Version2.4 2021-07-01T11:12:56Z 10.1021/jm300687e Gaussian16 RevisionB.01 RPOIRIER 13-Sep-2018 #N HF/3-21G OPT=(MaxStep=1,RFO,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccnc(c1)Oc2ccc(cc2)I C42205770 RHF 3-21G (6D,7F) c1ccnc(c1)Oc2ccc(cc2)I C01[X(C11H8I1N1O1)] 60 C1 166 Ic1ccc(cc1)Oc1ccccn1 Ic1ccc(cc1)Oc1ccccn1 Ic1ccc(Oc2ccccn2)cc1 InChIKey=DAADYVOZSKIQTG-UHFFFAOYSA-N InChI=1S/C11H8INO/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h1-8H InChI=1/C11H8INO/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h1-8H c1ccnc(c1)Oc2ccc(cc2)I C01[X(C11H8I1N1O1)] 60 C01 166 Ic1ccc(cc1)Oc1ccccn1 I[C]1[CH][CH][C]([CH][CH]1)O[C]1[CH][CH][CH][CH][N]1 I[C]1[CH][CH][C]([CH][CH]1)O[C]2[CH][CH][CH][CH][N]2 InChIKey=DAADYVOZSKIQTG-UHFFFAOYSA-N InChI=1S/C11H8INO/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h1-8H InChI=1/C11H8INO/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h1-8H 1192.5377984860 -7435.2909586 1-A 7144.0496 71 95 166 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| ********** -180.06675 -168.30649 -168.30531 -168.30518 -37.81873 -32.71325 -32.70927 -32.70909 -24.16256 -24.16077 -24.16053 -24.15648 -24.15648 -20.51333 -15.50565 -11.30927 -11.26451 -11.23743 -11.22890 -11.21652 -11.19651 -11.19571 -11.19418 -11.19363 -11.18499 -11.17842 -7.24113 -5.37483 -5.36394 -5.36339 -2.41691 -2.41233 -2.41198 -2.39987 -2.39987 -1.44664 -1.29379 -1.17809 -1.11282 -1.06893 -1.03572 -1.02181 -0.90370 -0.88899 -0.85496 -0.84435 -0.80088 -0.76375 -0.72365 -0.69470 -0.66421 -0.64751 -0.64727 -0.63931 -0.61878 -0.61030 -0.59026 -0.56043 -0.55399 -0.54412 -0.51085 -0.49848 -0.45713 -0.42186 -0.40430 -0.39352 -0.36044 -0.35472 -0.35202 -0.30535 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.11378 0.12140 0.12479 0.13909 0.16489 0.25389 0.28437 0.31348 0.32438 0.34251 0.35279 0.35517 0.35921 0.37463 0.37593 0.40483 0.43413 0.46972 0.47698 0.48904 0.50786 0.52758 0.52901 0.56176 0.57291 0.59137 0.59317 0.62420 0.64067 0.74208 0.77815 0.81552 0.85726 0.89324 0.91122 0.91423 0.93847 0.93973 0.97696 0.99736 1.00319 1.00620 1.02241 1.03492 1.04167 1.05115 1.05715 1.07152 1.07731 1.09193 1.09922 1.09934 1.10672 1.11699 1.13393 1.19233 1.22811 1.27071 1.30402 1.31215 1.31730 1.34741 1.36057 1.39918 1.42403 1.44744 1.46544 1.50845 1.54063 1.55203 1.56580 1.60349 1.62097 1.64668 1.67846 1.70222 1.72540 1.75944 1.78913 1.81023 1.82143 1.90593 1.92597 1.99677 2.12047 2.14536 2.23165 2.25924 2.41135 2.69273 2.77633 3.33985 3.82082 4.67957 229.07199

11.40502 -4.2218 -0.1582 0.0018 4.2248 |XX|YY|ZZ|XY|XZ|YZ| -81.0002 -94.7842 -111.1232 -1.8267 -0.0079 -0.0021

|XX|YY|ZZ|XY|XZ|YZ| 14.6357 0.8517 -15.4873 -1.8267 -0.0079 -0.0021

|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| -19.7899 7.4524 0.0021 36.3504 9.4635 0.0437 67.4226 3.5936 0.0004 0.0182

0 |0.85394438|0.00592177|0.61307824|-0.08211687|0.21977887|0.33154338|-0.16673753|-0.02766618|-0.00538551|0.83558994|0.04388542|-0.26987814|-0.10008207|0.09459360|0.63252972|0.03307141|-0.09070919|-0.14741149|-0.03439626|0.22811472|0.31208013|0.03872997|0.10940220|0.05573330|-0.33547430|0.01618699|0.03917537|0.71438033|0.05185083|0.00071799|-0.01465992|0.09264090|-0.17974037|-0.05342651|-0.01382776|0.73746016|0.02480408|-0.02218736|0.00018150|0.08025929|-0.04341767|-0.13675121|-0.07213781|0.27966924|0.38011519|-0.01885793|-0.04479849|-0.02314154|-0.08604639|0.00603428|0.01862813|-0.26365737|-0.10514146|-0.03395105|0.50685569|-0.03878744|-0.08663995|-0.03517245|-0.06885625|0.07676626|0.03335679|-0.06526880|-0.18679660|-0.04269256|0.10941211|0.58075747|-0.01991202|-0.03438598|-0.02761551|-0.02161268|0.02354779|0.04696131|-0.01253595|-0.03747325|-0.10993185|0.00895299|0.23001274|0.24855083|-0.08124464|-0.05502354|-0.01778812|-0.04245470|0.04635822|0.02871364|0.06563192|-0.03745830|-0.02834832|-0.17991487|0.00280578|0.01208383|0.78496892|0.00913350|0.08509524|0.03985934|0.06049873|-0.05413860|-0.02979033|-0.10872233|-0.08776838|-0.03441621|0.04525217|-0.30579983|-0.11701514|0.05738714|0.68000429|0.01667883|0.04825627|0.03245656|0.03631411|-0.02792671|-0.03321860|-0.06665815|-0.04376615|-0.01202190|0.03489565|-0.11147755|-0.16352764|-0.04097329|0.23092596|0.36589778|-0.31937400|-0.07038558|-0.00778559|0.06395367|-0.07811036|-0.04864714|-0.10789660|-0.01972769|0.00219347|0.04779079|0.10214754|0.05283618|-0.24543488|0.01432789|0.02594127|0.72865731|-0.14123535|-0.22226411|-0.05258063|-0.02960248|-0.03284213|-0.02078764|-0.00407037|-0.00468376|0.00346701|0.03738764|-0.01481287|-0.03007319|0.09552702|-0.16542270|-0.04434041|0.06319687|0.73542907|-0.04586869|-0.06187156|-0.11725266|-0.02257989|-0.01442818|0.00825570|0.01062256|0.00552001|-0.00856816|0.01802394|-0.03855217|0.00895463|0.06958481|-0.03370601|-0.13342527|-0.03778179|0.28987912|0.34144118|0.00577512|0.01774799|0.00953442|0.00281539|-0.01441401|-0.00817511|-0.00969369|0.00772099|0.00695026|0.01378730|-0.01600267|-0.00979209|-0.25385508|-0.10511683|-0.03045005|-0.07956602|-0.04353954|-0.01147654|0.70401496|0.00525324|0.00064250|-0.00343291|-0.00510909|-0.00347649|-0.00095004|0.00684979|0.00797870|-0.00292252|-0.04699780|-0.05044940|-0.02354057|-0.07477125|-0.15397590|-0.04367776|-0.00361540|0.00871365|-0.00113573|0.12213546|0.28323274|0.00283269|-0.00506174|0.00265861|-0.00317474|0.00025596|0.00009198|0.00648062|-0.00302790|0.00926335|-0.02643714|-0.02757196|-0.00661714|-0.01409900|-0.03971296|-0.07411212|0.00999017|0.00410118|0.01259410|-0.01947933|0.10663343|0.11527340|-0.00303035|-0.00332341|-0.00116003|0.00137000|0.00471648|0.00240410|0.00128645|-0.00381194|-0.00216698|0.00677122|0.01628923|0.00743870|-0.06779086|-0.01860810|-0.00178007|0.01292764|0.00263664|-0.00005403|-0.27643725|0.00877577|0.03410395|0.74150921|-0.00044574|0.00166665|0.00000234|0.00082162|-0.00038467|-0.00051495|-0.00082052|-0.00041124|-0.00033232|0.00265586|0.00110050|0.00201500|-0.02831578|0.00635031|0.00993730|-0.00244364|-0.00248853|-0.00190851|0.03529327|-0.10174542|-0.03091406|0.02717072|0.64186676|0.00038419|0.00038045|0.00192283|0.00030991|-0.00102325|-0.00021751|-0.00055387|0.00006364|0.00050886|0.00010631|0.00021483|-0.00318746|-0.00704075|0.00866019|0.00040123|-0.00279489|-0.00258304|0.00062951|0.04841245|-0.02741768|-0.07407578|-0.05459351|0.22596631|0.34399547|0.00069999|0.00130604|0.00061920|0.00023240|-0.00133475|-0.00078165|-0.00170898|0.00143989|0.00101029|-0.00758570|-0.00339908|-0.00040874|0.01062382|0.00648659|0.00190038|-0.00286708|-0.00097423|-0.00015812|-0.03274509|0.03975733|0.02715505|-0.18543129|-0.00204970|0.00968186|0.77501340|0.00008295|0.00032774|0.00012813|0.00050288|-0.00006155|0.00003875|-0.00008762|-0.00089909|-0.00052130|0.00423302|0.00305179|-0.00064202|0.00115432|0.00215218|0.00182054|-0.00015068|-0.00025111|-0.00007591|-0.00038695|0.00489265|-0.00328635|0.08534247|-0.26997441|-0.10082183|0.09594476|0.69204547|-0.00003888|-0.00003285|0.00005575|0.00020647|0.00028031|-0.00013110|0.00019042|-0.00072319|-0.00032032|0.00369555|0.00036799|0.00291033|-0.00097418|0.00111434|-0.00077804|0.00028786|0.00003122|-0.00009125|0.00556332|-0.00856530|0.00574314|0.05669765|-0.08932338|-0.15895569|-0.02421915|0.25268993|0.33795517|-0.00005257|-0.00025969|-0.00014959|-0.00024560|0.00012414|0.00008672|0.00035156|0.00015876|-0.00001092|-0.00140665|-0.00044429|0.00010821|-0.00234925|-0.00051811|0.00001830|0.00040041|0.00016367|-0.00000291|0.00334385|-0.00623744|-0.00262694|-0.01980613|0.10727280|0.06187169|-0.33778512|-0.03951381|0.01027537|0.73038017|-0.00000616|-0.00022793|-0.00005206|-0.00026216|0.00000318|0.00008497|0.00015684|0.00038836|0.00039381|-0.00283723|0.00011698|-0.00021868|-0.00196548|-0.00160678|-0.00057057|0.00036670|0.00023634|0.00023533|0.00030019|-0.00497894|-0.00748995|0.04416167|0.04443962|0.01175466|0.03995984|-0.14877568|-0.03248093|-0.01240472|0.69582057|-0.00001272|-0.00001845|-0.00013709|-0.00012023|0.00003390|-0.00005752|-0.00001278|0.00039329|-0.00016934|-0.00117959|-0.00053374|0.00108930|-0.00075439|-0.00075831|-0.00038051|0.00010569|0.00026234|-0.00016366|0.00088784|-0.00663349|0.00519080|0.02791549|0.00345300|0.00997605|0.05302524|-0.02202800|-0.11699581|-0.07556292|0.26473563|0.35918943|0.00006644|0.00006153|0.00002647|0.00014072|-0.00013620|-0.00008797|-0.00040289|-0.00014942|-0.00002321|0.00036266|0.00026413|0.00005241|0.00007331|-0.00034792|-0.00021771|0.00001862|0.00013403|0.00008173|-0.00159991|0.00121499|0.00074749|-0.00185542|-0.01046442|-0.00713617|-0.04842813|-0.02611705|-0.00485923|-0.20874298|-0.12697697|-0.05426276|0.56607916|-0.00008576|0.00009493|0.00005404|0.00010502|0.00005890|0.00000308|-0.00009363|0.00002636|0.00000914|0.00045533|0.00025554|0.00024716|0.00072119|-0.00047521|-0.00026639|-0.00004117|0.00001363|-0.00003645|0.00313106|0.00481922|0.00266334|-0.01235154|-0.09813547|-0.04401809|-0.09349974|0.04864780|0.02694397|-0.05626538|-0.25592227|-0.07545500|0.03699664|0.56749796|-0.00005302|0.00003482|0.00004053|0.00004161|0.00003486|0.00004090|0.00000684|0.00001661|0.00003999|0.00015552|0.00027327|-0.00019072|0.00035743|-0.00012864|-0.00026644|-0.00001235|-0.00005968|0.00006142|0.00177785|0.00291793|0.00043356|-0.00815189|-0.04426738|-0.03604168|-0.04111312|0.01807887|0.03656159|-0.01622276|-0.06615565|-0.13537918|-0.03262326|0.21073281|0.28446112|-0.00023535|-0.00002832|-0.00000284|-0.00000692|0.00022304|0.00011912|0.00016827|0.00011246|0.00001022|-0.00008682|0.00018669|0.00014417|-0.00021890|-0.00071203|-0.00010425|0.00016098|0.00001302|-0.00004741|0.00677465|0.00203235|0.00104197|-0.05040683|-0.09359487|-0.04225726|-0.06835974|0.03761388|0.02800063|0.08971960|0.01841080|0.00066666|-0.16994411|0.02219631|0.02100834|0.77155440|-0.00014133|-0.00010344|0.00003699|-0.00012612|0.00008416|0.00006831|0.00021516|0.00005241|0.00011415|-0.00054457|-0.00019793|-0.00016759|-0.00125119|0.00113475|-0.00023297|-0.00002403|-0.00046070|-0.00010793|-0.00532135|-0.00557653|-0.00575460|-0.02669970|0.05399391|0.02655806|0.04252191|-0.02803116|-0.01565552|-0.03950111|-0.05746903|-0.03622049|0.09221034|-0.25592338|-0.09544644|0.09288283|0.67906094|-0.00006270|0.00002238|-0.00011767|-0.00006853|0.00002221|0.00000864|0.00006557|0.00012764|-0.00015256|-0.00024912|-0.00026442|0.00013897|-0.00039551|-0.00030454|0.00176280|-0.00006768|-0.00011199|-0.00030626|-0.00291176|-0.00672065|0.00318578|-0.00626625|0.03535990|0.03100740|0.03064331|-0.01500906|-0.02143763|-0.03048786|-0.04383459|-0.00006691|0.05867389|-0.08623676|-0.15519568|-0.02463887|0.24321254|0.33840413|0.00037061|0.00095766|0.00045098|-0.00007918|-0.00092338|-0.00048534|-0.00036840|0.00047271|0.00029321|-0.00049513|-0.00266250|-0.00133831|0.00510848|0.00846669|0.00390266|-0.00277030|-0.00174726|-0.00050972|-0.07331693|-0.04529624|-0.01336867|-0.18627302|-0.03029614|-0.00501367|0.08949745|-0.03686389|-0.02926371|-0.08421625|-0.04125092|-0.01245997|-0.02118099|0.10171190|0.06030576|-0.36388180|-0.03831915|0.01473285|0.78299269|0.00029014|-0.00021864|-0.00009245|-0.00008977|-0.00015359|-0.00007263|-0.00011710|-0.00010372|-0.00000430|-0.00035785|-0.00007997|-0.00010922|0.00277179|-0.00037311|-0.00062628|-0.00001155|0.00078026|0.00014378|-0.00060872|0.00836823|-0.00097037|-0.12015109|-0.25084560|-0.06507460|0.01939455|-0.04964624|-0.03884714|-0.03764704|-0.02428743|-0.00260442|0.03549464|0.04008930|0.00545062|0.04105688|-0.14958339|-0.03471866|-0.01836629|0.67582696|0.00009214|-0.00018116|-0.00022562|-0.00003736|0.00003696|0.00002819|-0.00002348|-0.00008223|-0.00010754|-0.00010037|0.00019428|0.00032932|0.00083231|-0.00137310|-0.00074414|0.00042577|0.00037276|0.00065988|0.01067901|0.00490404|0.01156554|-0.05336173|-0.07689343|-0.13486248|0.00100713|-0.03144921|0.00077226|-0.01052480|-0.00213305|-0.01000378|0.02468238|-0.00326039|0.01628042|0.05743911|-0.02427355|-0.11570861|-0.08816677|0.26496871|0.34194797|0.00011108|0.00015425|0.00006961|-0.00007834|-0.00016228|-0.00007558|0.00001904|0.00024337|0.00013332|-0.00050880|-0.00051791|-0.00022326|0.00153199|0.00095469|0.00030482|-0.00045265|-0.00012131|-0.00000212|-0.00263889|-0.00041923|0.00004680|0.00224851|-0.00015391|-0.00038349|0.00087625|-0.00391272|-0.00170896|-0.03193688|0.00826807|0.00938221|-0.12822324|0.00314710|0.01564411|-0.02928068|-0.00661139|0.00100164|0.00165750|0.00300572|0.00188461|0.18679025|-0.00001247|-0.00001916|-0.00001365|-0.00001636|0.00002123|0.00000783|0.00001689|0.00001604|-0.00001404|-0.00009130|-0.00000317|0.00005841|-0.00005002|-0.00009611|-0.00001260|0.00003116|0.00001759|-0.00001011|0.00017289|0.00002265|0.00029389|0.00000851|0.00067008|0.00037741|-0.00021365|-0.00083205|-0.00250834|-0.01743832|0.00254304|0.00065690|0.00325305|-0.02459176|-0.00173308|0.01893765|0.00170906|-0.00447318|-0.00062451|-0.00107820|-0.00248207|-0.00441434|0.02137316|-0.00002014|-0.00003562|-0.00000724|0.00000285|0.00002708|0.00002480|0.00001162|-0.00004376|0.00001294|0.00000596|0.00011432|-0.00002858|-0.00023645|-0.00014461|-0.00010737|0.00008008|0.00000992|0.00002358|0.00036554|0.00037173|-0.00041367|-0.00029534|0.00039849|0.00021971|0.00028054|-0.00202158|0.00275770|-0.00444617|-0.00272345|0.00470499|0.01569757|-0.00171954|-0.02515639|0.01475011|-0.00111313|0.00285474|-0.00006889|-0.00295957|0.00210431|-0.02571016|0.00703943|0.01653778|-0.32233315|0.08754024|0.08163725|0.00319248|-0.00203156|-0.00037514|0.00166854|-0.00091953|0.00040712|0.00026019|-0.00041959|-0.00072426|-0.00092243|-0.00378932|-0.00033907|-0.02097912|0.01276236|0.01080000|-0.00239434|0.00023423|0.00036574|0.00069730|-0.00020097|-0.00024763|-0.00014895|0.00003050|0.00003682|0.00001216|0.00001685|0.00001352|0.00002863|-0.00000534|-0.00000815|-0.00000397|-0.00004434|-0.00001945|-0.00020976|0.00003934|0.00004490|-0.00003270|-0.00000008|0.00000370|0.33943440|0.08828626|-0.10339902|-0.03583451|0.03156728|-0.00233973|-0.01004838|-0.00092557|-0.00421897|-0.00674016|-0.00045013|-0.00094738|0.00145636|-0.00434260|0.00007580|-0.00586212|-0.02090495|0.01360084|0.00515427|-0.00117775|0.00030959|0.00062803|0.00006188|-0.00022997|0.00006031|-0.00004296|-0.00000888|-0.00000235|0.00000353|0.00003005|-0.00000894|0.00000327|-0.00000106|0.00000519|-0.00000195|-0.00001842|-0.00002536|-0.00009108|0.00002872|0.00004333|-0.00000273|-0.00000050|0.00000234|-0.09390315|0.09835985|0.08203891|-0.03573743|-0.08818737|0.01768116|-0.00564670|0.00331159|0.00040344|-0.00674123|0.00487428|-0.00074007|0.00145186|-0.00267047|-0.00063756|-0.00593359|0.00893544|-0.00729351|0.00074339|0.01046131|-0.00039292|0.00044232|-0.00028113|-0.00010541|0.00009577|-0.00029368|-0.00000272|-0.00001214|-0.00000017|0.00000638|-0.00001075|0.00003932|-0.00000354|0.00000629|-0.00000767|0.00000331|-0.00001978|0.00001824|-0.00002526|0.00002614|-0.00001213|0.00000226|0.00000200|-0.00000343|-0.09023781|0.04592827|0.07228622|0.00930662|0.00604911|0.00269104|-0.27357010|-0.14126739|-0.04662151|-0.01969737|-0.02486842|-0.01020966|-0.00494569|0.00123788|0.00256727|0.00029068|0.00234200|0.00132711|0.00082808|0.00155274|0.00173621|-0.00035974|-0.00036417|-0.00035253|0.00042400|0.00005426|-0.00005434|-0.00017543|0.00013295|0.00009328|0.00000825|-0.00004962|-0.00001929|0.00002311|-0.00002515|-0.00001695|-0.00003696|-0.00000937|0.00000333|-0.00004543|0.00000571|0.00001251|-0.00003377|-0.00000056|0.00000299|0.00075653|-0.00026164|-0.00083298|0.28598713|-0.02890791|-0.01171825|-0.00521715|-0.14219724|-0.16778013|-0.04468311|0.01188984|0.01134534|0.00218089|0.00259811|0.00286673|-0.00394256|0.00165792|-0.00067634|-0.00101788|0.00178454|-0.00282379|-0.00589396|-0.00030091|-0.00011132|0.00081669|0.00012541|-0.00008445|0.00005104|-0.00001475|-0.00002543|-0.00000618|0.00000137|0.00003352|-0.00001688|0.00001213|0.00000324|0.00000172|0.00000594|0.00000414|-0.00001293|-0.00003941|0.00000035|-0.00000874|-0.00000693|-0.00000105|0.00000505|0.00072145|-0.00010815|0.00228049|0.15420265|0.17029576|-0.01609404|-0.00979564|0.00188076|-0.04712387|-0.04480481|-0.06787039|0.00954872|0.00699789|0.00689729|0.00329668|-0.00376705|0.00711460|0.00095828|-0.00110705|0.00009285|0.00185974|-0.00586371|0.00431428|-0.00031871|0.00082503|-0.00107244|-0.00001514|0.00006073|-0.00017553|0.00001364|-0.00002556|-0.00002592|0.00000815|-0.00001023|0.00005802|0.00000309|0.00000661|0.00000025|0.00001160|-0.00001091|0.00001936|-0.00001181|-0.00001473|0.00001987|-0.00000047|0.00000421|-0.00000642|-0.00030444|0.00240912|-0.00319292|0.04981483|0.05320835|0.05575963|-0.00659878|0.00077617|0.00247506|0.00191604|0.03033539|0.01764450|-0.07920996|0.05273462|0.03094550|-0.00002118|-0.03709747|-0.02019793|-0.00282595|-0.00333531|0.00015465|-0.00041757|-0.00098593|-0.00049253|-0.00041332|-0.00129495|-0.00066715|0.00081375|0.00002318|-0.00010101|-0.00015528|-0.00001269|0.00001415|0.00003776|0.00002427|0.00001563|-0.00003551|0.00000921|0.00000726|0.00002708|-0.00000057|-0.00000300|-0.00012331|0.00000655|0.00001872|-0.00000591|0.00000498|0.00000279|-0.00002397|0.00146701|0.00069324|0.00083687|-0.00026861|-0.00092940|0.08610448|0.00106021|0.00269061|-0.00358788|-0.00292195|-0.00140209|-0.00691538|0.04907942|-0.29582789|-0.13352444|-0.00397471|-0.01838790|-0.00826187|-0.00149046|0.00427166|-0.00398764|-0.00014107|0.00039310|0.00030049|-0.00113306|-0.00110470|-0.00033982|0.00097869|-0.00007034|-0.00014116|-0.00021216|0.00012128|0.00009109|0.00000482|-0.00000002|-0.00003176|-0.00001029|0.00001292|0.00001806|0.00002973|-0.00001086|-0.00001338|-0.00018622|-0.00002637|0.00001462|-0.00003181|0.00000225|0.00000813|-0.00004138|-0.00046270|0.00016032|0.00112935|-0.00076145|0.00221352|-0.04233169|0.31120031|0.00262806|-0.00355178|0.00685739|-0.00022325|-0.01127534|0.00615361|0.02897979|-0.13399391|-0.13508063|-0.00240219|-0.00392898|-0.00383992|0.00114674|-0.00374721|0.00989288|-0.00003847|0.00041171|0.00009451|-0.00058032|-0.00031807|-0.00029105|0.00041296|-0.00001535|-0.00011036|-0.00009285|0.00006439|0.00005106|0.00000528|-0.00003418|0.00003876|-0.00000327|0.00001545|-0.00000937|0.00001333|-0.00000935|-0.00000008|-0.00008494|-0.00001076|-0.00000258|-0.00001697|0.00000330|-0.00000110|-0.00011750|-0.00003722|-0.00075578|-0.00017837|0.00239723|-0.00384554|-0.02929300|0.15335570|0.12234437|0.00912928|-0.02911483|-0.01604077|-0.00499295|-0.00339176|0.00019032|-0.00203123|-0.00109172|-0.00033268|-0.00622239|0.00389992|0.00379451|0.00507277|0.03113938|0.01668818|-0.07381057|0.00985379|0.00844247|0.00254796|-0.00048429|-0.00099376|-0.00057907|-0.00015802|-0.00005887|0.00021431|0.00010286|0.00001970|0.00003567|-0.00010082|-0.00005438|-0.00004681|-0.00006348|-0.00003065|-0.00005991|-0.00000556|0.00001076|0.00017407|0.00014209|0.00004149|0.00003210|-0.00000648|-0.00000799|0.00100747|0.00075564|-0.00053217|0.00032364|-0.00126471|-0.00069830|0.00010812|0.00018666|-0.00015164|0.06892407|0.00398435|-0.00962667|-0.00899321|-0.00339194|0.00270921|-0.00367700|0.00032232|0.00108982|0.00059251|0.00166047|0.00173062|-0.00291650|-0.00518638|-0.00812441|-0.00621260|0.01341212|-0.31314275|-0.14330677|-0.00123169|0.00028447|0.00195809|0.00060149|0.00027491|0.00027319|-0.00011936|-0.00015064|-0.00003467|0.00001655|0.00006623|0.00001459|0.00000997|0.00001402|0.00001709|0.00004059|0.00000744|-0.00002537|-0.00003548|-0.00001114|0.00004860|-0.00000494|0.00000104|0.00000238|0.00001222|-0.00066100|0.00295171|0.00023787|-0.00047131|-0.00038087|0.00006046|-0.00049556|0.00070173|-0.01028813|0.32644469|0.00175121|-0.00465618|0.00340285|0.00019077|-0.00367654|0.00837456|0.00042597|0.00077739|0.00027076|0.00259079|-0.00320554|0.00468834|-0.00283466|-0.01097612|-0.00082739|0.01035101|-0.14284171|-0.12792558|-0.00139596|0.00186186|-0.00187635|0.00035088|0.00037246|-0.00022549|-0.00009957|-0.00006355|-0.00007828|0.00000879|0.00002982|0.00004997|0.00000880|0.00002681|-0.00000693|0.00003571|-0.00001927|0.00002961|-0.00005416|0.00002524|-0.00007234|-0.00000717|0.00000258|0.00000015|-0.00093146|0.00285384|-0.00449917|0.00010905|-0.00018420|0.00006616|-0.00021952|0.00068487|-0.00141893|-0.01021937|0.15900475|0.11993021|0.00035797|0.00057811|0.00026549|0.00052638|-0.00061886|-0.00035608|-0.00209389|-0.00055287|0.00006307|-0.00600287|-0.00246400|-0.00105118|0.00230126|0.00411529|0.00206460|-0.00094781|-0.00064278|-0.00017064|-0.00392792|-0.00243689|-0.00150971|0.02007216|0.01519053|0.00688399|-0.17748993|-0.14491064|-0.06221509|-0.01461261|-0.02709011|-0.01164908|-0.00434402|0.00038277|0.00188515|-0.00038377|0.00084013|0.00040629|-0.00211220|0.00285108|0.00278502|-0.00075900|-0.00032679|-0.00006818|0.00001841|-0.00002134|-0.00001934|0.00009545|-0.00000407|-0.00002242|0.00001757|0.00002793|0.00000124|0.00024855|-0.00008132|-0.00007250|0.18740712|-0.00000385|-0.00011134|-0.00006611|-0.00044484|-0.00010017|-0.00018140|-0.00026823|0.00133677|0.00040529|-0.00456667|-0.00280543|0.00119671|0.00221593|-0.00031456|-0.00108369|0.00003917|-0.00000393|-0.00021579|-0.00005604|0.00074547|0.00332941|-0.02201836|-0.01561956|-0.01103739|-0.13795459|-0.25650996|-0.08863304|0.00528790|0.00913695|0.00013240|0.00102945|0.00300767|-0.00304290|0.00120999|0.00009895|0.00028773|0.00268264|-0.00137550|-0.00506858|0.00032799|0.00006958|-0.00003762|-0.00000962|-0.00001235|0.00001705|-0.00009985|0.00000516|0.00004719|-0.00013653|-0.00017481|-0.00002916|-0.00001410|0.00001558|-0.00000500|0.15359337|0.26428311|-0.00004785|-0.00014323|-0.00005793|-0.00026373|-0.00015772|0.00029461|0.00021627|0.00044353|0.00085780|-0.00218089|0.00091673|-0.00312912|0.00103868|-0.00133211|0.00030458|0.00019688|-0.00012573|0.00029390|-0.00022740|0.00364302|-0.00343869|-0.01313185|-0.01593552|0.00344241|-0.05846485|-0.08771222|-0.09745367|0.00576222|0.00439098|0.00920151|0.00223231|-0.00295738|0.00652952|0.00060669|0.00033552|-0.00063069|0.00269255|-0.00509284|0.00429665|0.00028406|0.00004842|0.00004831|-0.00001308|0.00001852|-0.00002992|-0.00007396|0.00003468|-0.00002999|-0.00008695|-0.00005107|-0.00010269|-0.00003658|0.00000392|0.00003517|0.06307443|0.10099746|0.08494980|0.00004640|0.00010422|0.00004992|-0.00000028|-0.00011711|-0.00006444|-0.00009594|0.00009932|0.00006819|-0.00000423|-0.00034852|-0.00018286|0.00114229|0.00075648|0.00026528|-0.00024964|-0.00012638|-0.00003552|-0.00170534|0.00120164|0.00080262|-0.00518163|-0.00147927|0.00104683|-0.01111382|0.02978823|0.01867185|-0.12167926|0.09905151|0.06186934|0.01126209|-0.02099502|-0.01188677|-0.00213189|-0.00420501|-0.00103487|-0.00079358|-0.00047825|-0.00026181|0.00071097|-0.00097909|-0.00097465|-0.00001392|-0.00000949|-0.00000304|-0.00000941|-0.00000264|0.00000008|-0.00003640|-0.00002608|-0.00000715|0.00003134|-0.00001768|-0.00001273|0.00103710|0.00003329|-0.00088922|0.12810644|-0.00001742|-0.00002557|-0.00001149|0.00000345|0.00002011|0.00001667|0.00000511|-0.00000935|-0.00001474|0.00006414|0.00004445|-0.00000129|-0.00013003|-0.00012305|-0.00008132|0.00006164|0.00001063|-0.00000119|0.00029303|0.00009861|0.00029060|-0.00161645|0.00298699|-0.00292551|-0.00322456|0.00510891|-0.00166687|0.09508273|-0.25818486|-0.12102166|0.01451205|-0.01644330|-0.01439959|-0.00447435|-0.00117906|-0.00391900|-0.00057609|0.00053786|0.00081076|0.00038539|0.00008924|0.00144666|0.00000345|0.00000040|-0.00000116|0.00000275|0.00000192|-0.00000042|-0.00000312|0.00000932|-0.00000304|-0.00000348|0.00000118|-0.00000245|0.00053163|-0.00060610|0.00275491|-0.10154927|0.26861498|-0.00001550|-0.00002753|-0.00001272|0.00000031|0.00003259|0.00000575|0.00001766|-0.00002715|-0.00000009|0.00003908|0.00005296|0.00005444|-0.00021239|-0.00019791|-0.00001887|0.00006575|0.00002351|0.00000185|0.00031443|0.00017121|-0.00046232|0.00097279|-0.00294470|0.00710744|0.00090828|-0.00600782|0.00564213|0.05973720|-0.12154571|-0.12975989|0.00721635|-0.00972792|0.00058710|-0.00118082|-0.00395361|0.00522733|-0.00031352|0.00079864|-0.00035741|-0.00024044|0.00162599|-0.00178709|0.00000391|0.00000054|0.00000150|0.00000298|0.00000029|0.00000179|0.00000519|0.00000000|0.00001503|-0.00000513|-0.00000058|0.00000695|-0.00062166|0.00281931|-0.00425746|-0.06686139|0.13894713|0.11875647|0.00000719|0.00008132|0.00004399|-0.00001631|-0.00005086|-0.00002587|0.00000821|0.00005294|0.00003025|-0.00004659|-0.00021517|-0.00010999|0.00037892|0.00061543|0.00026138|-0.00021221|-0.00015598|-0.00005996|-0.00210391|-0.00145719|-0.00053555|-0.00385809|0.00132373|0.00247705|-0.00047952|0.00074203|0.00034393|-0.00054393|0.00285622|0.00251768|0.01149252|0.01537987|0.00761060|-0.17411633|-0.13610464|-0.05770517|-0.01599763|-0.03001214|-0.01290670|0.00095132|0.00129942|0.00024510|-0.00002128|-0.00001067|-0.00000210|-0.00000822|-0.00000263|-0.00000050|-0.00000956|-0.00001420|-0.00000614|0.00000646|-0.00000374|-0.00000160|-0.00000727|-0.00002212|-0.00013027|0.00067195|0.00058269|0.00023157|0.18294186|0.00001295|0.00001248|-0.00000012|-0.00000965|-0.00001467|-0.00000388|0.00000146|0.00002337|0.00000052|-0.00005299|-0.00004046|-0.00001321|0.00025282|0.00007792|0.00009324|-0.00003779|-0.00000405|0.00001861|-0.00017075|0.00006311|0.00016894|0.00118072|0.00291365|-0.00373202|0.00077149|0.00033218|0.00056159|0.00321699|-0.00166782|-0.00504018|-0.01981605|-0.01625171|-0.00960187|-0.13295244|-0.24336071|-0.08325510|0.00390423|0.00688641|-0.00145246|-0.00003553|0.00007111|0.00138801|-0.00000218|0.00000230|-0.00000191|-0.00000271|-0.00000090|0.00000052|0.00000225|-0.00000054|-0.00000156|0.00000200|0.00000215|-0.00000420|0.00003760|-0.00019729|0.00037702|-0.00081145|-0.00076825|-0.00033306|0.14438975|0.25251435|0.00000725|-0.00000910|0.00000373|-0.00000371|0.00000155|-0.00000378|0.00000261|-0.00000625|0.00001833|-0.00002267|0.00000807|0.00000444|0.00006557|0.00004563|-0.00014129|0.00000371|0.00003410|-0.00001156|0.00015716|0.00033801|-0.00004788|0.00240034|-0.00375033|0.00722750|0.00035922|0.00056593|-0.00064258|0.00271342|-0.00499195|0.00386968|-0.01132636|-0.01423560|0.00027236|-0.05600850|-0.08283705|-0.09331392|0.00533948|0.00300810|0.00954865|-0.00047286|0.00121254|-0.00178560|0.00000246|-0.00000079|0.00000562|-0.00000053|0.00000051|-0.00000086|0.00000270|0.00000060|0.00000178|0.00000146|-0.00000343|0.00000742|-0.00009830|0.00038478|-0.00068735|-0.00051850|-0.00051656|-0.00016042|0.05823758|0.09797828|0.08015748|-0.00008075|-0.00008057|-0.00002589|-0.00003443|0.00010097|0.00005878|0.00008633|0.00002232|0.00001236|-0.00002521|0.00024041|0.00011102|-0.00011280|-0.00032604|-0.00019466|0.00024096|-0.00002617|-0.00005186|0.00169821|0.00102916|-0.00032256|0.01252970|-0.01938302|-0.01093881|-0.00268356|-0.00371482|-0.00081780|-0.00091218|-0.00062878|-0.00031119|-0.00474326|-0.00081019|0.00131846|-0.00925101|0.03023905|0.01837312|-0.12793691|0.10278129|0.06543791|-0.00097814|0.00044942|0.00037911|0.00000749|0.00000114|-0.00000027|0.00000176|0.00001046|0.00000428|0.00001503|0.00001826|0.00000867|-0.00011288|0.00000226|0.00002571|0.00059934|-0.00082493|-0.00055744|0.00000677|0.00006671|-0.00006467|0.00096240|0.00011928|-0.00084151|0.13072313|-0.00011819|-0.00009415|-0.00006309|-0.00003945|0.00011957|0.00006931|0.00007591|0.00002408|-0.00004495|0.00006008|0.00027053|0.00022690|-0.00086710|-0.00026717|0.00010932|0.00022625|0.00000531|-0.00000134|0.00266538|0.00124710|0.00299015|0.01653092|-0.01627373|-0.01558549|-0.00454288|-0.00151379|-0.00360068|-0.00110337|0.00030593|0.00068926|-0.00117790|0.00320264|-0.00274661|-0.00318822|0.00576883|-0.00010741|0.09908272|-0.25473519|-0.12273609|-0.00009154|0.00001595|-0.00001467|0.00000641|0.00000059|-0.00000095|0.00000159|0.00000639|0.00000780|0.00002277|0.00002380|0.00000639|-0.00009495|0.00004212|-0.00000485|0.00100123|-0.00086822|-0.00045687|0.00011056|-0.00018507|0.00029382|0.00072596|-0.00059263|0.00277296|-0.10928621|0.26349712|-0.00004634|-0.00006799|0.00002140|-0.00001673|0.00005107|0.00002981|0.00004128|-0.00003781|0.00006328|0.00001403|0.00020259|-0.00005809|-0.00048667|0.00003836|-0.00017452|0.00008384|0.00003149|-0.00004145|0.00055793|0.00320614|-0.00331170|0.00838537|-0.01086138|0.00170726|-0.00126338|-0.00370998|0.00446133|-0.00056688|0.00062655|-0.00029413|0.00112100|-0.00279517|0.00694527|0.00038898|-0.00450337|0.00427301|0.06344726|-0.12322329|-0.12545644|0.00008805|-0.00008585|0.00000788|0.00000254|-0.00000028|0.00000032|-0.00000049|0.00000664|-0.00000485|0.00001111|0.00000700|0.00000864|-0.00002660|-0.00001756|0.00006832|0.00042490|-0.00021665|-0.00043676|-0.00004116|0.00029957|-0.00059154|-0.00051528|0.00285286|-0.00432175|-0.07160276|0.13819707|0.11710470| 296.96099 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 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 30.0520 40.9429 88.1820 117.1605 198.8840 223.3562 256.8322 357.5320 371.4809 409.7747 485.8587 492.6593 599.0905 610.4091 678.9403 697.1513 722.6392 741.3425 855.9448 857.7601 868.8665 925.4242 985.4400 991.8745 1030.5869 1043.2670 1092.3767 1132.5955 1137.9245 1162.5866 1174.5896 1175.6104 1203.3965 1212.5659 1224.8940 1230.4020 1240.7325 1271.1419 1322.0924 1334.3945 1350.4889 1435.0008 1472.7370 1488.2686 1557.2264 1601.3368 1649.6770 1672.8155 1730.7769 1740.5818 1757.4788 1774.9169 3375.3745 3387.3042 3388.7238 3389.7341 3408.8531 3410.1632 3429.0992 3475.4823 6.0463 4.0401 7.1955 8.1843 10.8156 7.1311 5.4912 4.5993 7.0906 6.8397 2.9411 3.2399 2.6674 2.6878 8.1919 7.6908 7.4157 7.6681 6.8745 2.6797 1.8493 1.8833 6.3301 1.3676 1.4233 1.4092 6.8527 2.3305 4.3235 1.4082 1.4795 3.0808 1.4485 1.4480 1.8678 1.8119 3.2774 5.1690 1.6750 1.3278 2.2118 1.5687 3.4987 1.3878 2.2248 1.9005 2.0953 2.0451 5.7070 6.1470 4.5281 4.8224 1.0899 1.0910 1.0895 1.0918 1.0954 1.0978 1.0953 1.0921 0.0032 0.0040 0.0330 0.0662 0.2521 0.2096 0.2134 0.3464 0.5765 0.6767 0.4091 0.4633 0.5641 0.5900 2.2248 2.2023 2.2816 2.4830 2.9674 1.1616 0.8225 0.9503 3.6218 0.7927 0.8907 0.9037 4.8179 1.7613 3.2985 1.1214 1.2026 2.5087 1.2359 1.2544 1.6511 1.6161 2.9726 4.9209 1.7250 1.3930 2.3768 1.9032 4.4711 1.8111 3.1787 2.8713 3.3596 3.3717 10.0726 10.9723 8.2403 8.9510 7.3162 7.3755 7.3711 7.3917 7.4994 7.5217 7.5880 7.7722 1.8210 0.5841 0.8329 2.1286 0.1406 2.0231 0.0183 0.5218 8.7413 3.8719 1.1588 3.9065 4.9660 15.8765 2.4868 2.2310 3.1344 6.7960 7.4824 1.3368 12.7097 105.1793 34.2292 34.2084 61.8887 21.9424 10.1329 2.1364 35.2760 1.5367 1.2367 17.4523 1.5469 8.2772 2.0152 9.7179 32.6926 16.7992 62.7629 2.2706 50.4889 10.3489 722.6015 72.1327 19.1000 249.8553 249.6601 361.0831 44.7715 40.6441 206.3427 17.4137 4.9381 9.4009 1.0389 2.0897 3.3357 13.6677 0.0415 11.3165 2.2333 0.9891 0.8420 1.6372 5.7405 4.0104 6.5585 1.6966 1.5459 4.2925 0.1566 0.5168 1.5532 0.0263 5.2546 3.4649 16.6802 7.9601 31.7190 0.9842 3.4078 0.4646 0.8478 3.5052 1.6440 1.7434 34.2916 1.6667 3.2216 0.9532 1.5679 6.5425 1.1475 1.4249 2.1114 3.0726 36.9783 6.1431 31.7991 19.4274 18.2883 5.7218 5.4084 0.4539 0.4951 4.2704 0.2235 7.5672 1.3565 33.0134 20.9434 81.3005 84.4585 67.1503 43.3904 43.5382 120.6999 157.1803 105.7803 71.5947 0.7500 0.7500 0.6192 0.7500 0.2748 0.3876 0.7500 0.7361 0.7500 0.5516 0.7500 0.7500 0.7500 0.7499 0.2855 0.6373 0.4149 0.4417 0.1530 0.7500 0.7500 0.7500 0.4911 0.7500 0.7500 0.7500 0.1856 0.2416 0.7203 0.7500 0.7500 0.3811 0.7500 0.7500 0.4462 0.2311 0.2055 0.1460 0.1504 0.1265 0.1572 0.7407 0.1976 0.6446 0.2390 0.3845 0.6461 0.3080 0.7491 0.6912 0.7346 0.4414 0.4984 0.7498 0.6977 0.3794 0.1905 0.1707 0.1694 0.2206 0.8571 0.8571 0.7648 0.8571 0.4311 0.5587 0.8571 0.8480 0.8571 0.7110 0.8571 0.8571 0.8571 0.8571 0.4441 0.7784 0.5865 0.6127 0.2655 0.8571 0.8571 0.8571 0.6587 0.8571 0.8571 0.8571 0.3131 0.3892 0.8374 0.8571 0.8571 0.5519 0.8571 0.8571 0.6171 0.3754 0.3409 0.2548 0.2615 0.2246 0.2717 0.8511 0.3300 0.7839 0.3858 0.5554 0.7850 0.4710 0.8566 0.8174 0.8470 0.6124 0.6652 0.8570 0.8220 0.5501 0.3200 0.2916 0.2897 0.3614

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 6 6 6 7 6 6 8 6 6 6 6 6 6 53 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 126.90040 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783

764.3182 13428.7795 14193.0974 0.99997 -0.00729 -0.00001 0.00729 0.99997 -0.00002 0.00001 0.00002 1.00000 1 0.11332 0.00645 0.00610 2.36124 0.13439 0.12716 43.24 58.91 126.87 168.57 286.15 321.36 369.52 514.41 534.48 589.57 699.04 708.83 861.96 878.24 976.84 1003.05 1039.72 1066.63 1231.51 1234.13 1250.11 1331.48 1417.83 1427.09 1482.78 1501.03 1571.69 1629.55 1637.22 1672.70 1689.97 1691.44 1731.42 1744.61 1762.35 1770.27 1785.14 1828.89 1902.20 1919.90 1943.05 2064.65 2118.94 2141.29 2240.50 2303.97 2373.52 2406.81 2490.20 2504.31 2528.62 2553.71 4856.41 4873.58 4875.62 4877.07 4904.58 4906.46 4933.71 5000.44 0.177908 0.188361 0.189305 0.137904 -7435.113050 -7435.102598 -7435.101654 -7435.153054 1.723964D-04 MUNgauss RevisionA2.1 retrievium 01-Jul-2021 DUDE c1ccnc(c1)Oc2ccc(cc2)I C42205770 RHF 3-21G (6D,10F) C1 296.960989 |X|Y|Z| 22.592133 9.089413 80.938299

25.520101 13 6 7 8 11 1 1

|36.858105| |13.649068|36.858105| |8.035991|13.897685|36.858105| |6.937627|8.014636|14.204216|53.358707| |8.046536|7.021486|8.343677|19.849572|36.858105| |13.896119|7.961123|7.008367|10.926242|13.661679|36.858105| |5.322937|4.677155|5.370148|11.126860|13.996307|8.183199|73.516695| |3.929744|3.726063|4.440611|8.787278|7.635312|5.181462|24.452615|36.858105| |3.532334|3.595005|4.542846|8.853632|6.175701|4.279605|13.742087|13.803992|36.858105| |2.809996|2.863429|3.469795|6.063881|4.270381|3.277638|9.157295|7.982381|13.739657|36.858105| |2.519164|2.493146|2.891399|4.894677|3.667252|2.959346|8.173056|6.890931|7.928905|13.828832|36.858105| |2.653790|2.537102|2.865946|4.885898|3.916375|3.216049|9.394215|7.950737|6.869205|7.974939|13.763920|36.858105| |3.232626|3.001239|3.383506|6.028650|5.223465|4.141254|14.595222|13.748924|7.947025|6.918768|7.971621|13.829318|36.858105| |1.968380|1.967546|2.227012|3.546040|2.604930|2.222488|5.394167|3.887672|4.345504|6.206352|8.920195|6.202733|4.357633|6874.357145| |17.783889|8.881344|5.690553|6.792921|5.690458|8.983766|7.618738|3.299146|2.969237|2.442498|2.235613|2.368259|2.835984|139.581441|0.500000| |8.844307|17.815943|8.956443|7.761114|5.037127|5.655040|6.586115|3.092067|3.040071|2.508628|2.205655|2.226442|2.570383|139.618487|0.212550|0.500000| |5.674316|8.929797|17.815705|12.644292|5.904596|5.031206|7.733269|3.892383|4.229299|3.360346|2.763980|2.664214|3.036262|170.352260|0.124278|0.213705|0.500000| |8.872063|5.634258|5.034309|7.814407|8.940904|17.847070|13.459871|4.895478|3.874903|3.070070|2.877179|3.231357|4.212942|169.973754|0.212715|0.123547|0.109080|0.500000| |3.848296|4.131148|5.633118|11.455398|6.677291|4.491262|12.389099|8.978692|17.907138|8.914969|5.655231|4.964742|5.669233|285.600725|0.088011|0.096161|0.149538|0.107710|0.500000| |2.585184|2.700264|3.290200|5.501633|3.701687|2.915708|7.399809|5.684626|8.976475|17.803169|8.950125|5.666891|4.982499|474.660686|0.062846|0.066841|0.091687|0.075189|0.215996|0.500000| |2.377389|2.255542|2.490537|4.110499|3.307540|2.839571|7.624363|5.664866|4.957114|5.667210|8.919210|17.807962|8.979166|474.163941|0.059999|0.055676|0.064599|0.080833|0.107844|0.124471|0.500000| |3.259501|2.921636|3.169779|5.470864|4.978666|4.247049|13.674363|9.000476|5.678017|4.983732|5.657447|8.915113|17.815870|285.461932|0.080907|0.069736|0.078046|0.127168|0.125140|0.108162|0.215039|0.500000| 7415.337221 -20007.664085 4212.620662 -248.122639 -8627.828841 1192.537884 -7435.290957 2.002691 3D02000000000002 4241D1A806200000 41D00FEA634481CE 40ECB80000000001 3BD79CA100000000 4209C1E7D4DFFFFE