695 0.8568 0.8441 0.8460 0.6248 0.8567 0.6987 0.7107 0.8519 0.8064 0.8544 0.7321 0.7882 0.8284 0.7453 0.8553 0.6557 0.8418 0.7478 0.6693 0.7117 0.3043 0.8197 0.8566 0.8549 0.8571 0.7618 0.5050 0.4081 0.2248 0.3602 0.5559 0.0887 0.1406 0.3427 0.4937 0.8571 0.8488 0.6786 0.3752 0.4198 0.1987 0.4845 0.8240 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 6 7 6 7 6 6 6 6 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 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 1428.03631 2200.73148 3258.91939 0.99979 -0.02024 -0.00419 0.02027 0.99977 0.00724 0.00404 -0.00733 0.99996 1 0.06065 0.03936 0.02658 1.26379 0.82006 0.55379 80.68 168.18 205.83 237.06 306.28 324.50 360.09 380.48 429.34 443.11 509.05 518.85 542.67 610.11 677.84 765.45 875.60 935.96 996.58 1135.72 1151.76 1193.21 1228.73 1267.77 1299.39 1352.57 1410.98 1452.00 1512.38 1547.80 1585.73 1607.18 1635.01 1714.09 1723.85 1775.95 1817.39 1822.34 1867.74 1921.19 1972.14 2043.30 2067.12 2092.08 2103.81 2122.79 2189.64 2219.45 2224.09 2228.35 2253.63 2262.70 2298.17 2357.57 2361.63 2370.66 2385.48 2658.36 2701.51 3465.22 4535.41 4544.35 4558.83 4607.44 4619.07 4658.29 4669.19 4682.80 4749.75 4810.82 4813.55 5265.82 5382.11 5417.95 5501.76 0.254272 0.265758 0.266702 0.217402 -512.551288 -512.539802 -512.538858 -512.588158 1.653530D-04 MUNgauss RevisionA2.1 retrievium 24-Nov-2022 GDB_13 Smiles: CC1CCN(C=N)C(C#C)C1N RHF 6-31G(d) (6D,10F) C1 165.126598 |X|Y|Z| 27.525106 34.776232 13.283562 23.340421 6 6 7 5 1 |36.858105| |12.472922|36.858105| |7.495326|12.447704|36.858105| |4.890682|7.530951|12.496890|36.858105| |4.396747|6.568607|7.729417|13.044630|53.358707| |3.339183|4.456566|5.149912|7.880335|18.835522|36.858105| |2.946234|3.769374|4.576594|6.939469|11.181467|15.141862|53.358707| |4.889315|7.574245|6.549571|7.793406|17.727674|7.738748|7.205095|36.858105| |3.798135|4.992542|4.435919|5.057900|10.549276|6.714516|6.345302|12.903287|36.858105| |3.174056|3.874677|3.497792|3.878333|7.327170|5.251286|5.362988|7.155583|16.047304|36.858105| |7.478001|12.394434|7.590328|6.521826|10.531582|5.119127|5.425992|12.274879|7.703894|5.475648|36.858105| |6.439488|7.711291|6.269459|5.293122|8.633442|4.662331|5.059824|7.587018|6.466261|5.157030|13.135725|53.358707| |17.535183|8.815130|6.830743|4.532291|5.247075|3.025759|3.753973|4.077938|3.221217|2.738881|5.463614|6.524593|0.500000| |17.537893|8.784261|5.464484|4.059690|5.250911|3.022894|3.612351|4.538855|3.711522|3.172131|6.853263|7.948093|0.301522|0.500000| |17.602578|8.789995|6.777514|4.513151|5.696715|3.244425|3.913394|4.473064|3.631578|3.092547|6.721215|9.673152|0.300471|0.302082|0.500000| |8.936096|17.470861|8.951091|6.932151|8.047077|4.214680|4.936187|7.090400|4.737269|3.713811|8.977393|7.686034|0.215316|0.213450|0.173848|0.500000| |6.850781|8.826759|17.532464|8.913645|7.654557|4.215757|5.433778|4.924935|3.592296|2.943447|5.512540|6.429844|0.204563|0.140295|0.167944|0.215985|0.500000| |6.876408|8.827283|17.532493|8.865247|9.296659|4.873871|5.963420|5.647884|4.169643|3.380645|6.777316|9.319548|0.170171|0.140255|0.203393|0.174389|0.303637|0.500000| |4.487751|6.688520|8.830284|17.460111|12.368981|6.664233|8.440997|6.946378|4.661118|3.639937|5.630558|5.943527|0.119831|0.107200|0.110324|0.201402|0.218304|0.173720|0.500000| |4.062034|5.497438|8.824429|17.686314|12.583094|7.589890|10.998925|5.686756|4.217681|3.406999|4.923053|6.031002|0.108039|0.094784|0.108580|0.140886|0.210401|0.217412|0.303436|0.500000| |3.063033|3.949480|4.228276|5.668632|12.612486|17.667388|12.586507|7.305412|8.028502|6.657435|4.825311|6.162612|0.076347|0.079157|0.083286|0.104294|0.097740|0.113479|0.140682|0.148395|0.500000| |2.573871|3.183126|3.702619|5.093452|8.222550|10.234851|25.871877|4.427459|4.227139|3.770694|3.420205|4.442883|0.067127|0.065499|0.070280|0.085646|0.091686|0.100309|0.131621|0.158703|0.240232|0.500000| |4.611478|7.006404|5.874905|7.098596|12.375051|6.464165|6.593396|17.461803|9.186083|6.053729|8.837186|7.586082|0.111032|0.122235|0.111900|0.217609|0.132182|0.133220|0.209404|0.144580|0.168217|0.114155|0.500000| |2.746359|3.214079|2.938104|3.204270|5.704587|4.253297|4.608330|5.121978|8.487616|18.016845|4.277608|5.730370|0.066811|0.077067|0.075093|0.086146|0.070380|0.079924|0.084448|0.080420|0.147824|0.092830|0.127374|0.500000| |6.857610|8.894653|5.541248|4.916654|7.684206|4.192809|4.578579|8.911871|7.150674|5.499380|17.559384|12.630578|0.141277|0.205857|0.165820|0.220582|0.124093|0.139024|0.127531|0.108506|0.114754|0.082643|0.218811|0.122150|0.500000| |5.015407|5.711934|4.784085|4.382304|7.460095|4.377865|4.727975|6.813349|7.056221|6.054409|9.388371|25.899957|0.108969|0.135800|0.150365|0.128568|0.105799|0.141511|0.104345|0.105057|0.125392|0.087164|0.142132|0.138329|0.232925|0.500000| |5.531505|6.803197|6.731478|5.910197|9.878629|5.335992|5.775050|7.198226|6.079097|4.873281|9.371277|25.885309|0.122108|0.132885|0.172847|0.140868|0.137371|0.226251|0.127436|0.142498|0.139793|0.102074|0.144562|0.111451|0.183025|0.328948|0.500000| 512.312362 -2658.493632 974.410819 -72.041899 -1243.812350 731.006789 -512.805560 2.000963 3BF1B578BFFFFFFE 419A62AB47FFFFFD 4132C351FA4FA4F8 409E000000000000 C017FFFFFFFFFFFF 40E6863FFFFFFFFF