Version2.5 2022-11-16T18:15:57Z 10.1021/ja902302h Gaussian16 RevisionB.01 SBUNGAY 04-Nov-2022 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) GDB_13 Smiles: CC1NC(=N)C(=C)CC=C1C#C RHF 6-31G(d) (6D,7F) CC1NC(=N)C(=C)CC=C1C#C C1[X(C10H12N2)] 66 C1 204 CC1NC(=N)C(=C)CC=C1C#C C#CC1=CCC(=C)C(=N)NC1C CC1NC(=N)C(=C)CC=C1C#C InChIKey=GFUWTSGITNLMSW-UHFFFAOYSA-N InChI=1S/C10H12N2/c1-4-9-6-5-7(2)10(11)12-8(9)3/h1,6,8H,2,5H2,3H3,(H2,11,12) InChI=1/C10H12N2/c1-4-9-6-5-7(2)10(11)12-8(9)3/h1,6,8H,2,5H2,3H3,(H2,11,12)/f/h11-12H CC1NC(=N)C(=C)CC=C1C#C C01[X(C10H12N2)] 66 C1 204 CC1NC(=N)C(=C)CC=C1C#C CC[C@H]1CC[C@@H]([C@@H](N[C@@H]1C)N)C CC[C@H]1CC[C@H](C)[C@H](N)N[C@@H]1C InChIKey=KUJMWIJUFPJQAQ-QCLAVDOMSA-N InChI=1S/C10H22N2/c1-4-9-6-5-7(2)10(11)12-8(9)3/h7-10,12H,4-6,11H2,1-3H3/t7-,8+,9-,10+/m0/s1 InChI=1/C10H22N2/c1-4-9-6-5-7(2)10(11)12-8(9)3/h7-10,12H,4-6,11H2,1-3H3/t7-,8+,9-,10+/m0/s1 4.939675584360D+02 -2.478783134180D+03 662.9778779557 -494.4470761 1-A 2126.4570 43 161 204 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -15.57454 -15.52353 -11.30838 -11.28489 -11.25666 -11.24662 -11.24094 -11.24028 -11.23347 -11.22733 -11.22647 -11.22332 -1.28071 -1.17337 -1.11715 -1.07850 -1.01510 -1.01209 -0.94494 -0.86703 -0.85631 -0.78604 -0.72523 -0.71455 -0.69339 -0.67811 -0.64592 -0.62746 -0.62081 -0.58984 -0.57011 -0.55331 -0.54059 -0.53691 -0.52373 -0.49646 -0.47482 -0.44506 -0.41334 -0.39919 -0.37540 -0.34621 -0.32904 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.13339 0.14664 0.21696 0.22253 0.23216 0.25606 0.26442 0.27172 0.28134 0.29364 0.30423 0.30938 0.31864 0.32754 0.33553 0.34307 0.35850 0.39547 0.41165 0.42710 0.46679 0.46806 0.51318 0.53034 0.54468 0.56039 0.59965 0.63897 0.64746 0.69519 0.70575 0.72115 0.75069 0.76224 0.77004 0.78291 0.79483 0.81161 0.82889 0.85163 0.85970 0.87322 0.89954 0.90616 0.91944 0.92439 0.92688 0.93700 0.95494 0.97854 1.00174 1.01099 1.02714 1.05390 1.06426 1.08389 1.09319 1.09815 1.11434 1.12976 1.13887 1.15360 1.15759 1.17303 1.17862 1.19098 1.19552 1.21544 1.23329 1.24626 1.25779 1.26435 1.27527 1.31000 1.35067 1.37019 1.40758 1.43083 1.45004 1.51069 1.54906 1.57161 1.58831 1.60592 1.64816 1.69030 1.70018 1.77419 1.78306 1.81766 1.83081 1.83741 1.85694 1.89005 1.90877 1.94396 1.99108 1.99978 2.02235 2.04542 2.05727 2.07901 2.08647 2.10675 2.16267 2.18230 2.21919 2.24002 2.25792 2.27777 2.28026 2.29546 2.34107 2.35045 2.37723 2.40848 2.43476 2.46325 2.48130 2.51023 2.54940 2.56786 2.61122 2.65272 2.66224 2.67434 2.69627 2.72692 2.75145 2.77541 2.80945 2.84142 2.87400 2.88930 2.93228 2.94607 2.98084 2.99694 3.00497 3.04673 3.11326 3.15826 3.20158 3.24075 3.40012 3.43565 3.48352 3.49361 3.85468 4.34094 4.45645 4.56324 4.57784 4.62351 4.65093 4.68570 4.74621 4.88413 4.94078 5.01853 5.25668 12.58326 2.3975 -0.4256 -0.4704 2.4800 |XX|YY|ZZ|XY|XZ|YZ| -79.3432 -61.7900 -72.4701 -2.5675 0.6365 0.0343 |XX|YY|ZZ|XY|XZ|YZ| -8.1421 9.4111 -1.2690 -2.5675 0.6365 0.0343 |XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| 87.5075 -16.2033 0.2538 -13.7633 12.3773 -14.1487 -8.7274 -1.9667 6.3284 4.8011 |XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY| -1801.7400 -727.2402 -211.8728 8.5624 -8.8588 20.9434 -12.2970 4.6768 0.8059 -439.9226 -355.4319 -165.0858 -14.5027 -0.1595 -6.8722 0 |0.65991546|0.04497599|0.57568022|0.02158550|-0.02421640|0.65286403|-0.12041968|0.05500101|0.02130147|0.55261765|0.04093065|-0.18171684|-0.03492782|-0.00569475|0.57400373|0.01442571|-0.03205355|-0.10873500|-0.01016598|0.02372442|0.64424255|-0.03854468|0.00155071|-0.01490212|-0.19876191|0.01796225|-0.07719001|0.69402751|0.03787200|-0.00012909|0.01734439|-0.02583111|-0.11845925|-0.03635038|0.00699536|0.75402008|0.00959580|0.00189578|0.00515737|-0.05618727|-0.02608508|-0.10908114|0.04286837|0.25463159|0.24431053|-0.00098493|-0.00026652|-0.00086653|-0.04015003|0.00754647|0.01747758|-0.23803905|0.07839912|0.03704047|0.97870811|-0.00215758|-0.00160841|-0.00167624|0.01260430|0.00919610|0.01352461|0.04264744|-0.19089649|-0.06242317|0.19010315|0.71425432|-0.00698687|-0.00152807|-0.00387635|-0.00005844|0.02134164|0.00754238|0.06131583|-0.09148425|-0.11729089|-0.10671107|0.13179995|0.32898154|-0.00229512|-0.00136664|-0.00160100|0.01141214|0.00467434|0.00738522|-0.08497818|-0.00390367|0.03162534|-0.60909816|-0.17451604|0.05431247|0.74574984|0.00055990|0.00021897|0.00036956|-0.00026158|-0.00024439|-0.00537299|0.02478023|0.02336470|-0.00762484|-0.24508051|-0.22377903|0.00403093|0.24760631|0.65571808|0.00228197|0.00084415|0.00127885|-0.00113405|-0.00602115|-0.00218981|0.03747300|0.00167943|0.03375072|0.03613058|-0.00766688|-0.09388247|-0.06967811|0.12742343|0.13957509|-0.00043455|0.00006062|0.00039549|0.00173334|0.00238599|0.00057417|0.00926866|0.03408192|0.01409436|-0.10931140|-0.03255504|0.00155425|-0.00969792|-0.04224582|-0.01141241|0.41436390|-0.00031843|-0.00005315|-0.00029327|0.00181436|0.00018587|-0.00012772|-0.00112260|-0.02147447|-0.01212159|-0.02283410|-0.24138990|-0.04420704|-0.02221881|-0.01889856|-0.00152492|0.04005304|0.63508507|0.00055961|0.00020263|-0.00010250|-0.00035550|-0.00192320|0.00046540|0.00376976|-0.02361776|-0.00283384|-0.00093391|-0.03194881|-0.11388405|-0.00489617|0.00089775|-0.00024498|-0.28617622|0.18935441|0.77929978|0.00033831|0.00002502|0.00015342|-0.00145474|-0.00063702|-0.00060981|0.00074594|-0.00324442|-0.00096444|0.01187784|0.00585259|-0.00467648|-0.00426030|-0.00452647|-0.00098472|-0.15832094|0.04985981|0.18761035|0.37399183|0.00039817|0.00010924|0.00012736|-0.00158671|-0.00067415|-0.00046169|-0.00152786|-0.00638327|-0.00155698|0.01280740|-0.00979652|-0.03551353|-0.00048422|-0.00159589|-0.00266485|0.05396851|-0.20152618|-0.17733980|0.11538964|0.72478772|-0.00001519|-0.00017768|0.00048051|0.00016341|0.00076336|-0.00088019|-0.00118269|0.00005392|0.00102840|-0.00022492|-0.01399225|-0.00744985|0.00521196|0.00181281|-0.00210279|0.19135636|-0.17426506|-0.49678516|-0.31968263|0.16672703|0.79022844|-0.00058571|-0.00022816|0.00015744|0.00107194|-0.00071369|-0.00209766|-0.00054945|0.00120406|0.00091107|-0.00066661|-0.00972854|0.00304159|0.00141066|0.00075281|0.00109056|-0.13070136|-0.03681193|0.05553633|-0.00235248|-0.00957782|0.01286014|0.54928151|0.00030143|0.00003742|-0.00002247|-0.00031550|0.00034156|-0.00138142|0.00078229|0.00030646|0.00004009|-0.02155776|-0.01511187|0.02424649|-0.00063343|-0.00522954|-0.00083986|-0.04443768|-0.15262172|0.04877343|0.00642332|0.01411304|-0.00651430|0.01305164|0.64748450|-0.00000837|-0.00036158|0.00022544|-0.00113709|-0.00229694|-0.00705265|0.00035400|-0.00084725|-0.00167527|-0.00460582|0.00052214|0.01249948|-0.00249246|-0.00449185|-0.00096148|0.05452676|0.04330885|-0.15356729|0.02302333|0.01820312|-0.01972165|0.00862297|0.02942654|0.60017171|-0.00422547|-0.00320952|0.00224889|0.02167683|-0.01495178|0.00367260|-0.00202288|0.00175000|-0.00007690|0.00190403|-0.00414289|-0.00120710|-0.00070445|0.00143251|0.00035237|-0.02178242|-0.00055564|0.00668890|0.00113854|0.00013236|-0.00282406|-0.23708801|0.03710312|0.01798405|0.69732442|-0.00337020|-0.00149521|0.00195067|0.01012267|-0.02475098|0.00751124|0.00229702|0.00101588|-0.00022407|-0.00071521|0.00057227|0.00088392|0.00045910|-0.00020287|0.00013573|-0.02250844|0.01235735|-0.00196723|-0.00067787|-0.00240090|0.00177499|0.02494055|-0.11633995|0.00398534|-0.10748785|0.89281385|0.00170535|0.00044096|-0.00086609|-0.00509055|0.01183332|0.00345739|0.00019977|0.00068067|0.00144157|-0.00082048|-0.00038439|-0.00031930|0.00046663|0.00027722|0.00014897|0.02547059|-0.00985534|-0.00174461|0.00153947|0.00282690|-0.00092639|0.01188376|0.00173235|-0.08706485|-0.03677944|-0.19022917|0.24306909|0.01498946|0.01190103|-0.00875896|-0.12387395|-0.03457167|0.01839555|-0.02546415|-0.03262494|0.00160962|-0.00250368|-0.00095613|0.00174656|-0.00061470|0.00029499|-0.00032822|0.00191488|0.00172772|-0.00073923|-0.00022616|-0.00061547|0.00083840|-0.00916772|0.03054326|-0.00974840|-0.21676652|0.18208195|-0.03201809|0.69397360|-0.01456704|-0.03064534|0.01230720|-0.04162896|-0.17911000|0.03126005|-0.00475773|0.00102798|-0.00111483|-0.00135381|0.00109924|0.00090618|0.00106003|-0.00003032|-0.00044764|-0.00014350|0.00004494|0.00040567|0.00015878|0.00005106|0.00001057|0.00701923|0.00086066|0.00237046|0.17892724|-0.51122565|0.10207934|-0.14499409|0.81881869|-0.00693249|-0.00624712|0.00492405|0.02372051|0.03620607|-0.10452343|-0.00913825|-0.01428630|0.00783143|0.00124122|-0.00176681|-0.00063593|-0.00139350|0.00058562|0.00027040|-0.00100510|-0.00011164|0.00071907|0.00010236|0.00009556|0.00023319|0.00016442|-0.00041511|0.00838860|-0.03363787|0.10235400|-0.09628273|-0.00575271|-0.16366253|0.23989386|0.00052105|-0.00161436|0.00036079|-0.02212314|-0.00562853|0.00283593|-0.00076218|-0.00155436|0.00015879|-0.00006797|-0.00066353|-0.00027950|0.00001699|0.00033676|0.00004931|-0.00008664|-0.00081520|0.00001295|0.00022013|0.00036402|-0.00003867|0.00208770|0.00147122|0.00254757|-0.03717170|0.02374583|-0.00258811|-0.31755393|-0.00191723|0.01991709|1.63898841|-0.00268484|-0.00250499|0.00076101|-0.02483206|0.00855992|0.00017105|-0.00483698|-0.00438376|0.00046731|0.00157800|-0.00202493|-0.00107780|-0.00124105|0.00051559|0.00023578|-0.00084547|-0.00014987|0.00049048|0.00012243|0.00024092|-0.00028387|0.00028956|-0.00267571|0.00408595|0.04368936|-0.00348750|-0.00139197|0.00340799|-0.09036471|0.00673265|-0.06459049|0.14628243|-0.00015527|0.00020231|0.00101290|0.00938688|-0.00154958|0.00313476|-0.00038318|0.00013268|-0.00045084|-0.00023099|0.00047749|0.00045362|0.00010889|-0.00018569|-0.00017158|-0.00085770|0.00026684|0.00010100|-0.00017629|-0.00021612|0.00009423|0.00291692|0.00496314|0.01244436|-0.00727701|-0.00037614|0.00864761|0.01763852|0.00829621|-0.07389208|-0.08416728|-0.00581476|0.10693511|-0.00059660|0.00106650|-0.00003606|0.00059753|0.00618239|-0.00209012|-0.00131052|-0.00139065|0.00032784|0.00122882|-0.00004232|-0.00028923|-0.00097902|-0.00025921|0.00009408|0.00043050|0.00082036|-0.00035203|-0.00021207|-0.00042986|0.00016171|0.00032865|0.00110267|-0.00163457|0.00053358|-0.01135593|0.00340761|-0.01358595|0.00899877|-0.00063189|-1.26580544|0.04914224|0.06448567|1.74037057|0.00043476|-0.00171598|0.00095568|0.00099419|-0.00263405|0.00046995|0.00003878|0.00090035|-0.00004304|0.00010336|-0.00013011|-0.00014421|0.00001730|0.00008034|0.00003639|0.00009449|-0.00013430|0.00003638|0.00003289|0.00007240|-0.00001274|0.00015734|0.00031538|-0.00036694|-0.00061439|-0.00009843|0.00039494|0.00286993|0.00952501|0.00033320|0.05033811|-0.04972052|-0.00337830|-0.06932279|0.07472949|-0.00038320|0.00012230|-0.00040241|-0.00033241|-0.00001445|0.00055039|0.00021886|0.00019884|0.00021728|-0.00009158|-0.00001343|-0.00005327|0.00008808|0.00000946|0.00004292|0.00008658|-0.00001875|-0.00004215|0.00003907|-0.00000256|0.00004607|-0.00028952|-0.00048293|-0.00081573|0.00010234|0.00121140|0.00055659|0.00131839|-0.00014480|0.01040895|0.06434402|-0.00326042|-0.05385665|-0.08952235|0.00213690|0.07238714|-0.13436671|-0.11732918|0.04831216|0.00794458|0.01724935|-0.00694653|0.00181757|0.00085285|-0.00024063|-0.00002325|0.00040862|0.00032289|0.00021435|-0.00007541|-0.00013409|0.00000471|-0.00008711|-0.00003203|-0.00000955|-0.00000419|0.00000135|0.00008680|-0.00005535|0.00009191|0.00083023|0.00070507|-0.00033479|-0.00288867|0.00279690|0.00107680|-0.00092064|-0.00047576|0.00008875|0.00059857|-0.00077243|0.00000921|0.14315444|-0.11316486|-0.23554419|0.07381197|-0.01877286|-0.02565977|0.01214728|-0.00249732|0.00209681|-0.00107002|0.00072852|-0.00007967|-0.00029428|-0.00002948|0.00014674|-0.00008191|-0.00025441|-0.00013988|0.00025128|0.00011524|0.00018879|-0.00002573|-0.00025833|0.00012615|-0.00000368|-0.00188039|-0.00107222|0.00037173|0.00545517|-0.00415780|-0.00293262|0.00069872|0.00006839|0.00002475|-0.00033335|0.00016551|0.00002754|0.12557504|0.25681156|0.04898275|0.07587242|-0.09312218|-0.00619769|-0.00951863|0.00331634|-0.00053415|0.00037915|0.00006691|-0.00023693|-0.00011126|-0.00002875|0.00004507|0.00000831|-0.00002788|0.00008505|0.00004335|-0.00002182|-0.00003217|-0.00004913|-0.00001320|-0.00003481|0.00002949|-0.00004791|-0.00038958|-0.00058432|0.00045556|0.00160206|-0.00173741|0.00030306|0.00020852|-0.00012323|-0.00008010|-0.00018272|-0.00003146|0.00021683|-0.05472176|-0.08190644|0.09178984|-0.31037418|0.00942108|-0.11247732|-0.01366610|-0.00269386|-0.00798659|-0.00277513|0.00403065|0.00191401|0.00097817|-0.00083605|-0.00150134|-0.00078131|0.00015595|0.00041191|-0.00013388|-0.00005300|0.00013576|0.00008639|0.00011366|-0.00000914|-0.00001874|-0.00003064|0.00008629|0.00006599|0.00018220|-0.00001921|-0.00046097|-0.00033317|0.00028853|-0.00105072|-0.00191404|0.00044073|0.00024516|-0.00175682|0.00035071|-0.01510994|0.00024954|-0.00683875|0.33534543|0.00359918|-0.06011049|-0.00008138|0.02759114|0.00327462|0.01605227|0.00498097|-0.00698143|-0.00295609|0.00024207|0.00152648|0.00200661|0.00093479|-0.00031200|-0.00073170|-0.00003392|0.00015045|-0.00009290|-0.00008157|-0.00009897|0.00002437|0.00005354|0.00002813|-0.00013447|-0.00006133|-0.00000241|0.00000544|0.00032855|0.00108308|0.00030665|-0.00032952|-0.00262148|0.00068691|-0.00060966|-0.00023014|-0.00009667|-0.02755988|0.00224692|-0.01389886|-0.00623235|0.06150030|-0.11280863|0.00258434|-0.10914797|0.01063982|0.00112712|0.00387435|0.00196446|-0.00277004|0.00091308|0.00022068|-0.00002602|0.00107411|0.00015707|0.00006996|-0.00032172|-0.00007494|0.00000591|-0.00003074|-0.00001243|0.00000581|-0.00003172|0.00001229|-0.00000261|0.00003152|0.00028472|0.00005545|-0.00008672|-0.00066655|0.00039278|0.00021306|-0.00082331|0.00004349|0.00017931|0.00051211|-0.00073789|-0.00006712|0.01320705|-0.00168567|0.00614936|0.12228698|-0.00082687|0.11060995|-0.06238534|0.00033107|0.02396131|-0.00209050|0.00091070|0.01930562|0.00208603|-0.00065028|-0.00031594|-0.00049402|0.00025883|0.00029014|0.00030671|-0.00007002|-0.00012103|0.00001250|0.00007760|-0.00000003|-0.00004986|-0.00005986|-0.00009415|0.00004659|-0.00004747|-0.00001580|-0.00003317|0.00014518|-0.00010422|0.00031451|-0.00120131|-0.00079093|0.00011335|0.00015853|-0.00009095|-0.00004082|0.00006699|0.00029288|-0.00152501|0.00257192|0.02006151|0.00642432|-0.00206186|-0.03535600|0.05936356|0.00071075|-0.06095540|-0.01322178|0.00249347|-0.00197030|-0.03608969|-0.00225357|0.00143912|0.00106550|-0.00009672|-0.00025498|-0.00007162|-0.00008877|0.00006968|-0.00001981|0.00017401|0.00000929|-0.00009447|0.00001829|-0.00003054|0.00019089|0.00000262|0.00006394|-0.00015557|0.00025859|-0.00020043|0.00033244|-0.00025288|0.00247548|-0.00045494|-0.00028936|-0.00032847|-0.00017190|-0.00014397|0.00005491|0.00013375|-0.00090927|0.00358089|0.03063702|-0.00043863|-0.00045178|0.00067384|-0.00339533|0.06179693|0.02497334|-0.01660917|-0.34391415|-0.00034170|-0.00022488|-0.00948494|-0.00033794|0.00034383|0.00173831|0.00019887|0.00020287|0.00035998|0.00007489|-0.00001575|-0.00007589|-0.00008030|0.00005436|-0.00003917|0.00001833|0.00001709|0.00005672|-0.00003635|0.00008260|-0.00000235|-0.00030463|-0.00039684|0.00023656|0.00044926|0.00045823|0.00051153|0.00013406|-0.00029508|0.00012527|-0.00028090|0.00020596|0.00035196|0.00060056|-0.00011093|-0.00937973|0.00179759|-0.00024907|-0.01300191|-0.02862747|0.01858503|0.37203645|-0.00122899|0.00133692|0.02104541|-0.06254030|0.00142725|0.03057531|-0.01527548|-0.00204074|-0.04241278|0.00670658|-0.00325503|-0.00424947|-0.00211654|-0.00029788|0.00128796|-0.00035729|-0.00030902|0.00001700|0.00013646|0.00044429|0.00023144|0.00004142|0.00020217|0.00076013|-0.00198502|0.00005354|-0.00013600|0.00200221|-0.00278519|0.01793815|0.00049362|-0.00030149|-0.00054475|-0.00030457|0.00008786|-0.00025307|0.00071554|-0.00037698|-0.00100588|0.00051945|-0.00077906|0.00002687|-0.00127095|0.00412299|0.00095510|0.07549306|0.00371020|-0.00116532|-0.03462506|-0.00030682|-0.06112496|-0.00157359|-0.00071795|0.00327047|-0.00266842|0.00128019|-0.00008671|0.00043291|-0.00030046|-0.00002149|0.00013007|-0.00017532|-0.00017566|0.00051245|0.00010831|0.00007391|-0.00069052|0.00018554|0.00003513|0.00182298|-0.00271389|-0.00019795|-0.00025879|-0.00529384|-0.00388823|0.03440412|0.00069419|-0.00135010|0.00028268|-0.00090096|0.00030288|-0.00024731|-0.00118940|0.00140553|0.00036867|-0.00028624|0.00145361|0.00090821|0.00346854|-0.00569696|-0.00188178|0.00159601|0.06830872|0.00146900|-0.00060250|-0.00817960|0.02383404|-0.00562958|-0.32952890|-0.01211681|-0.00168708|-0.00986239|0.00329730|-0.00349042|-0.00113950|-0.00223618|0.00056441|0.00053124|0.00026807|0.00017290|-0.00036883|0.00023782|-0.00000842|0.00058419|-0.00030110|0.00022469|-0.00046885|0.00142413|-0.00032558|0.00101144|0.00429778|0.00393305|-0.01025366|-0.00027272|0.00132684|-0.00071415|0.00073769|-0.00011716|0.00010378|-0.00058049|-0.00038588|0.00054460|0.00064296|-0.00008701|0.00044195|0.00080099|-0.00164801|0.00117323|-0.02043579|0.00628016|0.35742538|-0.00050694|-0.00230549|-0.00059627|-0.00656813|-0.03486922|-0.00693865|-0.10488437|-0.09274428|-0.03651226|0.01319190|0.03688687|0.00988663|0.00114747|0.00015571|-0.00141458|-0.00522850|0.00152155|0.00288521|0.00064594|0.00154264|0.00004741|-0.00024597|-0.00021754|0.00016564|-0.00037927|0.00037399|0.00024787|-0.00493807|0.00108927|-0.00317315|-0.00038146|-0.00155530|0.00035486|-0.00061388|0.00027588|0.00006117|-0.00045334|0.00146001|-0.00085653|0.00051006|0.00035897|0.00034095|-0.00066859|0.00018165|0.00079930|-0.00169427|0.00000719|-0.00092019|0.11281686|0.00370319|0.00205106|0.00076290|0.00288039|0.00122123|0.00534501|-0.09016688|-0.44259522|-0.14285289|-0.01081813|-0.02128525|-0.00139688|-0.00091658|0.00386862|0.00187027|0.00370479|0.00106558|-0.00302647|-0.00032185|-0.00129910|0.00008736|-0.00000304|0.00057809|-0.00020021|0.00009166|0.00005524|0.00017105|-0.00060538|-0.00009444|-0.00060051|0.00000449|0.00002291|-0.00014555|-0.00007860|0.00003193|-0.00002758|0.00060345|0.00021818|0.00087018|0.00033147|-0.00037176|0.00003766|-0.00048772|0.00046067|0.00001776|0.00118300|-0.00012926|0.00101282|0.08950824|0.45479894|0.00096511|-0.00135488|0.00327633|-0.00549093|-0.01256265|-0.00795202|-0.02913623|-0.10589630|-0.04516022|-0.00083381|-0.02336918|-0.00759361|-0.00496596|0.00321708|-0.00225541|0.00326145|-0.00102744|0.00252127|-0.00006209|0.00008389|0.00038789|-0.00016367|-0.00058157|0.00029327|0.00002332|0.00005674|-0.00004482|0.00164933|0.00110385|-0.00055328|0.00002060|0.00047300|0.00013463|0.00037996|-0.00004413|-0.00008506|-0.00046235|0.00133217|-0.00011720|0.00061468|-0.00015042|-0.00088436|0.00076355|0.00030487|-0.00059791|-0.00250264|-0.00052748|-0.00193275|0.03427760|0.13819555|0.05944170|0.00021636|0.00013196|0.00024675|-0.00118358|-0.00005428|-0.00125361|0.00421911|0.00017819|-0.00326298|-0.01411293|-0.05758893|-0.01487661|-0.04586604|0.01753218|0.00781608|-0.00404945|-0.00064048|0.00534883|0.00062930|0.00057087|0.00000403|0.00018419|-0.00148299|-0.00076675|0.00028847|0.00001346|-0.00006343|0.00016807|-0.00009825|0.00023292|0.00001877|0.00023752|-0.00004439|0.00015567|0.00000957|-0.00001763|-0.00007525|0.00009767|-0.00003329|0.00014276|-0.00010750|0.00000415|-0.00004201|0.00001597|-0.00001867|0.00018081|0.00004588|0.00019601|-0.00213873|0.00134496|0.00192592|0.06152163|0.00007696|-0.00000793|0.00005477|-0.00023012|0.00028068|-0.00041056|0.00557022|0.00283511|0.00391099|0.01010359|-0.02320991|-0.01100002|-0.04870435|-0.43156882|-0.11106147|-0.00510986|0.00210571|-0.00399151|-0.00071865|-0.00065915|0.00071114|0.00003560|-0.00013081|-0.00066774|0.00022353|-0.00009388|0.00009633|0.00013741|-0.00006721|0.00019524|0.00007355|0.00013006|-0.00004250|-0.00003840|0.00001465|0.00001065|0.00000278|0.00003959|-0.00001997|0.00004247|-0.00003401|-0.00002762|-0.00001986|-0.00001279|-0.00000721|0.00019096|-0.00003774|0.00010103|-0.00174581|0.00140032|0.00070359|0.03987084|0.44921975|-0.00051760|-0.00020045|-0.00017609|-0.00100123|0.00101115|-0.00012889|-0.00138321|0.00390599|-0.01061186|0.00828639|0.00056870|0.00306729|-0.01190966|-0.12342942|-0.07601597|0.00169212|-0.00310922|0.01664398|0.00105454|0.00196258|-0.00021842|-0.00072246|-0.00197637|-0.00134641|0.00022590|-0.00038990|0.00006572|0.00010665|0.00011274|0.00003426|0.00007036|0.00008069|0.00002324|-0.00008131|0.00000886|-0.00001951|0.00000150|0.00008119|0.00001686|-0.00008186|0.00012997|0.00006645|0.00004725|0.00003010|-0.00000055|-0.00019359|0.00000406|-0.00000174|0.00089940|0.00012568|0.00124512|0.00476874|0.12104059|0.06679310|-0.00002536|0.00000707|-0.00005290|0.00033040|0.00008225|0.00034116|0.00007161|0.00110694|0.00055248|-0.00753017|0.00028783|-0.00407904|0.00089641|-0.00111470|-0.00141449|-0.00105613|-0.00798748|0.00837452|-0.15618788|-0.10591687|0.11892593|0.00999761|-0.00142203|0.00679979|0.00106761|0.00089650|-0.00156686|-0.00008679|0.00002689|-0.00006694|0.00002202|0.00002821|0.00007207|-0.00003278|-0.00000298|-0.00002044|0.00000225|0.00001272|0.00001246|-0.00001447|0.00000378|0.00000389|0.00001168|-0.00001820|-0.00002361|-0.00006616|0.00007267|-0.00010613|-0.00022160|0.00005952|0.00026364|-0.00013533|0.00003041|0.00042326|0.15248812|-0.00002097|-0.00000012|-0.00002335|0.00004991|0.00007843|-0.00000700|-0.00049097|-0.00007731|-0.00017406|0.00335030|-0.00035260|0.00027388|0.00036796|-0.00057085|-0.00018718|0.00769669|0.01289487|-0.00984342|-0.10838745|-0.17078092|0.10847972|-0.00314663|-0.00041287|-0.00439249|-0.00039194|-0.00000658|0.00055414|-0.00002952|-0.00007323|0.00005206|-0.00000940|-0.00001749|-0.00004459|-0.00000839|0.00000330|0.00000544|0.00000247|-0.00001608|-0.00000133|-0.00000922|0.00000506|0.00000538|0.00000174|-0.00000275|0.00000576|-0.00000285|0.00000961|-0.00000638|0.00007259|0.00006440|-0.00018589|0.00004407|0.00010312|-0.00008827|0.11695470|0.16904812|-0.00010666|-0.00003176|-0.00001114|0.00057189|0.00039010|-0.00004460|-0.00100802|0.00061856|0.00075949|-0.00167410|0.00218463|-0.00225192|-0.00073601|-0.00080280|0.00034497|0.01950171|0.01986811|-0.01314150|0.11561760|0.10056766|-0.17718051|0.00635442|-0.00551869|0.00104649|0.00036022|0.00133645|-0.00163931|0.00014761|-0.00000458|-0.00000555|-0.00009581|-0.00007363|0.00009082|0.00013938|-0.00002636|-0.00000720|0.00000272|-0.00005485|0.00000740|-0.00002826|0.00003447|-0.00000086|0.00001172|0.00000944|-0.00000118|-0.00008725|-0.00004242|-0.00002234|-0.00013709|-0.00001884|0.00009361|-0.00050819|0.00004241|0.00064069|-0.13260730|-0.11195420|0.18070885|-0.00004029|0.00000479|-0.00004305|-0.00015372|0.00000393|0.00021099|-0.00063695|-0.00098423|-0.00103990|0.00873692|-0.00429404|0.00772996|0.00041706|0.00164337|0.00026866|0.00861558|0.01371355|0.00776848|-0.06467186|-0.06170485|-0.00703005|-0.00617164|0.00250296|-0.00397758|-0.00051459|-0.00039437|0.00098612|-0.00011789|-0.00003646|-0.00004713|-0.00002989|0.00001387|-0.00003740|0.00001674|-0.00000174|-0.00001621|0.00000139|-0.00001250|-0.00000121|-0.00000420|0.00001066|0.00001108|0.00000935|-0.00001626|-0.00000313|-0.00001516|0.00001516|-0.00005200|0.00026925|0.00002110|-0.00044061|0.00019266|0.00036117|-0.00099836|0.00198647|-0.01693927|-0.00569917|0.05126796|0.00008884|0.00003120|0.00005209|-0.00038884|-0.00017299|-0.00017191|0.00055897|-0.00021672|-0.00011368|-0.00285032|0.00289524|-0.00317674|0.00010987|-0.00081704|-0.00059569|-0.00480855|-0.00916615|-0.00232664|-0.05897838|-0.34348870|-0.08340007|0.00179912|-0.00038993|0.00279865|0.00039597|0.00057188|-0.00036673|-0.00005205|-0.00006788|0.00007184|0.00002182|0.00004485|-0.00002662|0.00002829|0.00001506|0.00001802|-0.00000741|0.00003319|-0.00000638|0.00003831|-0.00003582|-0.00000566|-0.00001236|0.00000003|-0.00000363|0.00003801|0.00001273|0.00003987|0.00003668|-0.00000652|0.00014273|0.00003519|-0.00023501|0.00032611|-0.00183481|-0.01129599|-0.00628714|0.06570855|0.36097022|0.00008958|0.00002584|0.00002277|-0.00056650|-0.00014274|-0.00012677|-0.00093856|-0.00259555|-0.00103268|0.01000845|-0.00125535|-0.00076850|-0.00074437|0.00083533|0.00109336|-0.00624244|-0.03104017|-0.00199572|-0.00374242|-0.07743606|-0.08745491|-0.00480125|-0.00038069|-0.00101298|-0.00003799|-0.00015642|0.00063388|-0.00021456|-0.00000662|0.00007431|0.00005730|0.00007435|-0.00007050|-0.00006752|0.00001542|-0.00000406|0.00000089|0.00003745|-0.00001518|0.00003163|-0.00002199|0.00000679|-0.00001379|-0.00001282|0.00000409|0.00008955|0.00006352|-0.00000047|0.00059516|-0.00039993|-0.00021279|0.00001029|0.00002958|-0.00031854|0.00276019|0.01832012|0.01029598|0.00287049|0.09280800|0.08169244|0.00014123|0.00002715|-0.00003039|-0.00080538|-0.00075541|0.00054037|0.00054115|-0.00040698|-0.00020784|-0.00085263|-0.00032506|0.00413150|-0.00034989|-0.00106477|-0.00005611|-0.00066354|-0.02130728|-0.00548848|0.00004458|-0.00036970|-0.00076888|-0.05742554|0.01005561|0.00435189|-0.00468037|0.04076093|0.01164383|-0.00546200|-0.00071817|0.00048690|-0.00036849|0.00055662|-0.00207356|-0.00070444|-0.00003741|0.00016360|0.00000803|0.00010272|-0.00000807|0.00002912|-0.00005568|0.00001612|-0.00002181|-0.00002317|-0.00000338|0.00014700|0.00018313|0.00004701|0.00009963|0.00002978|-0.00006438|-0.00025819|-0.00001593|-0.00061690|0.00001368|0.00010789|-0.00020227|0.00022073|0.00024279|0.00053272|0.06764434|0.00003513|0.00001899|0.00006876|-0.00063973|0.00001142|-0.00060721|0.00020061|-0.00002421|-0.00003683|-0.00147804|0.00070293|0.00352482|-0.00062150|-0.00119100|-0.00006407|0.00001667|-0.02072666|-0.00674881|0.00119160|0.00123081|-0.00175916|0.01007807|-0.32055335|-0.07633593|0.00089645|-0.00972061|-0.00131212|0.00123067|0.00181131|-0.00120536|0.00053133|-0.00035443|0.00047743|0.00011521|0.00002621|0.00000941|-0.00000231|-0.00000182|-0.00000873|0.00004079|-0.00003205|-0.00000274|-0.00001167|-0.00000261|-0.00000518|0.00011552|0.00007210|0.00000235|-0.00000117|-0.00001533|0.00006592|-0.00023861|-0.00005882|-0.00044803|-0.00008243|0.00051892|-0.00006037|0.00010424|0.00113076|0.00091475|-0.01087757|0.34633149|-0.00004721|0.00000409|-0.00001169|0.00032542|0.00033722|0.00011182|-0.00050609|-0.00056056|0.00069476|0.00330295|0.00038566|-0.00421837|0.00043146|0.00134202|0.00052591|-0.00092155|0.02638509|0.00735301|-0.00016179|0.00107773|0.00068463|0.00440142|-0.07906558|-0.08323477|-0.00154564|0.00012578|0.00001707|0.00070193|-0.00022249|0.00018234|-0.00049476|0.00001054|-0.00001089|0.00031744|-0.00000678|-0.00001446|-0.00000899|-0.00003759|0.00001066|-0.00001064|0.00002834|0.00000249|-0.00000355|0.00002282|0.00000740|-0.00006664|-0.00014560|0.00005375|-0.00001158|0.00003981|-0.00001452|0.00031045|0.00015888|0.00042937|-0.00029343|-0.00003645|0.00023293|0.00042972|-0.00017299|-0.00046184|-0.00874234|0.08464804|0.08657613|0.00024763|-0.00010906|-0.00006047|-0.00113586|-0.00082845|-0.00190010|0.00036250|-0.00060004|0.00072039|0.00089706|0.00104103|-0.00013018|-0.00002439|0.00011911|-0.00043841|0.01006205|0.00159262|0.02194095|-0.00171002|-0.00232259|0.00152752|-0.10292821|-0.00848382|-0.10695738|-0.01726711|0.00168843|-0.03454836|-0.00224290|-0.00108677|0.00183240|0.00025416|0.00118684|0.00267413|-0.00078496|-0.00004746|-0.00011615|0.00002431|0.00012989|0.00000093|0.00002956|-0.00007899|0.00003899|-0.00004847|-0.00001204|0.00004863|0.00042636|0.00064547|-0.00013219|0.00013540|-0.00001289|-0.00004252|-0.00001348|-0.00003623|0.00004949|-0.00188325|0.00081996|-0.00035580|0.00086865|-0.00035750|0.00045974|0.00124056|-0.00085677|0.00199667|0.11386901|-0.00009903|-0.00002287|-0.00001002|0.00065449|0.00026576|0.00112391|-0.00005949|0.00032529|-0.00076292|0.00013170|0.00025529|0.00105895|0.00008726|0.00030677|-0.00051646|0.00881998|0.00247798|0.02143580|-0.00166112|-0.00229968|0.00080255|-0.00809346|-0.05949773|-0.01287786|0.00782088|-0.00006503|0.01184922|0.00117334|0.00027494|-0.00062685|-0.00004962|-0.00048909|-0.00126757|0.00010790|0.00000546|0.00008460|0.00000838|-0.00002511|-0.00000136|-0.00003045|0.00003668|-0.00001325|0.00003252|-0.00002190|-0.00002255|-0.00010181|-0.00009062|-0.00008250|0.00001506|-0.00004125|-0.00004877|0.00001798|-0.00003709|0.00018195|-0.00112327|0.00086123|-0.00002745|0.00020239|0.00024167|0.00027818|-0.01586276|-0.00087783|-0.03403571|0.00779433|0.05837156|-0.00002034|-0.00000660|0.00005009|-0.00010959|0.00016103|0.00012215|-0.00011060|-0.00011399|0.00059944|0.00002833|-0.00169187|-0.00061869|0.00074089|0.00051718|0.00076189|-0.00670738|-0.00191088|-0.02263101|0.00185309|0.00356826|-0.00110991|-0.10180102|-0.01244691|-0.28360267|-0.00221258|0.00138561|0.00629555|0.00091900|-0.00168886|0.00037113|-0.00080691|0.00020508|-0.00050670|0.00032638|-0.00000798|0.00005490|-0.00000456|-0.00001095|0.00000703|-0.00000021|0.00000904|-0.00000258|-0.00001922|0.00003341|0.00001715|0.00003402|-0.00020162|0.00016256|-0.00003809|0.00012803|-0.00004620|-0.00001479|0.00020580|-0.00022486|0.00170063|-0.00077407|0.00007210|-0.00094458|0.00043684|-0.00033846|-0.00374878|-0.00162027|-0.00917428|0.11190263|0.01347147|0.31038968|0.00067540|0.00058079|-0.00030128|-0.00227200|0.00217250|0.00134927|0.00066365|-0.00046913|-0.00014148|-0.00018281|0.00092194|0.00064550|0.00003386|-0.00039761|-0.00011831|-0.00458699|0.00397284|-0.00170410|-0.00042536|-0.00117087|0.00054923|-0.01660786|-0.02488620|0.01199994|-0.18016819|-0.14224465|0.05660474|0.01204971|0.01577870|-0.00480063|0.00034263|0.00257188|-0.00215242|0.00017697|0.00008774|0.00003849|-0.00008712|0.00035278|0.00008165|0.00001470|-0.00004052|-0.00004003|-0.00000250|-0.00002187|0.00001713|-0.00001197|-0.00013363|-0.00008453|0.00009561|-0.00004729|0.00003840|-0.00001288|-0.00010440|-0.00013091|0.00035314|-0.00003554|0.00055391|-0.00024031|0.00019061|-0.00014194|0.00142119|0.00026251|0.00062548|-0.00044555|0.00021343|-0.00095314|0.18921165|-0.00096482|-0.00045193|0.00062456|0.00540748|-0.00069455|0.00317576|-0.00022208|0.00096389|-0.00014569|0.00080633|-0.00067550|-0.00072287|-0.00036931|0.00023323|0.00009265|0.00202811|0.00005590|0.00058314|-0.00004971|0.00019040|-0.00033336|0.00896698|0.00856447|-0.00319656|-0.13518642|-0.23612943|0.07004330|-0.02203389|-0.02384656|0.01149886|-0.00114593|-0.00045811|-0.00240663|0.00086423|0.00050141|-0.00004881|0.00022578|-0.00040559|-0.00020922|0.00004661|-0.00002783|0.00006233|0.00003055|-0.00003409|-0.00013965|-0.00056431|-0.00099946|0.00046551|-0.00008701|-0.00000184|0.00009707|0.00008310|0.00003756|0.00007967|-0.00006356|0.00001935|-0.00015705|0.00007607|-0.00004396|0.00005335|-0.00022376|0.00169929|-0.00027837|-0.00013630|0.00001368|0.00035420|0.14246154|0.25153832|0.00125435|0.00119365|-0.00077761|-0.00156625|0.00390301|0.01291366|0.00067355|0.00017617|-0.00044942|-0.00001588|0.00015718|0.00002973|0.00002012|-0.00004499|-0.00006199|0.00059433|0.00016391|0.00032084|-0.00014009|-0.00003257|0.00007128|0.00246269|0.00036545|0.00607301|0.05256028|0.07185265|-0.07694676|0.00661955|0.00584979|0.00602286|-0.00077563|-0.00266813|-0.00877232|-0.00003002|0.00000783|0.00052493|-0.00025202|0.00051356|-0.00001740|-0.00007065|0.00001211|-0.00003665|0.00008062|-0.00006338|-0.00006450|-0.00110305|-0.00232171|0.00041523|0.00004991|-0.00001212|0.00003865|-0.00000920|-0.00002915|0.00002884|-0.00000396|0.00002067|0.00001548|0.00004645|-0.00003462|-0.00001801|-0.00001733|0.00053137|0.00025698|0.00162832|-0.00006276|-0.00067142|-0.06200406|-0.07960945|0.06072952|-0.00003033|0.00000721|-0.00004226|-0.00018539|-0.00012941|0.00008956|0.00020121|-0.00002628|-0.00005613|-0.00021179|0.00004861|0.00006799|0.00016053|0.00002413|-0.00002195|0.00000489|-0.00009238|0.00002905|0.00002597|0.00003929|-0.00000849|-0.00002779|0.00003072|0.00002992|-0.00004053|0.00028810|-0.00008620|0.00054162|-0.00023412|0.00036928|0.00324336|0.00029443|0.00002376|-0.45971171|0.01694682|0.02392917|0.00005669|0.00003053|-0.00000645|-0.00000147|-0.00007182|0.00005467|-0.00001556|-0.00001826|-0.00000898|0.00000418|0.00000602|-0.00001464|0.00001102|-0.00000769|-0.00001835|-0.00002992|0.00000412|0.00001146|-0.00000106|0.00000388|-0.00001525|-0.00000626|-0.00000280|0.00000536|0.00004104|-0.00000899|-0.00002874|0.00006696|0.00000138|-0.00001319|0.00000506|0.00005033|-0.00000204|0.45589926|-0.00004937|-0.00001985|-0.00009312|0.00087563|-0.00020710|0.00010216|0.00028858|0.00005505|-0.00003706|-0.00012909|0.00018002|0.00011104|0.00007734|-0.00006092|-0.00002432|0.00003320|0.00002351|-0.00002239|-0.00001342|-0.00002433|0.00001605|0.00002493|0.00010856|-0.00019498|-0.00152563|0.00010355|0.00010916|0.00087785|0.00649898|-0.00052610|0.00032746|0.00506609|-0.00018450|0.01648554|-0.03208077|0.00038943|0.00003703|-0.00002612|-0.00000085|-0.00003827|0.00000483|0.00012608|-0.00003642|0.00001204|-0.00001177|0.00001583|0.00001975|-0.00005310|0.00003954|0.00000280|-0.00002777|-0.00001837|-0.00001340|-0.00000837|-0.00000314|0.00000039|0.00000830|0.00000192|-0.00001013|-0.00000755|-0.00002298|0.00000450|-0.00000392|-0.00004878|0.00003188|-0.00000196|-0.00001555|-0.00004865|0.00013154|-0.01718383|0.02037932|0.00009376|0.00000131|0.00003045|-0.00020827|0.00009826|-0.00000285|0.00003025|0.00006423|-0.00006074|0.00001321|-0.00000716|0.00000330|-0.00001466|0.00000725|-0.00001236|0.00001676|-0.00001069|0.00000903|-0.00000401|0.00001871|-0.00002085|-0.00016819|-0.00025575|-0.00059900|0.00036510|0.00002971|-0.00011541|0.00018650|-0.00045636|0.00576458|-0.00037459|-0.00016933|0.00514895|0.02430887|0.00031550|-0.03009411|0.00000244|0.00000163|-0.00001309|0.00002219|0.00003127|0.00004993|-0.00006251|-0.00001513|-0.00005636|0.00002996|-0.00002557|0.00002585|-0.00001273|0.00001689|0.00001770|0.00000537|-0.00000326|0.00000791|0.00000506|0.00000153|-0.00000269|0.00000846|-0.00000567|0.00000779|0.00011475|-0.00002804|0.00000158|-0.00013923|0.00006939|0.00002311|0.00006909|0.00011726|0.00037511|-0.02428756|0.00020402|0.01951217| 160.10005 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 19.9884 91.0443 135.5487 181.0271 200.2256 266.4863 287.5151 330.2591 345.1606 374.6635 383.4643 446.7958 461.1142 541.4908 569.8086 615.8503 665.1933 680.9846 753.3392 771.1406 787.5900 815.2596 819.1310 872.1142 881.8355 953.8859 979.2936 990.0508 1067.9649 1089.2826 1100.1423 1118.3355 1132.4126 1180.8679 1243.1904 1263.9749 1300.0441 1328.2039 1404.7013 1466.8360 1481.4382 1497.6478 1511.2433 1544.5597 1567.9543 1592.7054 1624.8909 1632.9298 1643.8435 1653.6577 1868.7324 1883.6585 1892.5449 2396.9491 3183.9450 3189.6706 3212.6010 3245.8104 3273.7450 3326.9132 3342.9897 3355.6148 3433.3402 3662.8528 3698.3749 3822.8684 3.9220 3.8585 4.2989 3.6763 2.9919 1.6699 1.8759 2.9705 4.1995 2.8179 2.2897 4.2869 3.3417 3.7982 1.7660 3.1416 4.0393 2.4801 1.9679 1.3297 2.7588 1.4845 2.5383 2.0939 2.4173 1.5261 1.3275 1.8752 1.7183 1.7378 1.4839 2.0713 2.3220 2.4154 2.6995 1.9367 1.7315 1.5714 1.5361 1.3092 1.3093 1.4530 1.9384 2.0473 1.2683 1.3177 1.1140 1.2653 1.0619 1.1369 7.6627 5.4868 6.1589 5.8303 1.0846 1.0693 1.0413 1.0946 1.1030 1.0989 1.0645 1.0912 1.1157 1.1668 1.0755 1.0765 0.0009 0.0188 0.0465 0.0710 0.0707 0.0699 0.0914 0.1909 0.2948 0.2331 0.1984 0.5042 0.4186 0.6562 0.3378 0.7020 1.0531 0.6776 0.6580 0.4659 1.0083 0.5813 1.0035 0.9383 1.1075 0.8181 0.7501 1.0829 1.1547 1.2149 1.0582 1.5263 1.7544 1.9845 2.4582 1.8230 1.7242 1.6333 1.7858 1.6597 1.6931 1.9201 2.6083 2.8776 1.8371 1.9694 1.7329 1.9878 1.6906 1.8318 15.7661 11.4703 12.9971 19.7359 6.4783 6.4097 6.3321 6.7946 6.9649 7.1662 7.0090 7.2396 7.7489 9.2234 8.6670 9.2696 0.8704 0.9252 1.0770 1.6570 1.6701 1.0168 2.4317 1.3093 4.6123 8.1444 1.3546 2.1479 6.6412 15.6903 40.8638 8.0722 4.1205 9.3356 9.5940 57.7324 11.4757 39.4892 13.8288 3.2735 4.2294 5.0985 125.5468 5.1247 24.2940 16.0559 27.4352 3.1635 8.4701 24.4423 20.8678 17.1443 27.2605 20.1732 20.8713 15.9823 32.3290 24.1632 149.6631 63.9153 7.0627 80.9174 23.3694 30.1395 2.8992 4.3141 10.2845 6.6171 290.9794 6.6218 26.5041 28.2574 29.7031 20.8587 39.3845 17.1646 12.6159 16.2955 6.0613 77.0129 5.7638 8.8356 0.9395 9.4138 1.0834 8.0447 3.2576 1.7636 3.4856 4.9052 5.0257 4.4840 1.9233 2.1238 6.7656 7.2686 0.3454 0.6758 12.8270 1.2868 2.6812 6.6985 10.1021 3.4293 10.0998 6.3890 5.0981 3.2716 4.0979 1.9309 2.0993 12.0784 4.8603 1.8369 6.0398 3.9771 9.0131 5.1710 6.8237 10.1203 2.5726 4.4544 8.1623 17.6863 11.6602 9.5432 1.9157 19.1963 16.5993 11.1495 11.7452 7.7390 133.7372 51.3823 29.9451 377.7057 72.7318 135.7010 106.7966 73.4405 60.8847 52.1536 86.1448 98.2095 64.7784 25.9390 152.2638 62.0891 0.7500 0.7439 0.6466 0.7480 0.7017 0.5293 0.6263 0.7366 0.7497 0.7498 0.7346 0.1902 0.4728 0.7045 0.5055 0.6608 0.1234 0.2731 0.7153 0.7179 0.2001 0.6358 0.4169 0.7415 0.7419 0.6695 0.4791 0.7101 0.5723 0.5107 0.5618 0.7345 0.5810 0.5867 0.2420 0.5409 0.6339 0.5234 0.6739 0.7490 0.7052 0.3346 0.5283 0.7332 0.7204 0.6202 0.4023 0.6992 0.7477 0.7014 0.2558 0.2119 0.4246 0.2977 0.2874 0.1688 0.0412 0.5718 0.7500 0.6055 0.1295 0.3036 0.7267 0.2477 0.3417 0.2274 0.8571 0.8532 0.7854 0.8559 0.8247 0.6922 0.7702 0.8483 0.8570 0.8570 0.8470 0.3196 0.6421 0.8267 0.6716 0.7958 0.2198 0.4290 0.8341 0.8358 0.3335 0.7774 0.5885 0.8515 0.8518 0.8020 0.6478 0.8305 0.7280 0.6762 0.7195 0.8470 0.7350 0.7396 0.3897 0.7021 0.7759 0.6871 0.8052 0.8565 0.8271 0.5014 0.6914 0.8461 0.8375 0.7656 0.5738 0.8229 0.8557 0.8245 0.4074 0.3498 0.5961 0.4589 0.4465 0.2889 0.0791 0.7276 0.8571 0.7543 0.2294 0.4658 0.8417 0.3970 0.5094 0.3705 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 6 6 7 6 7 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 14.00307 12.00000 14.00307 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 1079.95911 2569.72539 3327.01062 0.99966 -0.02605 0.00322 0.02603 0.99965 0.00542 -0.00336 -0.00533 0.99998 1 0.08020 0.03371 0.02603 1.67112 0.70231 0.54245 28.76 130.99 195.02 260.46 288.08 383.41 413.67 475.17 496.61 539.06 551.72 642.84 663.44 779.08 819.83 886.07 957.06 979.78 1083.89 1109.50 1133.17 1172.98 1178.55 1254.78 1268.76 1372.43 1408.99 1424.46 1536.56 1567.23 1582.86 1609.04 1629.29 1699.01 1788.67 1818.58 1870.47 1910.99 2021.05 2110.45 2131.46 2154.78 2174.34 2222.28 2255.94 2291.55 2337.86 2349.42 2365.12 2379.24 2688.69 2710.16 2722.95 3448.68 4580.99 4589.22 4622.22 4670.00 4710.19 4786.69 4809.82 4827.98 4939.81 5270.03 5321.14 5500.25 0.215190 0.225991 0.226936 0.178000 -494.231886 -494.221085 -494.220141 -494.269076 1.641288D-04 MUNgauss RevisionA2.1 retrievium 16-Nov-2022 GDB_13 Smiles: CC1NC(=N)C(=C)CC=C1C#C RHF 6-31G(d) (6D,10F) C1 160.100048 |X|Y|Z| 24.361673 12.564333 37.082150 22.473488 7 6 7 6 1 |36.858105| |12.455226|36.858105| |7.902681|13.003446|53.358707| |5.160664|7.645902|18.713417|36.858105| |4.155400|5.298160|11.008077|15.113078|53.358707| |4.313201|6.487288|10.732194|12.773955|10.868697|36.858105| |3.539983|4.882722|7.328774|7.806021|8.905825|14.437752|36.858105| |4.170005|6.055623|8.965612|7.462842|7.223525|12.599460|7.644448|36.858105| |5.055048|7.510723|8.826650|5.866357|5.795988|7.423860|5.381597|12.627006|36.858105| |7.489146|12.443692|10.429290|5.843872|5.751264|6.212563|4.693009|7.454028|14.358080|36.858105| |6.648691|7.487718|6.912453|4.078548|4.392277|4.259528|3.553295|4.972657|8.028947|13.169539|36.858105| |5.320689|5.280428|5.323758|3.259548|3.669184|3.377083|2.943081|3.850060|5.515844|7.228442|16.022497|36.858105| |17.545743|8.841449|9.863342|5.034436|5.862547|4.000665|3.386706|3.662936|4.117705|5.478055|4.861955|4.135429|0.500000| |17.635950|8.785706|7.704217|4.174179|4.701886|3.747124|3.206111|3.704195|4.624059|6.811836|7.314839|6.316005|0.302000|0.500000| |17.557173|8.795500|9.683082|4.691402|5.261020|3.940118|3.200857|4.006592|4.860093|6.777470|6.296923|5.206609|0.299958|0.301464|0.500000| |8.951522|17.505575|12.340021|7.147150|7.070826|6.487251|5.347139|5.484156|6.334614|8.951339|6.335324|4.781298|0.215616|0.214657|0.174096|0.500000| |7.994342|9.232807|25.995242|9.561925|10.353610|5.780964|4.386933|4.962236|4.929517|5.814523|4.356488|3.525019|0.233945|0.153681|0.210132|0.197859|0.500000| |4.309518|5.081893|10.565875|10.113625|25.759236|5.845031|4.929503|4.378154|3.776148|3.911226|3.080997|2.608585|0.130063|0.097849|0.112626|0.135619|0.242283|0.500000| |3.360572|4.426801|6.733859|7.178473|9.501491|9.127078|17.745944|5.483629|4.275228|3.992287|3.139369|2.656014|0.092618|0.084640|0.083637|0.138834|0.117929|0.146511|0.500000| |3.105488|4.123820|5.847780|5.544066|6.560311|9.097854|17.707290|6.972194|5.080416|4.258463|3.371366|2.847087|0.081590|0.080328|0.079020|0.124248|0.099751|0.107502|0.288232|0.500000| |3.441790|4.662870|6.575560|5.531250|5.950238|8.985793|7.373214|17.563539|9.040765|5.735432|4.311923|3.502680|0.085450|0.088064|0.091869|0.124191|0.108015|0.101447|0.144915|0.222541|0.500000| |3.898916|5.256249|8.528096|6.913517|7.166261|8.918575|5.926995|17.494056|8.961845|6.123021|4.377912|3.496868|0.096316|0.094741|0.109032|0.126851|0.137759|0.123266|0.128832|0.149985|0.304769|0.500000| |4.179356|5.464639|6.511945|4.438495|4.718594|5.483748|4.422738|8.715208|17.698501|9.277726|7.598617|5.719229|0.096133|0.111341|0.114784|0.134460|0.108523|0.086899|0.099946|0.123388|0.225260|0.199186|0.500000| |4.334991|4.135643|4.402808|2.763843|3.198023|2.849351|2.546394|3.194682|4.271715|5.159510|8.482648|18.025844|0.098534|0.143736|0.119716|0.107251|0.083091|0.063637|0.064731|0.069152|0.082769|0.082065|0.125701|0.500000| 493.968073 -2478.785028 896.851074 -69.459121 -1157.425002 662.977926 -494.447076 2.000970 400FFFFFFFFFFFFA 41A4B42625FFFFFE 413ED09808EE23B6 409B9BFFFFFFFFFE 4014000000000000 4110693C00000000