Version2.5 2022-11-02T23:00:35Z 10.1021/ja902302h Gaussian16 RevisionB.01 DOC1ROB 23-Oct-2022 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) GDB_13 Smiles: CC1(C)CN1N1C=NC=C1C#N RHF 6-31G(d) (6D,7F) CC1(C)CN1N1C=NC=C1C#N C1[X(C8H10N4)] 60 C1 200 CC1(C)CN1N1C=NC=C1C#N N#Cc1cncn1N1CC1(C)C CC1(C)CN1n2cncc2C#N InChIKey=JKPODHZHWPGGQJ-UHFFFAOYSA-N InChI=1S/C8H10N4/c1-8(2)5-12(8)11-6-10-4-7(11)3-9/h4,6H,5H2,1-2H3 InChI=1/C8H10N4/c1-8(2)5-12(8)11-6-10-4-7(11)3-9/h4,6H,5H2,1-2H3 CC1(C)CN1N1C=NC=C1C#N C01[X(C8H10N4)] 60 C1 200 CC1(C)CN1N1C=NC=C1C#N NC[C@@H]1CNC[N@]1[N@@]1CC1(C)C CC1(C)CN1N2CNC[C@H]2CN InChIKey=HFTZEKGQXVTHCX-JMCQJSRRSA-N InChI=1S/C8H18N4/c1-8(2)5-12(8)11-6-10-4-7(11)3-9/h7,10H,3-6,9H2,1-2H3/t7-,12-/m1/s1 InChI=1/C8H18N4/c1-8(2)5-12(8)11-6-10-4-7(11)3-9/h7,10H,3-6,9H2,1-2H3/t7-,12-/m1/s1 5.258540746715D+02 -2.608407499245D+03 690.2756661734 -526.4692648 1-A 1858.5130 43 157 200 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -15.68073 -15.63514 -15.57935 -15.56365 -11.31679 -11.30113 -11.29942 -11.28746 -11.28468 -11.27573 -11.24071 -11.23098 -1.42390 -1.31802 -1.23356 -1.18833 -1.06721 -1.03477 -0.96801 -0.94660 -0.87284 -0.83259 -0.81696 -0.73954 -0.69465 -0.69327 -0.66692 -0.63674 -0.61852 -0.60136 -0.59204 -0.56679 -0.56093 -0.55767 -0.52926 -0.50989 -0.50597 -0.49989 -0.48236 -0.46354 -0.44335 -0.36772 -0.33925 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.12184 0.19357 0.20060 0.21915 0.24337 0.25358 0.26175 0.26862 0.28467 0.29490 0.29615 0.30758 0.33142 0.33471 0.33741 0.35163 0.36957 0.39015 0.40473 0.42095 0.45010 0.45921 0.49508 0.51077 0.55999 0.57946 0.63400 0.66492 0.69221 0.70514 0.72336 0.73047 0.76142 0.77138 0.78610 0.78999 0.81408 0.83071 0.84067 0.86616 0.88319 0.88909 0.89939 0.91288 0.93576 0.94246 0.95481 0.97517 1.00251 1.00982 1.02648 1.03570 1.04422 1.05606 1.07939 1.08953 1.10368 1.10968 1.12414 1.13458 1.15761 1.17380 1.18361 1.19704 1.21192 1.22919 1.23336 1.23635 1.25647 1.26778 1.29089 1.31549 1.39123 1.40794 1.46481 1.48863 1.52511 1.54357 1.56844 1.57848 1.66279 1.68835 1.70540 1.71889 1.73366 1.75517 1.76306 1.78249 1.81882 1.83127 1.84735 1.85217 1.93850 1.98047 2.02001 2.03957 2.06488 2.09237 2.11261 2.15030 2.19322 2.22223 2.24481 2.26549 2.27961 2.30682 2.33266 2.34509 2.37410 2.38907 2.39885 2.45580 2.46820 2.48220 2.52289 2.53881 2.56481 2.56947 2.60631 2.62112 2.63216 2.65829 2.68114 2.69664 2.73713 2.73993 2.76976 2.87580 2.88114 2.92534 2.94679 2.94865 3.01354 3.08463 3.11602 3.14762 3.17192 3.18625 3.25177 3.27103 3.30227 3.38549 3.50034 3.62413 3.83731 4.39703 4.42096 4.51542 4.59798 4.61468 4.63906 4.66690 4.71254 4.78703 4.82474 5.01651 5.31117

12.54680 3.0954 -3.7180 1.1504 4.9728 |XX|YY|ZZ|XY|XZ|YZ| -70.5767 -78.5065 -72.1353 -7.1727 0.8575 2.7077

|XX|YY|ZZ|XY|XZ|YZ| 3.1628 -4.7670 1.6042 -7.1727 0.8575 2.7077

|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| 29.9695 -65.1853 2.0955 9.8313 23.2419 -0.8719 5.2553 -2.0470 0.3344 -1.9689

0 |0.65201411|0.01038254|0.66831499|0.01131994|0.01195421|0.56088153|-0.10403877|-0.01335584|0.03517862|0.43225082|-0.01130440|-0.10173242|0.02054443|0.14147473|0.60993133|0.04215541|0.02113691|-0.22642232|-0.03674772|0.07791224|0.68406624|-0.00140174|-0.00711271|0.00478756|-0.12931017|-0.06239797|0.02101094|0.62388641|-0.00306057|-0.00266335|0.00483976|-0.07070485|-0.20131775|0.02456149|-0.03968938|0.59355491|0.02175645|0.03158921|-0.00479448|0.02491219|0.02984529|-0.10501183|0.00506083|0.01204050|0.67282336|-0.00861963|0.00780466|0.00006397|-0.03041729|0.01242135|0.04273842|0.00906893|-0.01631744|-0.00819335|0.48636288|-0.00316511|0.00643717|-0.00069649|-0.02252146|-0.21771456|-0.11862957|0.01630161|-0.02603797|-0.01196239|-0.02045576|0.74886187|0.01866422|-0.03267938|-0.01517250|0.01421592|-0.10053945|-0.16011248|-0.01006164|0.00589016|0.00315943|-0.23859394|-0.02870242|0.57982275|0.00580538|0.00231467|-0.00143855|-0.12672727|-0.05168404|-0.08482624|-0.02602498|-0.00040484|-0.01755518|-0.17979218|0.12951670|0.01066562|0.65056829|0.00240335|-0.00379985|-0.00278289|-0.02263551|-0.03075111|-0.03276038|-0.02762709|0.00341834|-0.01388848|0.04272737|-0.15896745|0.04472185|0.02124739|0.34395233|-0.04508605|0.00621299|-0.01980870|-0.02699775|-0.00774304|-0.17493119|0.00448226|-0.00667269|0.00093407|0.00245498|0.02638244|-0.01821042|-0.01172713|-0.01653999|0.29438724|0.00383643|-0.00015845|0.00066813|-0.02988100|-0.00451584|0.00408964|-0.00203338|0.00310647|-0.00073741|-0.03298514|-0.01568210|0.01074288|-0.27298352|-0.05282827|0.06707016|0.87994550|0.00227902|0.00216118|0.00222357|-0.01323283|-0.02007504|0.02193562|-0.00776830|0.00325959|-0.00538456|0.03696202|0.01750974|-0.01780499|-0.09022207|-0.15541964|-0.00149033|0.11494463|0.78030826|0.00083676|0.00109531|-0.00125817|-0.02332545|-0.00993590|0.02067875|-0.00474337|0.00209644|-0.00262622|0.00078596|0.00984676|-0.01671545|0.09805874|0.00162930|-0.08189645|-0.18716628|0.11836238|0.23183735|0.00113282|-0.00072489|-0.00037772|-0.00219650|-0.00752627|0.00348920|-0.00148450|-0.00018461|-0.00096667|0.00061497|-0.00157746|0.00063123|-0.00986595|-0.02221313|-0.01869098|-0.16270173|-0.06223056|0.02412443|0.84571339|0.00111690|-0.00138377|-0.00058499|-0.00051875|0.00095782|-0.00195667|0.00176882|-0.00192842|0.00080922|-0.00401206|0.00330798|-0.00315001|-0.00242848|0.00710862|0.00736445|-0.08195390|-0.34957806|-0.04645287|-0.12082407|0.85004895|0.00012794|-0.00082325|0.00053258|-0.00308852|-0.00004684|-0.00214729|0.00056580|-0.00012969|0.00023157|-0.00224350|0.00068899|0.00097047|0.00613156|0.01812942|-0.00466304|0.00584798|-0.06399175|-0.09469788|-0.21504727|0.20788894|0.29454332|-0.00111474|0.00067651|0.00097961|0.00215733|0.00149138|0.00369423|-0.00077855|0.00129267|-0.00087366|0.00273247|-0.00094048|-0.00102153|-0.00579711|-0.01145875|0.00422048|-0.08805325|-0.09864048|-0.00653076|-0.44246109|-0.00671174|0.09638195|0.66150627|0.00035399|-0.00058383|-0.00031236|-0.00020039|-0.00293196|0.00147178|-0.00065659|-0.00007253|-0.00036934|0.00085234|0.00091220|0.00095981|0.00313057|0.00061196|-0.01152050|-0.01408692|-0.02091580|0.00537413|-0.01930038|-0.13416271|-0.00850127|0.03805856|0.55048738|0.00056554|0.00006332|-0.00055498|0.00032128|-0.00015583|-0.00093766|0.00041554|-0.00063565|0.00031697|-0.00023266|0.00064161|-0.00022385|0.00404499|-0.00021830|0.00640693|0.02327944|0.01708157|0.02641471|0.08687936|-0.00988474|-0.12112751|-0.13274881|0.09457800|0.18079399|-0.00060702|0.00000799|0.00032904|0.00140837|0.00114389|0.00046461|-0.00008335|0.00046212|-0.00015885|-0.00039475|-0.00217493|0.00153498|-0.00472535|0.00345770|0.00310987|-0.09131153|0.02650847|0.02983748|-0.04844329|0.03779629|0.02580228|-0.13872437|0.03753063|0.02364999|0.97032264|-0.00068284|0.00085504|0.00080160|0.00050439|0.00181821|0.00132162|-0.00042552|0.00081009|-0.00029362|0.00201493|-0.00102002|-0.00155845|-0.00564653|-0.01399819|0.00575574|-0.03755125|-0.00774732|-0.01142842|0.12140910|-0.00119220|-0.03029323|0.02353200|-0.31782546|-0.06287511|-0.00702721|0.65006127|-0.00009678|-0.00002836|0.00011802|0.00034288|0.00012179|0.00030540|-0.00011446|0.00013119|-0.00005512|0.00073671|-0.00025379|0.00029226|0.00061965|-0.00429661|0.00062455|0.01666581|-0.01281351|0.00650212|0.04515476|-0.01246899|-0.00332240|0.02014896|-0.06726181|-0.10666567|-0.21470747|0.11797421|0.25829173|0.00084484|-0.00093962|-0.00063199|-0.00335272|0.00119316|-0.00185992|0.00080058|-0.00099777|0.00061319|-0.00309343|-0.00130299|0.00187688|-0.01908477|0.02404471|0.00562099|-0.22686670|0.07672005|0.07098068|-0.01596434|0.03861354|0.01327997|0.02707898|-0.06930082|-0.01743180|-0.34089148|-0.13825170|0.03705386|0.67386717|-0.00053061|0.00009562|-0.00003238|0.00285880|0.00073488|0.00028440|-0.00023854|0.00064957|-0.00005220|-0.00263721|-0.00348605|0.00458019|-0.01145420|0.02533427|0.00416702|0.07909667|-0.18564258|-0.04401976|-0.02807122|-0.10658316|-0.01979752|0.03220072|-0.08638594|-0.03570230|-0.15850219|-0.19657423|0.01496927|0.12635873|0.90041988|-0.00041451|0.00042997|-0.00008873|-0.00118396|0.00061486|0.00121986|-0.00023668|0.00019139|-0.00010568|-0.00205924|0.00079875|-0.00091665|0.00765308|-0.00402565|-0.00564334|0.06168673|-0.03899372|-0.09142294|-0.00109519|-0.04301771|0.00867828|0.00882773|-0.01138044|0.01667094|0.03308367|0.01341745|-0.08624943|-0.11307134|0.14515302|0.20394777|-0.00030725|0.00042680|-0.00025319|-0.00153212|0.00043200|-0.00043740|-0.00014154|-0.00004182|-0.00004375|0.00009860|-0.00043870|-0.00002402|0.00161676|0.00078148|-0.00030660|0.01267210|0.03390439|0.00350420|-0.00844300|0.00308089|0.00347913|-0.00484814|-0.00814056|0.00179757|0.01309853|-0.02641329|-0.01076567|-0.10234684|-0.03856918|0.00248721|0.15284334|-0.00018931|0.00089208|0.00077478|0.00045152|0.00139745|0.00017447|-0.00012423|0.00089900|0.00023735|0.00017901|-0.00060924|0.00028344|-0.00218251|-0.00046315|0.00069617|0.00409107|-0.04599782|-0.01025454|0.01835959|0.01440288|-0.00219212|-0.02067934|0.00979991|0.00576003|-0.01067200|-0.04383799|-0.00757019|-0.02048286|-0.33151933|-0.06049991|0.19564537|1.81311415|-0.00040263|0.00045439|0.00020786|0.00025763|0.00002780|0.00068529|-0.00009332|0.00017106|-0.00006095|0.00044753|0.00006979|-0.00026975|-0.00230990|0.00038910|-0.00023400|-0.00412750|-0.01768760|-0.01064029|0.00711583|0.00139317|0.00117279|-0.00086354|0.00228336|0.01040383|-0.00731658|-0.00281189|-0.00223430|0.00777597|-0.05706712|-0.07015522|0.03881902|0.37951888|0.18923794|0.00018513|-0.00044570|-0.00043502|0.00027376|-0.00065133|0.00012268|0.00013184|-0.00066657|-0.00029014|-0.00000573|0.00042206|-0.00018345|-0.00035935|0.00022270|0.00010043|-0.00300235|-0.00255464|0.00080400|0.00029917|-0.00176465|-0.00061042|0.00206538|0.00035266|-0.00088755|-0.00118479|0.00338861|0.00174848|0.02243251|-0.00582090|-0.00212313|-0.06265940|-0.16413758|-0.03820444|0.04231872|0.00013672|-0.00045706|-0.00029819|-0.00030017|-0.00068617|-0.00029756|0.00008067|-0.00065776|-0.00011057|-0.00020190|0.00049775|-0.00019776|0.00054307|0.00011481|0.00017846|-0.00615991|0.01008924|0.00328271|-0.00778316|-0.00810317|0.00023843|0.00855854|-0.00707054|-0.00359319|0.01012834|0.01298575|0.00012789|-0.01242206|-0.02901713|-0.00891068|-0.16229470|-1.41530648|-0.30607927|0.16993978|1.43636188|0.00018076|-0.00064579|-0.00059819|-0.00025844|0.00011864|-0.00063514|0.00008065|-0.00009816|0.00011852|-0.00038028|-0.00003619|0.00003899|0.00065040|-0.00048804|0.00025487|0.00007546|0.00276238|0.00338260|-0.00222693|-0.00158865|-0.00021033|0.00126924|-0.00155255|-0.00237642|0.00354537|0.00191013|0.00168553|-0.00393260|-0.01009680|0.01806670|-0.03777878|-0.30600000|-0.11662492|0.03906342|0.31485624|0.09651971|-0.12610608|0.10920349|0.05296316|-0.00327103|0.00542843|0.00220992|-0.00011389|0.00064498|-0.00029094|0.00018865|-0.00149730|0.00006898|0.00091326|-0.00040337|0.00054769|0.00035201|-0.00008083|0.00036891|-0.00013517|-0.00009188|-0.00003410|0.00016234|0.00011058|-0.00007646|-0.00006638|-0.00001616|0.00001094|-0.00028294|0.00017117|-0.00008207|-0.00075648|0.00029613|-0.00081751|-0.00019647|-0.00003475|0.00002943|0.13009025|0.10994869|-0.24527097|-0.08659001|-0.00471288|0.00645624|0.00206790|-0.00030732|0.00068544|0.00000611|0.00005118|0.00024382|0.00204767|-0.00015432|0.00010020|-0.00131020|-0.00006336|-0.00043329|-0.00020124|0.00035256|0.00041833|-0.00007573|-0.00035591|0.00030067|0.00012574|-0.00022622|-0.00046427|0.00005872|0.00018600|0.00002551|0.00000199|0.00032556|-0.00007815|0.00006440|0.00021018|-0.00000237|0.00032157|-0.12209488|0.26066989|0.05175172|-0.08360302|-0.09948818|0.01824835|-0.03310517|-0.01507016|-0.00080236|-0.00115312|0.00133333|0.00415815|0.00273275|-0.00659302|-0.00029891|0.00013363|0.00302352|-0.00057186|-0.00043323|-0.00046244|0.00046971|0.00051311|0.00004600|-0.00059404|0.00041436|0.00023686|-0.00037840|-0.00051296|0.00004811|-0.00023667|-0.00014021|-0.00021867|-0.00064831|-0.00074546|-0.00067586|0.00054026|0.00042290|0.00041423|-0.05848516|0.09378986|0.10728787|-0.15202158|-0.13568983|0.02423382|-0.00524967|-0.00481247|-0.00049662|0.00027646|0.00065653|0.00173998|0.00028494|-0.00087608|-0.00030353|-0.00012751|0.00010326|0.00048718|-0.00110232|0.00052364|-0.00238309|0.00019140|0.00010389|-0.00045522|-0.00005487|0.00002417|0.00011890|-0.00004086|-0.00002042|0.00011842|0.00003821|0.00009197|-0.00042670|0.00001704|0.00013734|0.00001747|-0.00005627|-0.00004689|-0.00004479|0.01321064|0.01550076|-0.00379537|0.16058056|-0.13543752|-0.25486564|0.03252532|-0.00065333|-0.00425262|-0.00035907|0.00010043|0.00108857|0.00139951|0.00043851|0.00043832|-0.00069639|-0.00043779|-0.00036317|0.00093101|-0.00164239|0.00043044|-0.00208575|0.00047343|0.00091135|0.00007837|-0.00017008|0.00005248|0.00007741|0.00008383|-0.00005613|0.00004719|0.00069825|-0.00055690|-0.00041599|-0.00003293|-0.00059252|0.00012372|0.00025622|0.00027007|0.00008969|-0.01761351|-0.02180092|0.00416149|0.15070774|0.27197561|0.02140390|0.02831736|-0.06549689|0.02278998|0.03197071|-0.00207376|-0.00001792|-0.00107587|-0.00760053|0.00122245|0.00109117|0.00147777|-0.00045209|0.00118312|0.00186336|-0.00136817|-0.00042700|-0.00071129|-0.00081657|-0.00050175|-0.00038845|0.00003359|-0.00001149|0.00001081|-0.00002070|-0.00008401|-0.00004387|-0.00020603|0.00014779|-0.00019277|0.00004603|0.00014615|0.00000155|-0.00001534|-0.00013197|0.00002439|-0.00972711|-0.01054462|0.00204373|-0.02442484|-0.03321517|0.06804342|-0.26982431|0.03057305|-0.12541326|0.00878771|-0.00125248|0.00553263|-0.00019638|-0.00018014|-0.00018053|0.00061160|-0.00052877|-0.00158484|0.00076708|-0.00044072|0.00449896|-0.00059024|0.00023253|-0.00082380|0.00009935|0.00018932|0.00019241|0.00008459|-0.00022911|-0.00010516|0.00023151|0.00027231|-0.00001278|0.00013975|-0.00022141|-0.00015739|0.00005858|0.00003247|0.00019509|-0.00010729|-0.00001026|-0.00014768|-0.01431379|0.00121444|-0.00828971|-0.01662019|0.00331295|-0.00962787|0.29041504|0.03036406|-0.06269896|0.01830764|0.00466060|-0.00124334|0.00231055|0.00042537|-0.00006232|-0.00008041|-0.00065636|0.00036572|0.00023253|-0.00118216|-0.00000304|0.00072199|-0.00015600|-0.00018428|-0.00129070|0.00038072|0.00048558|0.00027422|-0.00019960|0.00012182|0.00000955|0.00000259|-0.00020026|0.00001935|0.00016555|-0.00010566|-0.00013438|-0.00006993|-0.00043008|-0.00011080|0.00021365|0.00018260|0.00022350|0.02617730|-0.00216354|0.01703751|-0.02667520|0.00617984|-0.01737095|-0.03292575|0.05969440|-0.12332589|0.01862548|-0.13056286|-0.03475615|0.00320528|-0.01877408|-0.00060461|-0.00055497|0.00117690|-0.00086071|-0.00031187|0.00281841|0.00216590|0.00183973|-0.00959363|0.00164287|0.00004559|0.00112101|0.00054931|0.00071830|0.00005640|-0.00077451|0.00028323|0.00028187|-0.00039841|-0.00054496|-0.00006099|0.00058023|-0.00024409|0.00007029|-0.00000958|-0.00018138|-0.00017742|0.00009763|0.00014865|0.00015910|0.01306851|-0.00016589|0.00893070|0.00528669|-0.00206004|0.00325632|0.13594210|-0.02051083|0.14135992|0.00016569|0.00070618|-0.00084095|-0.01612461|0.00458983|-0.01030445|-0.28016125|0.01530749|-0.11619075|0.00047108|-0.00045775|-0.00028037|-0.00173222|-0.00224088|0.00186081|-0.00011986|-0.00172544|-0.00075985|-0.00001130|0.00067870|0.00008001|-0.00053195|-0.00011428|0.00017845|-0.00009082|-0.00021692|-0.00005086|0.00048366|-0.00017718|-0.00007021|0.00003632|0.00010292|-0.00003082|-0.00015161|-0.00000828|0.00007333|-0.00008242|-0.00002862|-0.00001947|0.00040621|-0.00009707|0.00019290|0.00039141|-0.00042902|0.00090681|0.30298908|0.00060042|0.00084351|-0.00057842|-0.02727474|0.00484103|-0.01694985|0.01764174|-0.06175972|0.01062845|0.00133204|0.00227995|-0.00034318|-0.00566159|-0.00341939|0.00201464|-0.00091936|-0.00281164|-0.00157062|-0.00014500|0.00099627|0.00013007|-0.00073998|-0.00001761|0.00032627|-0.00022953|-0.00043648|-0.00007792|0.00050510|-0.00023013|-0.00010423|-0.00001156|-0.00042566|-0.00010004|0.00028177|0.00029488|0.00000898|0.00006586|-0.00003643|0.00014942|0.00025834|0.00000262|-0.00025007|-0.00010212|-0.00006530|0.00061023|-0.01579528|0.06093133|-0.00002441|-0.00027638|-0.00002974|0.00713939|-0.00099640|0.00287601|-0.11780152|0.00921581|-0.12286587|-0.00040688|-0.00039408|-0.00026905|0.00054957|0.00108391|0.00035466|0.00042512|-0.00025642|0.00058463|0.00001685|0.00004149|0.00015151|-0.00004357|-0.00001105|-0.00008814|0.00001832|0.00000873|0.00001506|0.00000224|-0.00001616|-0.00004235|0.00002755|-0.00003242|-0.00001972|0.00003871|0.00002049|0.00002529|0.00009309|-0.00001193|0.00001447|-0.00007137|-0.00015820|0.00022025|0.00039988|0.00037768|0.00000384|0.13113404|-0.01141932|0.12631193|-0.00224878|-0.00358201|-0.00080556|-0.00478308|-0.00133337|0.02149789|-0.06559243|-0.00459321|0.04394860|0.00113420|0.00047455|0.00042055|0.00009543|0.00042114|0.00084931|0.00007263|0.00072669|-0.00038389|0.00002910|-0.00015327|-0.00007818|0.00017258|0.00000355|-0.00002321|0.00004481|0.00009220|-0.00001108|-0.00011041|0.00003961|0.00008356|0.00000061|-0.00000609|0.00009029|-0.00004642|0.00000739|-0.00012906|0.00016775|0.00003080|-0.00041339|0.00009295|-0.00048714|0.00129619|0.00033962|-0.00008402|0.00022692|0.00867400|0.00322200|-0.03371508|0.06436386|-0.00375390|-0.00519337|-0.00091019|-0.00438261|-0.00357566|0.03327668|-0.00464923|-0.06213396|0.02419305|0.00031460|0.00092077|0.00176469|0.00117257|0.00101396|0.00040922|0.00001531|0.00063856|-0.00044777|0.00006456|-0.00001677|-0.00007232|0.00012172|0.00002500|0.00001114|0.00003352|0.00002883|-0.00000250|-0.00001981|0.00001359|0.00001161|0.00001546|-0.00007436|0.00000053|0.00009799|0.00002291|0.00004902|-0.00022977|0.00021670|0.00011260|-0.00062900|-0.00004872|0.00193629|0.00016539|0.00005304|-0.00038291|-0.00021515|-0.00104146|0.00215064|0.00810284|0.06423636|0.00083064|0.00154698|0.00111732|-0.00057231|-0.00122429|-0.00602404|0.04803376|0.02950573|-0.34376754|-0.00026219|-0.00044679|0.00016009|-0.00081101|-0.00093758|0.00115378|0.00015877|-0.00022357|0.00037945|-0.00001311|-0.00005290|0.00009972|-0.00003017|0.00003666|-0.00004011|-0.00001861|-0.00003782|0.00001411|-0.00004874|0.00004762|-0.00005895|-0.00000908|-0.00002130|-0.00007607|0.00007228|-0.00000435|0.00011473|-0.00016349|-0.00008872|0.00019612|0.00008106|0.00008804|-0.00037938|-0.00006266|-0.00018641|0.00028141|0.00259900|0.00111432|-0.01431789|-0.05086977|-0.03047292|0.37001087|0.00048173|0.00048868|-0.00068309|0.01180392|-0.02091984|-0.00885128|-0.12903867|0.11664896|0.04769408|-0.00145243|-0.00508954|0.00197640|0.00175406|0.00289152|0.00007993|0.00040702|0.00009453|0.00027252|0.00016474|-0.00004040|-0.00003529|-0.00009905|0.00018970|0.00002711|-0.00009236|-0.00008378|0.00000434|-0.00010569|-0.00000675|0.00002433|-0.00037565|-0.00051170|-0.00009167|0.00005909|0.00029910|0.00006793|0.00009745|0.00001493|0.00024321|0.00004597|0.00007831|-0.00024677|-0.00007186|0.00010381|0.00010659|-0.01461428|0.02668557|0.01245522|-0.00259751|0.00332755|0.00126887|0.13418030|0.00083819|0.00088914|-0.00114724|0.01617969|-0.02741474|-0.01191174|0.11307767|-0.24895158|-0.07644493|-0.00205767|-0.00367612|0.00417766|-0.00075311|0.00305092|-0.00081115|0.00000544|-0.00027396|-0.00000403|0.00043689|0.00034523|0.00001434|-0.00051477|0.00032767|0.00017342|-0.00024897|-0.00034308|-0.00000284|0.00001049|-0.00015770|-0.00006891|-0.00004210|-0.00081759|-0.00021607|0.00053242|0.00051990|0.00014244|-0.00055396|0.00026176|0.00105453|-0.00026343|0.00049030|-0.00000600|-0.00005378|-0.00002040|0.00001376|0.00066103|0.00037897|0.00075321|-0.00295999|0.00546148|0.00095362|-0.12356181|0.27035028|-0.00074016|0.00036146|0.00037085|-0.00471620|0.00629172|0.00237075|0.04747630|-0.07762786|-0.09203480|0.00114638|0.00077303|-0.00004468|-0.00008221|-0.00027947|0.00004747|-0.00012259|-0.00018524|0.00009787|0.00007543|0.00015641|0.00003022|-0.00011714|0.00010961|0.00004067|-0.00008717|-0.00010642|-0.00002251|0.00003948|-0.00008280|0.00002384|-0.00001304|-0.00030468|0.00000391|0.00021095|0.00025529|-0.00018674|0.00032248|0.00025887|-0.00001901|-0.00003807|-0.00018624|0.00009591|-0.00000943|0.00008694|-0.00000449|-0.00816708|0.01659387|0.00712808|0.01840829|-0.03096357|-0.00969191|-0.05333407|0.08438510|0.09124279|0.00161527|-0.00278970|-0.00053492|0.00726321|0.00733559|-0.01178647|0.00015921|0.00109438|0.00114082|-0.17027138|-0.00557919|0.15437935|-0.01986172|-0.00079040|0.02011915|-0.00338507|0.00634085|0.00410768|0.00057907|0.00117331|-0.00002821|-0.00051797|-0.00006369|0.00011708|-0.00067318|0.00013253|0.00006467|-0.00028365|-0.00185618|-0.00006840|-0.00000945|-0.00022551|-0.00004415|0.00005880|0.00018826|0.00006990|0.00017499|0.00001033|-0.00117066|-0.00004192|-0.00001587|0.00000250|-0.00010177|0.00006233|0.00008183|0.00001541|0.00021301|-0.00021289|0.00008728|0.00001277|0.00006349|0.00005277|0.00021133|-0.00001438|0.18569516|0.00160575|-0.00304018|0.00047504|0.01509959|0.00226996|-0.01468624|-0.00086874|0.00241599|-0.00093647|-0.00639555|-0.06384333|0.00567879|0.01490313|-0.00497542|-0.00846538|-0.00004419|-0.00181261|-0.00223516|-0.00020957|-0.00057217|0.00001477|0.00045145|-0.00008637|-0.00028089|0.00033796|0.00033238|0.00020751|-0.00041296|0.00084837|-0.00022832|-0.00013411|0.00000512|-0.00004329|0.00003360|0.00000387|0.00003429|0.00031091|0.00044990|-0.00116125|0.00027018|0.00021053|-0.00028544|-0.00015149|0.00012098|-0.00000722|-0.00036622|-0.00038215|-0.00004755|0.00002118|-0.00065864|0.00033198|0.00009521|0.00020144|0.00033191|-0.00485173|0.06296824|0.00255519|-0.00429814|0.00017742|0.01312086|0.00807377|-0.01473227|-0.00071175|0.00259490|0.00104649|0.16281596|0.00201380|-0.26000608|-0.00854254|-0.00679069|0.01481021|-0.00364002|0.00351793|0.00212489|0.00015704|0.00025119|-0.00011258|-0.00003145|-0.00000609|0.00005557|-0.00034144|0.00015393|0.00004376|-0.00055521|-0.00077596|-0.00007073|-0.00008207|-0.00011934|-0.00005343|0.00007721|0.00006940|0.00007523|0.00006608|0.00004753|-0.00153215|-0.00019197|-0.00000837|0.00024236|-0.00015417|0.00011816|0.00001697|-0.00018057|-0.00034987|-0.00001173|-0.00041944|-0.00065009|0.00072504|0.00010113|0.00023522|0.00028769|-0.16980491|-0.00256845|0.26367482|0.00027333|0.00213733|0.00089121|-0.00739689|-0.00897955|0.00811961|0.00206476|-0.00242529|-0.00138191|-0.07353857|-0.06437622|0.03718228|0.00453535|0.04025990|-0.01216246|0.00534094|-0.00242122|-0.00151865|-0.00101971|-0.00004546|-0.00026683|-0.00067993|-0.00013367|0.00002314|0.00014628|-0.00043387|-0.00001700|0.00070971|-0.00006771|0.00004109|0.00022221|0.00017802|-0.00008456|-0.00010083|-0.00016125|-0.00000405|-0.00002691|0.00011705|0.00027508|0.00016393|0.00044937|-0.00009659|-0.00009391|-0.00016339|0.00009416|-0.00000478|0.00008956|-0.00002410|0.00009752|0.00043634|-0.00024736|-0.00058772|-0.00094576|-0.00023720|-0.00042395|-0.01976630|0.00578091|0.07238803|-0.00189291|0.00117916|0.00151393|-0.00133266|-0.01677055|0.01095134|0.00266835|-0.00132573|-0.00133854|-0.05167336|-0.30633867|0.11432083|-0.00173138|-0.01482285|0.00007049|-0.00087936|0.00158436|0.00013379|0.00036527|-0.00109680|-0.00089184|0.00023910|0.00049764|-0.00010704|0.00005378|0.00028138|0.00016630|-0.00064209|0.00059785|0.00005546|-0.00016234|-0.00026795|0.00002101|0.00011839|0.00016827|-0.00003562|0.00019919|0.00037644|0.00028225|0.00062985|0.00054647|-0.00084625|0.00011190|-0.00003242|-0.00055636|-0.00018600|0.00006723|-0.00004029|0.00006168|0.00012856|0.00007393|-0.00075141|-0.00070463|0.00013363|-0.00037120|0.00529337|-0.00132489|0.05650373|0.32972683|-0.00186829|0.00072411|0.00084928|-0.00564291|-0.02460014|0.01497775|0.00351507|-0.00340674|-0.00222291|0.03584607|0.11654806|-0.11090362|-0.00097075|0.01403769|-0.00890849|0.00261672|-0.00254139|0.00134919|0.00001976|0.00136138|0.00101581|-0.00030367|-0.00030607|-0.00010996|0.00007915|-0.00040561|-0.00006266|0.00052071|-0.00031719|0.00010497|0.00011445|0.00007378|-0.00005430|-0.00001846|-0.00009403|-0.00001336|-0.00012151|0.00012149|0.00044755|0.00044568|-0.00033058|-0.00034706|-0.00019628|-0.00004992|-0.00033881|-0.00011671|0.00019367|-0.00004230|0.00000332|-0.00001961|0.00011442|-0.00112517|-0.00135850|0.00025270|0.00340354|0.02361016|-0.00672105|-0.03561920|-0.12277229|0.11086178|-0.00000401|0.00005994|-0.00002194|0.00007973|-0.00011414|0.00011238|-0.00000685|0.00000696|0.00003232|-0.00105541|0.00017600|-0.00060123|0.00124145|0.00094149|-0.00081937|0.01429787|-0.01606895|-0.00736165|-0.15825812|0.13366324|0.06858906|-0.01370764|0.02781820|0.01046824|-0.00565046|-0.00120555|0.00347956|-0.00250886|-0.00265714|0.00079038|0.00117880|-0.00081751|0.00024008|-0.00018597|0.00007372|-0.00008599|-0.00000657|0.00000530|0.00003401|0.00001003|-0.00001425|0.00000916|-0.00000378|-0.00000779|0.00001234|0.00001296|0.00000727|0.00000137|-0.00000090|-0.00000848|0.00000259|-0.00000631|0.00002593|0.00000292|-0.00001725|0.00003473|0.00003873|-0.00208451|-0.00134841|-0.00057562|0.16660980|0.00000774|0.00003301|-0.00004088|0.00050788|-0.00002252|0.00008796|-0.00018145|0.00009360|0.00010557|-0.00040679|0.00010316|0.00075102|0.00179560|0.00072286|-0.00007851|0.01978082|-0.02196604|-0.01137018|0.12776453|-0.26704796|-0.09677285|0.00001725|0.01017499|0.00352233|-0.00189002|0.00268777|-0.00110463|-0.00566349|-0.00193277|-0.00011099|0.00093948|-0.00074609|-0.00108811|-0.00015649|-0.00001214|0.00016515|0.00000456|0.00003691|0.00007239|0.00000608|-0.00004342|-0.00002970|-0.00000808|0.00000773|0.00003839|0.00001273|0.00000109|0.00000700|-0.00000399|-0.00001625|-0.00000232|0.00004994|0.00009161|0.00000396|-0.00011678|0.00021764|-0.00011865|-0.00025016|0.00086060|-0.00044586|-0.14208101|0.27620561|-0.00012498|-0.00019632|0.00003435|0.00024555|-0.00020410|-0.00017216|-0.00023217|0.00011334|0.00000269|0.00047892|-0.00007779|0.00027841|-0.00173303|-0.00046072|-0.00157249|0.00240218|-0.00146416|0.00108658|0.06843823|-0.09773819|-0.08656691|0.00177564|-0.00386038|-0.00393442|0.00287080|-0.00167948|0.00679547|0.00052584|-0.00048822|0.00305363|0.00056631|-0.00055323|0.00232496|-0.00014755|0.00010721|-0.00047810|0.00004551|0.00008488|0.00000917|0.00009628|-0.00001135|-0.00005707|0.00000205|0.00001326|-0.00000239|-0.00000838|-0.00003014|0.00000452|0.00001498|0.00000303|-0.00000728|0.00004538|0.00005945|0.00000669|0.00016424|0.00017789|-0.00001864|-0.00072876|0.00012429|-0.00015375|-0.07485701|0.10651553|0.07866641|-0.00006082|0.00001690|0.00002112|0.00025628|-0.00001864|0.00007254|-0.00002052|0.00004594|-0.00003531|0.00005762|-0.00022708|0.00029525|-0.00021510|0.00113611|0.00028816|-0.00190842|-0.00429151|0.00131542|0.00216070|0.00035975|0.00140946|0.00140873|0.00380149|-0.00038099|-0.35227214|0.06662896|0.09962706|-0.01150358|0.00999277|0.00631103|-0.00042302|0.00055522|-0.00057226|0.00023208|-0.00053228|-0.00011730|0.00000077|-0.00002427|-0.00001618|-0.00000315|0.00000284|0.00002330|-0.00000273|-0.00000676|-0.00003203|-0.00002071|-0.00002352|-0.00000154|0.00000719|0.00000733|-0.00000197|-0.00000552|-0.00002371|-0.00000351|-0.00011386|0.00003717|-0.00005755|0.00001566|0.00001988|-0.00000587|0.00006602|-0.00012835|0.00015997|0.36234453|-0.00002020|-0.00001153|0.00001377|0.00008882|0.00008151|0.00005812|-0.00001760|0.00003600|0.00000727|-0.00028390|-0.00018507|0.00026339|-0.00068069|0.00155499|-0.00027285|-0.00439912|-0.00312329|-0.00052386|0.00118367|-0.00731782|-0.00386913|0.03377123|-0.00325894|-0.00891734|0.06342393|-0.08616508|-0.02794227|-0.01805940|0.01347205|0.00721642|0.00079980|0.00065583|0.00068697|0.00012784|-0.00019911|-0.00014021|0.00000379|0.00000812|-0.00002240|-0.00000042|-0.00001655|-0.00001231|-0.00000024|-0.00000210|-0.00000812|-0.00000078|-0.00001092|0.00000126|-0.00000054|-0.00000058|0.00000010|-0.00000256|-0.00000891|-0.00000551|-0.00011444|0.00003307|-0.00006529|-0.00000144|0.00005143|-0.00002240|0.00151044|0.00055062|-0.00043479|-0.07732820|0.08385629|-0.00006475|0.00003894|-0.00001346|0.00051674|-0.00017535|-0.00013567|-0.00000891|0.00000298|0.00000260|0.00033724|-0.00007577|0.00041899|0.00020806|0.00032106|0.00160109|0.00036195|-0.00223157|0.00487198|0.00211329|-0.00310018|0.00570772|0.00660143|-0.00041756|-0.00557443|0.09910206|-0.02871143|-0.07601916|-0.00089575|-0.00051658|0.00332918|-0.00046997|0.00080953|-0.00276191|0.00003941|0.00000990|0.00024330|0.00000365|-0.00000839|0.00002783|0.00000608|0.00000539|0.00001120|0.00000245|0.00000152|-0.00001846|-0.00000487|0.00000375|-0.00000346|0.00000876|0.00000339|-0.00000390|0.00000031|0.00000865|0.00000469|-0.00004924|0.00008332|-0.00002179|-0.00001881|0.00006586|-0.00009519|0.00050966|-0.00010663|0.00070032|-0.10829879|0.03398917|0.06772853| 162.09055 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| 54.5852 102.8903 124.8953 179.9220 190.9298 214.0630 249.2156 303.4410 334.2425 396.2892 410.0988 467.7389 532.2174 557.4125 614.5859 671.4127 698.4327 719.1314 746.9353 785.3637 934.3652 978.3358 1001.5674 1001.9139 1014.3706 1057.1174 1061.2692 1135.9941 1175.9136 1225.5350 1247.8552 1263.5229 1284.7873 1293.4228 1374.0921 1420.8673 1444.7642 1496.1591 1513.2258 1540.9820 1571.3842 1581.2162 1624.6552 1633.3425 1642.1677 1651.6423 1653.1157 1673.0496 1744.3727 2600.4067 3213.4339 3222.5571 3278.9339 3285.6454 3300.7335 3304.8856 3318.5902 3403.2337 3456.0082 3470.8788 4.0166 5.6579 3.8487 5.9070 2.7500 1.1588 1.2157 3.1638 3.3473 2.8578 2.7538 3.1582 3.4338 6.5018 6.9657 6.1232 4.8447 3.4334 4.2749 4.3413 3.9257 1.4106 1.5624 1.4882 3.5586 2.7256 1.2977 1.2739 2.1860 1.4561 1.9390 1.8624 1.3504 4.3770 1.4117 2.6148 3.2228 5.7400 3.8640 4.4711 1.4042 1.2927 1.0475 1.0516 1.0635 1.8742 1.2908 1.7627 5.0265 12.6793 1.0376 1.0374 1.1023 1.1022 1.1039 1.1031 1.0557 1.1202 1.0993 1.0994 0.0071 0.0353 0.0354 0.1127 0.0591 0.0313 0.0445 0.1716 0.2203 0.2644 0.2729 0.4071 0.5731 1.1902 1.5502 1.6263 1.3924 1.0461 1.4052 1.5777 2.0193 0.7955 0.9234 0.8802 2.1574 1.7946 0.8612 0.9686 1.7809 1.2885 1.7789 1.7519 1.3134 4.3143 1.5705 3.1103 3.9635 7.5704 5.2131 6.2555 2.0429 1.9043 1.6290 1.6529 1.6898 3.0123 2.0783 2.9071 9.0114 50.5159 6.3128 6.3476 6.9823 7.0104 7.0861 7.0984 6.8500 7.6443 7.7357 7.8032 0.6778 3.4298 0.4175 4.4694 2.8393 0.8369 0.7344 0.8209 4.4982 2.7137 1.3948 1.1338 4.6136 6.3221 0.6722 1.1477 10.3856 17.0958 12.3565 0.5423 20.8978 14.7493 8.4140 0.4442 27.1815 11.0321 3.0753 0.3902 1.2258 2.2809 46.7466 19.6003 6.0495 60.9735 7.0490 12.1490 17.8601 14.4046 9.6965 22.8279 10.6821 5.0927 0.3634 1.9846 8.6701 17.4741 26.9266 1.2064 41.3177 85.3058 21.5975 21.7057 5.6155 40.5186 17.1561 16.6942 13.8317 12.4250 2.7697 0.3872 1.5320 1.7865 2.5037 0.6396 2.4212 0.3188 0.5978 0.9172 1.1586 0.4133 1.5588 2.5536 2.4585 3.8619 5.0266 7.3323 4.8538 3.5892 7.9754 8.7696 10.8309 0.1926 3.0852 6.3359 5.4854 8.4316 1.0378 2.1114 7.1393 3.0625 10.2261 0.3705 2.1950 2.1517 3.3742 4.1959 25.8829 9.4280 1.4221 82.6917 2.2891 3.8452 21.6361 3.9408 7.0937 15.5227 12.2695 14.3946 24.1267 211.9381 40.9959 162.8392 18.1288 104.2567 44.1880 39.5402 90.0804 61.3651 91.3627 60.9077 0.7450 0.6307 0.6949 0.6889 0.7339 0.6744 0.7264 0.6968 0.2316 0.6918 0.5232 0.4392 0.7472 0.7213 0.1759 0.5663 0.4618 0.4584 0.3650 0.1043 0.7073 0.6766 0.7136 0.7464 0.5987 0.6813 0.7440 0.7498 0.4801 0.5322 0.7306 0.5320 0.3752 0.5811 0.1536 0.6720 0.7265 0.6036 0.7306 0.1835 0.6941 0.4862 0.7395 0.6708 0.7495 0.4366 0.5688 0.7461 0.1714 0.2793 0.0417 0.0433 0.7418 0.7370 0.7307 0.7323 0.1187 0.6377 0.3490 0.2243 0.8539 0.7735 0.8200 0.8158 0.8465 0.8055 0.8415 0.8213 0.3761 0.8178 0.6870 0.6104 0.8553 0.8381 0.2991 0.7231 0.6318 0.6286 0.5348 0.1889 0.8285 0.8071 0.8329 0.8548 0.7489 0.8104 0.8532 0.8570 0.6487 0.6946 0.8443 0.6945 0.5456 0.7351 0.2663 0.8038 0.8416 0.7528 0.8444 0.3102 0.8195 0.6543 0.8502 0.8030 0.8568 0.6078 0.7252 0.8546 0.2926 0.4366 0.0801 0.0831 0.8517 0.8486 0.8444 0.8455 0.2122 0.7788 0.5174 0.3664

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 6 7 7 6 7 6 6 6 7 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 14.00307 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

1259.26405 2018.51736 2818.52320 1.00000 -0.00197 0.00145 0.00195 0.99997 0.00710 -0.00147 -0.00710 0.99997 1 0.06878 0.04291 0.03073 1.43317 0.89409 0.64031 78.54 148.04 179.70 258.87 274.71 307.99 358.57 436.58 480.90 570.17 590.04 672.97 765.74 801.99 884.25 966.01 1004.89 1034.67 1074.67 1129.96 1344.34 1407.61 1441.03 1441.53 1459.45 1520.96 1526.93 1634.44 1691.88 1763.27 1795.39 1817.93 1848.52 1860.95 1977.01 2044.31 2078.69 2152.64 2177.19 2217.13 2260.87 2275.02 2337.52 2350.02 2362.71 2376.34 2378.46 2407.15 2509.76 3741.41 4623.41 4636.54 4717.65 4727.31 4749.02 4754.99 4774.71 4896.49 4972.43 4993.82 0.190113 0.200519 0.201463 0.153881 -526.279151 -526.268746 -526.267802 -526.315384 1.595908D-04 MUNgauss RevisionA2.1 retrievium 02-Nov-2022 GDB_13 Smiles: CC1(C)CN1N1C=NC=C1C#N RHF 6-31G(d) (6D,10F) C1 162.090546 |X|Y|Z| 32.408662 24.719438 14.039351

22.405204 8 6 7 5 3

|36.858105| |12.578429|36.858105| |7.466965|12.597479|36.858105| |7.421170|12.934041|7.367835|36.858105| |7.353697|12.941890|7.680370|13.085208|53.358707| |6.603584|7.769963|5.196603|7.878156|18.621869|53.358707| |5.072443|5.458695|3.939311|6.360378|10.541221|19.397579|36.858105| |4.189895|4.202727|3.261740|4.480615|7.328403|11.818837|14.636261|53.358707| |4.375161|4.302890|3.432823|4.174582|7.374093|11.914644|9.019317|19.191221|36.858105| |5.613858|5.799964|4.473904|5.182211|10.617430|18.858568|8.777057|11.652881|13.991963|36.858105| |5.391542|5.533385|4.814881|4.454070|8.813428|10.525202|5.382333|7.157798|7.509584|13.384441|36.858105| |4.744588|4.820829|4.674745|3.806602|6.993166|7.384257|4.090313|5.459531|5.284393|7.440295|16.752324|53.358707| |17.574121|8.852918|6.819227|5.550630|8.506773|8.165392|4.548283|5.452787|4.478118|5.888046|6.350633|7.935077|0.500000| |17.602628|8.763600|5.451819|7.018911|9.290942|9.855768|6.031817|6.734216|4.950027|5.977810|5.151610|5.896724|0.300884|0.500000| |17.559537|8.944016|6.789499|6.243069|7.514034|6.641817|4.072167|4.702021|3.526319|4.254516|4.181295|5.274255|0.301755|0.301883|0.500000| |6.758629|8.883612|17.548341|6.164966|7.671076|5.709856|3.387840|3.890304|2.957851|3.671120|3.887549|5.227745|0.168028|0.138735|0.200565|0.500000| |5.472377|8.857196|17.596890|7.018623|10.017344|6.606724|3.777321|4.245312|3.236696|4.137009|4.374492|5.777451|0.140014|0.122813|0.139642|0.300451|0.500000| |6.799629|8.882776|17.569970|5.544888|8.847292|6.666718|3.680528|4.318330|3.482859|4.617975|5.484388|7.806040|0.202953|0.139645|0.167215|0.300469|0.301391|0.500000| |5.430716|8.522365|6.743164|17.719560|12.152673|7.956032|5.069740|5.138849|3.517776|4.215570|3.772084|4.546219|0.121673|0.140757|0.137964|0.164026|0.205272|0.139349|0.500000| |7.030799|8.726617|5.445227|17.712614|11.918068|10.019101|6.989908|6.551651|4.221649|4.896944|4.025504|4.648859|0.143419|0.215235|0.169934|0.136977|0.140750|0.122886|0.292189|0.500000| |4.621454|5.099277|3.731989|6.723628|9.299609|12.282782|17.820630|12.304787|6.046423|5.963629|4.225412|4.631669|0.110961|0.151339|0.108178|0.091446|0.101310|0.093880|0.154383|0.226487|0.500000| |3.683612|3.544900|2.967324|3.393368|5.730828|8.048822|6.080026|12.203029|17.805921|8.721801|6.437534|6.733001|0.107707|0.113438|0.085293|0.072359|0.077980|0.085157|0.081750|0.095219|0.128027|0.500000| 525.854059 -2608.406402 937.397050 -71.589687 -1216.744981 690.275716 -526.469265 2.001170 4047FFFFFFFFFFF2 41B1D15AEBFFFFFE 414A84FE653594D3 40A1B20000000000 C01BFFFFFFFFFFFE 414054437FFFFFFF