Version2.5 2022-09-30T17:00:40Z 10.1021/ja902302h Gaussian16 RevisionB.01 SBUNGAY 10-Sep-2022 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) GDB_13 Smiles: CC1CC2CC=CC(=C)C3C1N23 RHF 6-31G(d) (6D,7F) CC1CC2CC=CC(=C)C3C1N23 C1[X(C11H15N)] 75 C1 210 CC1CC2CC=CC(=C)C3C1N23 C=C1C=CCC2N3C1C3C(C)C2 CC1CC2CC=CC(=C)C3C1N23 InChIKey=TVWSWOVSOYPMCQ-UHFFFAOYSA-N InChI=1S/C11H15N/c1-7-4-3-5-9-6-8(2)11-10(7)12(9)11/h3-4,8-11H,1,5-6H2,2H3 InChI=1/C11H15N/c1-7-4-3-5-9-6-8(2)11-10(7)12(9)11/h3-4,8-11H,1,5-6H2,2H3 CC1CC2CC=CC(=C)C3C1N23 C01[X(C11H15N1)] 75 C1 210 CC1CC2CC=CC(=C)C3C1N23 C[C@H]1C[C@@H]2[N@@]3[C@H]1[C@@H]3[C@@H](C)CCC2 C[C@H]1CCC[C@@H]2C[C@H](C)[C@@H]3[C@H]1[N@]23 InChIKey=RNXPQEOKDLENRG-ZXZMWMBJSA-N InChI=1S/C11H19N/c1-7-4-3-5-9-6-8(2)11-10(7)12(9)11/h7-11H,3-6H2,1-2H3/t7-,8-,9+,10-,11+,12-/m0/s1 InChI=1/C11H19N/c1-7-4-3-5-9-6-8(2)11-10(7)12(9)11/h7-11H,3-6H2,1-2H3/t7-,8-,9+,10-,11+,12-/m0/s1 4.793703734709D+02 -2.581051045295D+03 731.8522516894 -479.6499467 1-A 1758.8574 44 166 210 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -15.54581 -11.25363 -11.24965 -11.24698 -11.24378 -11.23071 -11.22811 -11.22601 -11.22418 -11.21873 -11.21172 -11.20956 -1.29279 -1.10233 -1.08266 -1.05791 -0.99591 -0.93537 -0.90183 -0.87262 -0.81349 -0.76436 -0.74439 -0.70900 -0.67345 -0.65272 -0.62291 -0.60421 -0.59157 -0.58156 -0.56852 -0.56496 -0.55369 -0.53009 -0.51727 -0.49972 -0.47460 -0.46402 -0.45615 -0.44351 -0.43275 -0.40341 -0.35389 -0.31136 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.13066 0.21933 0.23738 0.24813 0.26505 0.28042 0.29311 0.29933 0.30489 0.30766 0.32285 0.32436 0.33186 0.33804 0.34534 0.34969 0.35515 0.37499 0.38287 0.39664 0.42042 0.42684 0.43969 0.45254 0.47553 0.49427 0.52443 0.52982 0.58152 0.59339 0.63486 0.68490 0.70590 0.73144 0.74714 0.77358 0.79125 0.80104 0.81989 0.83310 0.85058 0.85421 0.86464 0.87286 0.89599 0.90575 0.90874 0.92557 0.93858 0.94876 0.96008 0.98780 0.99932 1.01343 1.04151 1.06655 1.08702 1.09915 1.11065 1.12030 1.13057 1.13994 1.14467 1.15860 1.16403 1.16844 1.18262 1.18544 1.19929 1.21222 1.21823 1.22249 1.23688 1.23850 1.24529 1.25479 1.28747 1.29606 1.30375 1.33366 1.36680 1.40211 1.42599 1.43561 1.49347 1.53320 1.59045 1.60273 1.65119 1.68989 1.72956 1.76714 1.78137 1.79485 1.82651 1.86370 1.91685 1.93518 1.99038 1.99453 2.01514 2.03477 2.05979 2.07093 2.10083 2.11494 2.12107 2.16746 2.20642 2.23134 2.25416 2.28916 2.29529 2.31245 2.33054 2.34416 2.37295 2.39856 2.41490 2.44590 2.44889 2.47632 2.47870 2.54281 2.55559 2.57304 2.58324 2.61481 2.62607 2.65537 2.67582 2.69830 2.75058 2.75747 2.79644 2.81950 2.83611 2.85970 2.87917 2.89953 2.91988 2.94750 2.97289 3.03759 3.05366 3.12188 3.12856 3.16606 3.17599 3.25060 3.29070 3.33660 3.44534 3.54999 4.52180 4.59075 4.60350 4.62749 4.68398 4.74184 4.74970 4.90030 4.97537 5.04178 5.08990 5.14728
12.02788
-0.3646 0.1839 -1.3534 1.4137 |XX|YY|ZZ|XY|XZ|YZ| -70.2440 -70.6505 -76.8336 -0.3521 -3.1568 2.4705
|XX|YY|ZZ|XY|XZ|YZ| 2.3320 1.9255 -4.2576 -0.3521 -3.1568 2.4705
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| 3.8304 -0.5529 -0.9235 1.0861 -4.5519 -1.3847 -3.8387 4.2481 -6.7704 -2.7608
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY| -1160.3652 -812.1787 -411.2743 -3.2154 -27.9842 -1.5853 -11.6167 -5.1992 17.6235 -329.4852 -259.2105 -211.6319 -3.2269 -9.1785 2.0685
0 |0.61227170|0.04891078|0.60912285|-0.02430541|0.02383312|0.63001957|-0.13932053|0.05604474|-0.02832277|0.62280453|0.05505231|-0.16743555|0.03720148|0.03411814|0.62710489|-0.02808962|0.03493375|-0.11656516|0.01920959|-0.03137538|0.53821470|-0.01800664|0.00542977|0.01167607|-0.16207860|0.01365994|0.05266652|0.50225543|0.02056346|-0.00435348|-0.01649014|0.01150920|-0.10142386|-0.01214539|0.07259932|0.66682431|-0.01240220|0.00109907|0.01341595|0.04951746|-0.00880081|-0.12642574|-0.01384361|0.01856016|0.64912360|-0.00360431|-0.00006550|0.00482859|-0.03365151|0.01829692|-0.01330863|-0.13094166|0.02154504|-0.03561752|0.61562003|0.00055834|-0.00097211|-0.00189092|0.01162962|-0.00037609|0.00154509|0.02013589|-0.12055083|0.02965329|0.00987356|0.69605662|0.00265615|-0.00152125|-0.00586156|-0.00027268|-0.00313092|0.01513242|-0.04465460|0.03137489|-0.13182964|-0.02229501|-0.00721471|0.51010792|-0.00039117|0.00003774|0.00038969|-0.00085449|0.00057391|-0.00190504|-0.01963614|-0.00060480|0.00279107|-0.22560456|-0.01434952|0.02612339|0.58599566|0.00082127|0.00027219|-0.00050591|0.00151855|-0.00171983|0.00126918|0.01425704|0.00288860|-0.00470338|-0.01672439|-0.10240083|0.00286851|-0.01499980|0.59115178|-0.00107488|0.00014795|0.00166732|-0.00351231|0.00267761|-0.00563999|-0.02373530|-0.00376459|0.01155191|0.01723717|0.00128512|-0.09888071|0.00276133|0.00819316|0.64087335|0.00016002|0.00020973|-0.00011304|0.00011454|-0.00017936|0.00012407|0.00123034|-0.00069034|-0.00013687|-0.00998858|-0.03966802|0.00470699|-0.12921766|-0.04941856|0.01344130|0.64811117|0.00016713|0.00021790|-0.00023874|0.00019796|-0.00040107|0.00054142|0.00030489|0.00131043|-0.00214516|-0.00721882|0.00335744|0.00293597|-0.04704996|-0.22818845|0.01226728|-0.12605601|0.88741675|-0.00004846|-0.00019344|0.00011779|-0.00002569|-0.00034162|-0.00009146|-0.00127006|-0.00023055|0.00011462|0.00308403|0.00872950|-0.00293226|0.01826956|0.02025054|-0.09602500|-0.22812551|0.08094135|0.29512112|-0.00018359|-0.00033740|0.00026927|-0.00017730|-0.00038251|-0.00022397|-0.00117976|0.00036954|-0.00039897|0.00157349|0.00001519|-0.00099966|0.01569979|-0.00855718|-0.00548326|-0.20665381|0.16891603|0.07617620|0.60253623|-0.00001441|-0.00020861|0.00007354|0.00030417|0.00048619|0.00030656|-0.00062316|-0.00066841|-0.00003245|0.00117020|0.00032642|-0.00040273|0.01415051|-0.02351345|-0.00642863|0.18299339|-0.52925932|-0.10139026|-0.09760824|0.94758094|0.00007918|0.00025069|0.00006312|0.00000351|-0.00009750|-0.00002288|-0.00025283|0.00037697|-0.00059440|-0.00027870|0.00058212|0.00011124|-0.00415946|0.00470381|0.00990886|0.07554915|-0.08909460|-0.10567745|-0.22607482|0.04074311|0.27549699|-0.00034557|0.00029762|-0.00042177|0.00081239|0.00218617|-0.00102922|-0.00062157|-0.00051177|-0.00020427|0.00291486|-0.00335225|-0.00232136|-0.00014202|-0.00073585|-0.00271828|-0.01214168|0.01573225|0.00628518|-0.22566306|0.00944321|0.07535321|0.55780625|-0.00037720|0.00136404|-0.00069514|-0.00068883|0.00157265|-0.00078199|-0.00005305|-0.00072726|-0.00220501|0.00103513|0.00205870|0.00025859|0.00029423|0.00219040|0.00010480|0.03570379|-0.00248236|-0.01724496|0.02258720|-0.11783419|-0.00393175|-0.18584780|0.85054018|-0.00002335|-0.00033348|-0.00052861|-0.00038762|0.00062315|0.00102018|-0.00025783|-0.00097423|-0.00047277|-0.00111334|0.00024089|0.00397333|-0.00406808|0.00105195|-0.00591238|0.00663671|-0.00649978|0.00276664|0.07873255|0.00141996|-0.12069060|-0.16160235|-0.13121929|0.37151034|-0.00027083|0.00072565|-0.00068182|-0.00000278|0.00038065|0.00004842|0.00046701|0.00008288|-0.00098066|-0.00148373|0.00135037|0.00129504|-0.00085448|-0.00029670|-0.00073344|-0.00421571|-0.00511568|0.00327257|-0.01857789|0.04413487|0.00394491|-0.19827088|0.18972663|0.00750995|0.62593287|-0.00009437|-0.00057848|-0.00008988|0.00003261|-0.00031450|0.00055188|-0.00009362|-0.00025597|-0.00003904|-0.00022141|0.00084214|0.00098581|-0.00008067|-0.00071422|0.00005569|-0.00345997|0.00584054|0.00145769|0.01998525|-0.01222838|-0.00514536|0.18640559|-0.53454198|0.05913469|-0.18308585|0.87211327|0.00003315|0.00117252|-0.00043773|-0.00014803|0.00040959|-0.00090237|0.00035394|0.00041315|-0.00047873|0.00074411|-0.00094886|-0.00167331|0.00052948|0.00016758|0.00076454|0.00400941|0.00141109|-0.00097856|0.01129906|-0.01907725|0.00914777|0.00788137|0.05655464|-0.09469609|-0.23845747|-0.16766240|0.35195354|-0.00005492|0.00059501|0.00138138|-0.00818361|-0.00865314|-0.00357175|0.00176118|-0.00121213|-0.00072584|-0.00230663|0.01596995|-0.00163756|-0.00011249|0.00139984|-0.00053004|0.00013601|-0.00192412|-0.00088738|-0.01065803|-0.02224160|0.02023259|-0.11929192|-0.03292248|0.04519890|0.01378309|0.00788938|-0.00679129|0.43430405|0.00111380|0.00069834|-0.00032195|0.00191936|-0.00222633|0.00039642|-0.00102320|0.00337879|0.00032586|0.00072893|-0.02162101|-0.00117836|0.00164820|0.00188191|0.00149704|0.00168611|0.00055352|-0.00115180|-0.00180320|0.01007273|-0.00040415|-0.03575438|-0.15648213|0.05818402|-0.01470478|-0.02611207|0.02639150|0.17062642|0.61796040|0.00118454|0.00063597|0.00314866|-0.01227834|-0.03166904|0.00640464|-0.00073049|-0.00132630|-0.00023222|-0.01621358|-0.03724289|-0.00058959|-0.00065982|0.00068162|0.00287207|-0.00071297|-0.00126042|0.00066422|0.00648382|0.01190468|-0.00388797|0.05286662|0.06628582|-0.16494302|0.00100650|0.00795649|-0.00005692|-0.01347020|0.03632645|0.67556648|-0.00864623|-0.00412618|-0.02033571|-0.10884787|-0.02243847|-0.03796638|0.00941883|0.00826445|0.02148246|-0.02618432|0.01116581|0.01214054|0.00095255|0.00273910|0.00128659|0.00055017|-0.00034072|-0.00041432|-0.00014650|-0.00192662|0.00010411|-0.00773337|0.00111941|0.00209377|0.00093227|0.00208158|-0.00061108|-0.20104711|-0.15253769|-0.03088117|0.72200268|0.00857551|0.01062066|0.02580296|-0.01346225|-0.09428385|-0.01704729|0.00016440|0.00085986|-0.00596278|0.02265696|-0.00984209|-0.00397741|-0.00030590|-0.00041217|0.00052265|0.00035611|0.00138978|-0.00041969|0.00012777|-0.00067686|-0.00182019|-0.01664516|-0.01213348|-0.00092453|0.00045134|0.00272252|-0.00011253|-0.10661675|-0.08983875|-0.01211359|0.08678657|0.34298704|-0.00590168|0.00185490|-0.00789167|-0.03171077|-0.03201898|-0.20213499|0.00492825|-0.01375701|-0.03557636|0.03804032|-0.00263873|-0.00524242|0.00028003|-0.00356442|-0.00811517|0.00003198|0.00010106|0.00030068|0.00118685|0.00435525|-0.00275246|0.02874826|-0.00335310|0.00611936|-0.00091266|-0.00109590|0.00082481|-0.01735725|-0.00952038|-0.08829974|-0.07853746|0.02696147|0.68413908|-0.00098829|-0.00509116|-0.00509661|-0.02546985|0.02534672|-0.01638768|-0.00019493|-0.00351478|-0.00949144|-0.09417038|-0.00330676|0.04361752|-0.00886890|0.02148319|0.04155613|0.00278851|0.00194097|-0.00074397|-0.00003307|0.00168171|-0.00169029|0.00456090|-0.02083061|-0.00544356|-0.00113025|-0.00081552|0.00171566|-0.03358775|0.04031523|0.04145253|-0.19438520|0.05982102|-0.04938081|0.36912478|0.00006929|0.00160008|0.00127726|-0.00138332|-0.00054631|0.00065523|0.00062906|0.00759282|0.00322624|0.00171217|-0.11337134|-0.06730735|0.00001645|0.00226186|-0.00015361|-0.00067980|-0.00060066|0.00185617|0.00163717|0.00200685|-0.00108997|0.01401186|-0.01982152|-0.00350957|-0.00495755|-0.00274903|0.00374897|-0.00530289|-0.26086401|0.01058352|0.10476156|-0.07671121|-0.00072833|-0.12366091|0.49091731|-0.00143648|-0.00379483|-0.00643881|-0.01904347|0.02495407|-0.01080455|-0.00360803|-0.01594915|-0.04467902|0.00820566|-0.02491670|-0.20491056|0.00564702|-0.00603107|-0.01092762|-0.00079147|-0.00010047|0.00069130|-0.00098092|-0.00186998|0.00203152|-0.01883024|0.02285461|0.00565610|0.00386646|0.00320432|-0.00275481|0.02061605|-0.02775490|-0.08923265|0.00902055|-0.01213897|-0.08433258|-0.03403162|0.10185382|0.44070910|-0.09893364|-0.03230255|-0.09225515|-0.00847693|-0.00892777|-0.02073620|0.00100160|-0.00097540|0.00004795|0.00025954|-0.00031996|-0.00079721|0.00001278|-0.00001880|0.00012499|-0.00003663|-0.00003518|0.00003682|0.00010314|-0.00000486|0.00003450|0.00007449|-0.00010352|-0.00023127|-0.00024317|0.00004754|-0.00010781|0.00053998|-0.00017393|0.00057387|-0.00164066|0.00409808|0.00061567|-0.00137294|0.00078033|-0.00129637|0.10160801|-0.03325605|-0.08571985|-0.07605441|0.01069013|0.01012389|0.02749357|-0.00084267|0.00105246|-0.00026469|-0.00059491|0.00029151|0.00061282|-0.00006614|-0.00003512|-0.00015000|-0.00008713|-0.00007661|0.00006586|0.00011402|0.00015537|-0.00004263|-0.00001518|-0.00043433|0.00011188|-0.00020248|0.00015512|-0.00054963|-0.00006660|-0.00023113|-0.00020289|0.00313486|-0.00436936|-0.00017313|0.00171196|-0.00013577|0.00169572|0.03329139|0.08818207|-0.09303413|-0.07414013|-0.27629143|-0.00396451|-0.00541499|-0.01157007|0.00064426|-0.00012530|0.00065935|-0.00002494|-0.00017570|-0.00066634|0.00003168|0.00003286|0.00006936|0.00001364|0.00000204|-0.00000173|0.00001349|-0.00003338|0.00003407|0.00005940|0.00012054|-0.00016508|0.00002729|-0.00007616|0.00007227|0.00037726|-0.00010872|0.00032688|-0.00151512|0.00291771|0.00143160|-0.00078758|0.00049382|-0.00053366|0.10445451|0.08225778|0.29844883|-0.22325256|0.03799676|0.13287658|-0.01664962|0.00179779|0.01499240|-0.00101760|0.00336176|-0.00349218|-0.00056046|0.00042375|0.00168185|-0.00006818|0.00016229|-0.00052996|0.00004626|0.00002864|-0.00004079|-0.00002735|0.00002090|-0.00002382|0.00010159|-0.00021213|-0.00001843|-0.00039470|0.00019736|-0.00012680|-0.00035116|0.00004252|-0.00010107|0.00044137|-0.00058329|0.00116217|0.00026869|-0.00044653|-0.00042045|0.01374755|-0.00245264|-0.00858549|0.24043795|0.03711339|-0.06914314|-0.03019868|0.02128887|-0.00406126|-0.01957107|0.00198806|-0.00347853|0.00449419|0.00122572|0.00004371|-0.00163100|0.00011390|-0.00022834|0.00057092|-0.00005495|-0.00013923|0.00005124|0.00006857|0.00001383|-0.00002536|-0.00002469|-0.00027899|-0.00010017|-0.00034252|0.00020973|-0.00015694|0.00011197|-0.00020382|0.00031287|-0.00077923|0.00100414|-0.00061566|-0.00027460|0.00021375|0.00000352|0.00932750|-0.00255879|-0.00715764|-0.04482316|0.06842085|0.13414115|-0.03120140|-0.16782471|-0.01371452|0.00265796|0.01146108|-0.00132001|0.00225472|-0.00090948|-0.00088136|0.00029197|0.00049515|-0.00006431|0.00010623|-0.00019684|0.00001328|0.00004044|0.00000531|-0.00001792|-0.00000044|0.00000419|-0.00002282|0.00006161|0.00006893|0.00016038|-0.00003022|0.00005831|-0.00015954|0.00006170|-0.00013563|-0.00025742|-0.00057542|0.00081820|0.00052716|-0.00032610|0.00038535|0.02631845|-0.00501129|-0.02008152|-0.14753374|0.03274886|0.17809376|-0.13457824|-0.12778696|0.02212453|0.01380579|0.02189101|-0.00264856|0.00180027|0.00018201|-0.00021379|0.00022082|0.00007999|-0.00005965|0.00000647|-0.00006901|0.00001299|-0.00001337|0.00012977|0.00002494|0.00001504|-0.00013057|-0.00003830|-0.00097174|0.00001624|-0.00025514|-0.00074004|-0.00078550|-0.00068274|-0.00002701|0.00000274|-0.00025804|0.00093744|-0.00074270|0.00056703|0.00030209|-0.00030046|0.00022649|-0.00692523|-0.01021166|0.00237242|-0.01369689|-0.02428876|0.00238485|0.14298465|-0.12404648|-0.27045984|0.03523848|-0.01461828|-0.02272545|0.00312936|-0.00166745|0.00053136|0.00015812|0.00001881|0.00041397|-0.00000667|-0.00004838|0.00000148|0.00001239|-0.00006614|-0.00013721|0.00007015|0.00025555|0.00009433|-0.00006668|-0.00020398|-0.00086102|-0.00021796|-0.00140894|0.00011152|-0.00114610|0.00028723|0.00013469|0.00076377|-0.00040445|0.00039308|-0.00073971|-0.00006567|0.00027672|-0.00012810|-0.00488332|-0.00818452|0.00084247|0.00387281|0.00907177|-0.00023102|0.13795582|0.29356037|0.02078870|0.03416006|-0.06624367|0.00857242|0.01295928|-0.00215689|0.00005407|-0.00121785|0.00004611|0.00018142|-0.00001223|0.00029687|0.00004282|0.00001549|-0.00003454|0.00010594|0.00015511|-0.00010718|-0.00011724|-0.00019124|0.00000105|-0.00029130|0.00038882|-0.00012703|-0.00034638|-0.00041402|0.00037875|-0.00045566|0.00003057|-0.00020516|0.00140117|0.00057134|0.00042764|0.00013291|-0.00052481|-0.00004371|-0.01748362|-0.02964405|0.00749847|0.01154570|0.02165500|-0.00290638|-0.02179051|-0.03956533|0.06377521|0.01341358|0.02226439|-0.00316304|-0.14138318|-0.12233848|0.01298027|-0.01602061|-0.02529633|0.00433909|0.00019072|-0.00084578|0.00050975|-0.00013592|0.00049808|0.00002193|0.00019329|-0.00010937|-0.00017198|-0.00010999|0.00007511|0.00000573|0.00034016|0.00048267|-0.00000569|0.00004542|-0.00011732|0.00015388|0.00135080|-0.00016021|-0.00286761|-0.00881831|-0.01276062|0.00051172|0.00044089|0.00068436|0.00048481|0.00104351|-0.00107371|0.00063518|0.00112201|-0.00097057|0.00058057|-0.00251907|0.00423148|-0.00223617|0.15405627|-0.01492412|-0.02529999|0.00369122|-0.12199355|-0.24900603|0.02100143|0.00529566|0.00778038|-0.00161885|-0.00059530|-0.00034900|-0.00024656|-0.00010087|0.00013307|-0.00013830|0.00003097|-0.00005997|0.00008157|0.00011193|-0.00000833|-0.00001765|0.00049037|0.00004483|0.00001067|-0.00013379|0.00003250|-0.00009093|0.00133405|0.00089385|-0.00209070|-0.00619968|-0.00782061|0.00050964|-0.00107871|0.00111638|-0.00002072|-0.00010572|0.00149583|0.00040619|0.00015925|0.00068114|-0.00098594|0.00476589|-0.00310342|0.00250651|0.13151526|0.27002364|0.00814126|0.01364438|-0.00094830|0.01311739|0.02133765|-0.06128827|0.01457653|0.01997617|-0.00440340|-0.00039056|0.00032697|-0.00107229|0.00000885|-0.00008820|0.00017491|-0.00008058|-0.00002612|0.00010182|0.00011709|-0.00027464|0.00017869|0.00064464|0.00077991|-0.00049443|-0.00000872|-0.00025690|0.00043830|-0.00006578|-0.00108909|-0.00718557|-0.02551575|-0.03392739|-0.00000195|0.00209434|0.00123502|0.00246199|0.00077667|-0.00031989|0.00016785|-0.00023546|-0.00069186|0.00046442|-0.00216227|0.00262134|-0.00046033|-0.01331562|-0.02245262|0.07097733|0.00025540|-0.00036878|0.00073250|0.00915918|0.02180772|0.02372811|-0.07077037|-0.04029165|-0.04323127|-0.00293582|-0.01938229|-0.01492697|0.00025916|0.00004174|-0.00077757|0.00005935|-0.00011142|-0.00000145|0.00005123|0.00016480|-0.00009086|0.00001246|-0.00025777|0.00006838|-0.00019173|0.00000744|-0.00010526|-0.00093050|0.00111389|0.00031610|-0.00599292|0.00200815|0.00346845|-0.00178310|0.00071280|-0.00485614|-0.00017992|0.00006452|-0.00044225|-0.00031211|-0.00009586|-0.00031065|-0.00003167|-0.00001923|0.00002659|0.00208688|-0.00020117|-0.00097104|0.07139850|-0.00005072|-0.00009999|-0.00079273|-0.00367966|-0.00473312|-0.00339608|-0.03988992|-0.19008817|-0.13911790|0.00291729|0.01068102|0.01208373|-0.00001727|-0.00021564|-0.00024007|0.00004752|-0.00041514|-0.00004182|-0.00003345|0.00012125|-0.00014754|-0.00012301|-0.00051443|-0.00006356|-0.00032288|0.00019941|-0.00033925|0.00046799|-0.00048204|0.00096916|0.00243106|-0.00017414|0.00059998|0.00078617|0.00060391|0.00406913|0.00041474|-0.00007512|0.00030877|0.00038845|0.00002001|0.00028908|-0.00011629|0.00021059|-0.00005036|0.00022488|0.00167315|0.00075537|0.04352574|0.20100822|0.00041302|0.00031175|-0.00057249|-0.00546090|-0.01053352|-0.01162591|-0.04184684|-0.13492489|-0.20198537|-0.00173407|-0.01724097|-0.01333280|0.00005721|0.00045402|-0.00091682|0.00009780|0.00029121|0.00005152|0.00025898|-0.00005565|0.00012370|0.00019801|0.00017153|-0.00020636|-0.00003343|-0.00013256|0.00028248|-0.00018895|0.00101181|0.00025682|0.00147841|0.00060338|-0.00222844|-0.00056784|0.00086832|-0.00528942|0.00021887|-0.00020132|0.00035102|0.00024021|-0.00015503|0.00017581|-0.00003012|0.00001702|0.00003954|-0.00016317|0.00065486|0.00072440|0.04490339|0.14864047|0.21874537|0.00178118|-0.00168525|-0.00072153|-0.01323718|-0.02761917|0.01218083|-0.09661572|-0.08739522|0.04623279|0.01179653|0.02464760|-0.00890378|0.00138137|-0.00014283|0.00082654|-0.00138274|-0.00017371|-0.00034101|-0.00105058|-0.00128810|-0.00106409|0.00035956|-0.00119230|-0.00108376|-0.00051632|0.00021360|-0.00019981|0.00032912|-0.00019877|0.00027830|-0.00065854|-0.00008424|-0.00032879|-0.00007850|-0.00099742|-0.00045409|-0.00030003|0.00000385|-0.00023237|0.00056313|0.00002142|-0.00012391|-0.00018402|0.00109397|-0.00009763|-0.00460677|0.00192196|0.00467331|-0.00209643|-0.00602869|0.00271506|0.10707532|0.00029758|0.00127486|0.00004029|0.00370131|0.00929769|-0.00412070|-0.08740080|-0.25769068|0.10496943|-0.00379576|-0.01214452|0.00362219|-0.00089281|0.00039955|0.00017159|0.00023246|-0.00054690|-0.00083820|-0.00173018|-0.00001321|-0.00116995|-0.00120007|-0.00161089|-0.00184147|-0.00022288|-0.00014298|-0.00059605|-0.00022706|-0.00029124|0.00034170|0.00000182|-0.00009028|0.00024857|0.00000449|0.00064453|0.00101125|-0.00020061|-0.00003305|0.00001744|-0.00003982|0.00026326|-0.00012098|-0.00026374|0.00022927|-0.00015699|0.00222419|0.00071830|-0.00129492|-0.00911420|-0.02001708|0.01030454|0.09636417|0.27945651|-0.00130791|0.00060582|0.00101806|0.00602517|0.01660177|-0.00651645|0.04500830|0.10210619|-0.11901774|0.01105353|0.02009533|-0.00666555|0.00102317|-0.00039287|0.00091525|-0.00046126|0.00056761|0.00043019|-0.00041634|-0.00068916|0.00010317|-0.00049324|-0.00097239|-0.00179679|0.00025401|-0.00027278|0.00045923|0.00002782|0.00009457|-0.00106092|0.00033822|0.00046502|0.00023165|-0.00043115|-0.00112880|-0.00078042|0.00007630|-0.00023487|0.00008869|-0.00036106|-0.00008884|-0.00007799|0.00032519|-0.00069590|0.00034693|0.00236958|-0.00070082|-0.00175858|-0.01047668|-0.02308630|0.01482347|-0.04967561|-0.11297244|0.12173710|-0.00022626|-0.00008679|-0.00000195|0.00069222|-0.00029366|-0.00037967|0.00546170|0.02423216|-0.00516869|-0.07421920|-0.05094807|0.00429962|-0.00958947|-0.04036316|0.00398032|-0.00756525|0.00286502|0.00169998|0.00013278|0.00002336|-0.00003978|-0.00064563|-0.00006434|0.00028641|0.00042154|0.00002320|-0.00012773|0.00065058|0.00089679|0.00150334|0.00068119|-0.00073254|-0.00073508|0.00408397|0.01146668|0.00217454|0.00004459|0.00002176|0.00000772|-0.00009358|-0.00000303|0.00003698|0.00000066|-0.00013564|0.00003256|-0.00052442|0.00003954|-0.00003255|0.00162206|-0.00044781|0.00077128|-0.00334213|0.00201433|-0.00269152|0.07994172|0.00041192|0.00026295|-0.00006213|-0.00022388|-0.00044644|0.00003648|-0.00340022|-0.01307475|0.00280672|-0.05103183|-0.32570354|0.02959264|-0.00001213|-0.00351458|0.00066409|-0.00112493|0.00172982|0.00040206|0.00046822|0.00030570|-0.00003490|-0.00010710|0.00070447|-0.00012813|-0.00009156|-0.00007710|0.00006529|0.00006850|0.00264775|-0.00328722|0.00013108|-0.00014508|0.00053158|-0.00127189|-0.01801513|-0.00784914|0.00000361|-0.00002045|0.00005069|0.00008313|-0.00006582|-0.00002493|-0.00013324|0.00016504|-0.00006353|0.00079629|0.00029415|-0.00007677|0.00003818|0.00181595|0.00040704|0.00237524|0.00038315|0.00158893|0.05309198|0.35288044|-0.00026281|-0.00001297|0.00024023|0.00070471|0.00009657|-0.00079265|0.00373290|0.02708205|-0.00525522|0.00638564|0.03492067|-0.05843685|0.00161122|0.00842381|0.00015092|0.00163982|-0.00031544|0.00071887|0.00022698|-0.00034162|-0.00013094|0.00032658|0.00054585|-0.00049687|-0.00021459|-0.00028429|0.00044551|0.00137387|-0.00160019|-0.00574953|-0.00062393|0.00018983|0.00094077|-0.00607856|-0.04508116|-0.00675981|0.00008641|-0.00001167|0.00004434|-0.00017724|0.00003521|0.00003224|0.00004620|-0.00015294|-0.00003847|-0.00024231|-0.00007138|0.00061169|0.00104615|-0.00002217|0.00074467|-0.00422424|0.00246536|-0.00256440|-0.00571665|-0.02462589|0.07629968|-0.00049334|-0.00006614|0.00082909|-0.00084877|0.00076606|-0.00209844|-0.00562412|-0.00192856|0.00512357|-0.02170869|0.01684599|-0.03168130|-0.13051008|0.05858920|-0.10184813|0.00932770|-0.00422077|0.01023151|-0.00024143|-0.00115396|-0.00040642|-0.00022351|-0.00008135|0.00062372|0.00041962|-0.00008025|-0.00008020|-0.00025955|0.00017801|0.00021877|-0.00010881|-0.00013951|-0.00032310|0.00313214|-0.00033815|-0.00036350|0.00008114|-0.00004008|0.00001443|-0.00025164|0.00026741|-0.00008675|0.00001991|0.00004095|-0.00006483|-0.00012098|-0.00003636|0.00013816|-0.00026815|-0.00008505|-0.00037692|0.00047448|0.00002765|0.00019270|0.00152276|-0.00046707|-0.00031560|0.14177916|-0.00013463|-0.00011493|0.00010273|-0.00016507|0.00031842|-0.00026944|-0.00099219|0.00083869|0.00072111|-0.00162437|0.00134075|-0.00262199|0.06324868|-0.10949431|0.09222264|0.02054477|-0.02073184|0.02653350|-0.00383396|-0.00114219|0.00118742|0.00041923|-0.00038193|0.00163429|0.00058756|0.00010912|-0.00039761|0.00027283|-0.00071540|0.00021148|-0.00000616|-0.00026410|-0.00036288|-0.00049998|0.00022791|0.00022641|0.00000731|0.00003652|-0.00000739|-0.00002773|0.00005406|-0.00001115|-0.00000832|0.00004952|-0.00004023|-0.00000407|-0.00000158|-0.00001495|0.00033301|-0.00003542|0.00014186|-0.00015299|0.00001967|-0.00018936|-0.00004988|0.00063001|-0.00072803|-0.06460031|0.11952202|0.00011315|0.00003624|-0.00005254|0.00050290|-0.00025686|0.00024661|0.00129566|-0.00003979|0.00013676|0.00577008|-0.00418501|0.00665224|-0.10728469|0.08978497|-0.20933377|-0.00015960|0.00214846|0.00068737|0.00120632|-0.00090124|-0.00038913|-0.00039731|0.00019394|-0.00004764|0.00000196|-0.00008822|0.00000143|0.00016938|-0.00014110|-0.00010747|-0.00020191|0.00001568|0.00025347|-0.00014380|-0.00008122|0.00111026|-0.00000167|0.00000523|-0.00000587|0.00002254|-0.00002711|0.00000484|-0.00000471|0.00000139|0.00000057|-0.00005371|-0.00000202|0.00002715|0.00022514|-0.00000394|0.00012409|0.00007666|-0.00012374|-0.00001052|-0.00078725|-0.00054424|0.00028105|0.11597792|-0.09995114|0.22490322|0.00005207|-0.00011990|-0.00019862|0.00020113|-0.00017739|0.00058207|0.00131187|0.00003400|-0.00044061|-0.00298685|0.02086493|0.03319212|-0.07312155|0.02688713|0.04544617|0.00286165|-0.00644302|-0.01149121|-0.00031171|-0.00167494|0.00063491|-0.00065175|-0.00009030|0.00066300|0.00048244|0.00001865|-0.00026468|0.00059464|-0.00114409|-0.00062726|-0.00027140|-0.00044300|0.00239431|-0.00958615|-0.00015302|0.00066156|-0.00005703|0.00005273|-0.00005411|0.00006998|-0.00004039|0.00002342|-0.00000995|0.00002788|-0.00000065|0.00000873|-0.00001519|-0.00007725|-0.00047811|-0.00003424|-0.00036541|-0.00013237|0.00016400|-0.00022641|0.00168024|-0.00038468|-0.00021152|0.00450183|-0.01122080|-0.01655256|0.07550891|-0.00003251|-0.00005754|0.00003962|0.00014985|-0.00008652|-0.00003114|-0.00013260|0.00004704|0.00000482|-0.00036690|0.00061539|0.00264825|0.02740151|-0.13108987|-0.11953052|0.00881050|-0.02418074|-0.03224325|-0.00485189|-0.00299292|0.00201150|-0.00066685|0.00030139|-0.00037933|0.00031204|0.00008072|-0.00006116|-0.00025528|-0.00016167|0.00035069|-0.00019505|0.00029061|-0.00002550|-0.00101990|0.00125488|0.00049660|0.00002606|0.00002083|0.00000993|-0.00001329|0.00001750|0.00000340|-0.00001334|0.00002349|-0.00003679|-0.00004110|0.00001628|0.00003965|0.00023275|0.00016120|0.00010804|0.00008785|-0.00021217|-0.00004571|0.00035964|0.00072638|0.00050980|-0.00449685|0.01003805|0.01340171|-0.02686431|0.14478720|-0.00001755|0.00006957|0.00008712|0.00027510|-0.00013712|-0.00015090|-0.00017780|0.00011814|0.00024829|-0.00125907|-0.00306798|-0.00586966|0.04667316|-0.11905377|-0.24694530|-0.00047298|0.00521222|0.00727825|-0.00063261|0.00080637|0.00005527|0.00005018|0.00012981|-0.00015225|-0.00004079|-0.00004582|0.00006509|-0.00041692|0.00049801|0.00016470|-0.00020546|0.00029379|-0.00031037|0.00322995|-0.00012505|0.00089009|0.00004329|-0.00001880|0.00005212|-0.00000614|-0.00000185|-0.00001255|-0.00000853|-0.00000444|-0.00001292|0.00003551|0.00002783|0.00001402|0.00027427|0.00003204|0.00037059|0.00015945|-0.00004109|0.00004144|0.00029201|0.00066470|-0.00002505|0.00563666|-0.01471480|-0.02457160|-0.05280691|0.13020402|0.26802387|0.00001301|-0.00000360|0.00001258|-0.00000458|0.00004175|-0.00001928|0.00030420|-0.00011152|0.00020851|0.00106098|-0.00283667|0.00015134|-0.00755299|0.00133125|0.00602401|-0.30560616|-0.00716785|0.12676889|-0.01085171|-0.00215061|0.00954681|0.00461619|0.00248019|0.00474597|-0.00060573|0.00001064|0.00015327|-0.00006932|-0.00017095|-0.00032953|0.00005636|-0.00001091|0.00005523|0.00015418|0.00022041|-0.00003607|-0.00002713|-0.00001343|-0.00003020|-0.00002351|0.00001336|0.00000413|0.00001399|-0.00000033|0.00002740|-0.00001192|-0.00000596|-0.00001219|-0.00006362|-0.00007965|-0.00002566|0.00010217|0.00013834|0.00007877|-0.00093776|-0.00010743|0.00014156|-0.00029307|-0.00113019|0.00038413|0.00052738|0.00004934|-0.00066472|0.32007231|-0.00005200|-0.00006711|0.00009885|0.00001458|0.00005374|-0.00016078|0.00031488|-0.00008357|0.00035358|0.00098564|-0.00719866|0.00039177|-0.03252850|0.00159485|0.01337845|-0.01231627|-0.06809098|0.00575435|0.03290263|0.00194024|-0.01704109|0.00002451|-0.00464236|-0.00048161|0.00138763|0.00027354|-0.00085510|0.00025316|-0.00051699|0.00036599|0.00013912|-0.00032495|-0.00008680|-0.00034707|0.00071001|-0.00003426|0.00001464|0.00002451|-0.00000560|-0.00003628|0.00004214|-0.00000595|-0.00001340|0.00004382|-0.00004708|0.00003948|0.00001812|0.00002345|-0.00001347|0.00003492|-0.00001772|-0.00007179|0.00012799|-0.00018137|-0.00211453|-0.00033312|0.00042197|0.00097912|0.00039361|0.00050215|0.00007007|0.00156739|-0.00068808|0.00898052|0.07389074|-0.00000830|-0.00001165|-0.00000381|-0.00000805|-0.00002402|0.00000864|0.00007012|-0.00019345|0.00010929|-0.00113697|0.00107242|0.00101265|0.00606042|-0.00229144|0.00204095|0.12713094|0.00385511|-0.11102533|0.01038676|0.00152289|0.00297465|0.00539490|-0.00154573|0.01197460|0.00100171|-0.00009798|-0.00114262|-0.00087162|-0.00001695|0.00010262|-0.00006767|0.00003980|0.00014247|-0.00012110|0.00002946|-0.00001070|0.00000687|0.00000529|0.00001142|0.00001004|-0.00000881|-0.00000690|0.00000303|0.00000852|-0.00000190|-0.00000053|0.00002975|0.00000339|-0.00000018|-0.00002004|0.00001909|0.00013788|0.00007736|0.00005431|0.00044983|-0.00006544|-0.00011246|-0.00061460|-0.00071612|0.00000007|-0.00059875|0.00080379|0.00107262|-0.14222284|-0.00162337|0.10091662|0.00003587|-0.00004124|-0.00005994|0.00008008|0.00006243|0.00017769|-0.00005084|0.00002362|-0.00017895|-0.00030614|0.00070106|0.00041856|0.00180706|0.00119223|0.00656884|0.01165902|0.01546206|-0.00214325|-0.14613521|-0.12803401|0.04874670|-0.01244814|-0.02687674|0.01127095|0.00062226|-0.00053444|0.00042294|-0.00375890|0.00310531|0.00046570|-0.00023398|0.00018634|0.00106180|0.00085206|-0.00038921|-0.00059377|-0.00004437|-0.00000276|-0.00003768|0.00000892|-0.00000874|0.00000906|0.00000868|0.00000327|0.00003837|-0.00002138|-0.00003288|-0.00007753|-0.00003614|-0.00005405|-0.00003802|-0.00007196|-0.00003765|0.00008684|0.00022427|-0.00008717|-0.00019239|-0.00039615|-0.00108166|-0.00011719|0.00043594|0.00144814|-0.00011699|-0.00055649|0.00121892|-0.00484632|0.14869384|-0.00002864|-0.00004241|0.00004728|-0.00000965|0.00002003|-0.00007619|-0.00006615|-0.00000525|0.00015278|0.00064236|0.00027651|-0.00020896|0.00396869|-0.00047002|-0.00223553|-0.01875024|-0.02713479|0.00889083|-0.12701947|-0.26679442|0.06556429|0.00559176|0.00569981|-0.00247799|0.00143230|0.00078541|-0.00095517|0.00147249|0.00008675|-0.00068309|0.00005165|0.00002302|-0.00019835|-0.00040548|0.00029582|0.00013015|-0.00000707|-0.00000090|-0.00001496|-0.00002324|0.00002774|-0.00000387|0.00000646|0.00002258|0.00000212|-0.00001341|-0.00000362|0.00001173|-0.00001635|-0.00002360|-0.00000391|0.00000166|-0.00002583|0.00003134|-0.00017782|0.00001704|0.00004417|-0.00004916|-0.00076805|0.00016036|-0.00023920|-0.00133238|0.00003569|0.00046815|0.00070867|-0.00019636|0.13297201|0.28785615|-0.00005376|-0.00003084|0.00005417|-0.00002330|-0.00005145|-0.00013036|-0.00010127|0.00008211|-0.00011902|0.00040019|0.00043341|-0.00047901|0.00556987|-0.00130280|0.01153682|-0.00176276|-0.01021294|0.00711850|0.04702033|0.06811876|-0.06899591|0.01198936|0.01155667|-0.00286705|-0.00126290|0.00116897|-0.00097684|0.00376372|-0.00004915|0.00117006|0.00050326|-0.00009142|-0.00097838|-0.00061159|-0.00029331|0.00022099|0.00002208|-0.00000204|0.00001980|-0.00000229|0.00002014|-0.00001560|0.00000802|0.00001674|-0.00000181|0.00000718|0.00001491|0.00005533|-0.00005051|-0.00005802|0.00004643|-0.00009140|-0.00013455|0.00007459|0.00008182|0.00006868|-0.00000464|-0.00082729|-0.00278983|0.00002719|0.00044673|0.00177672|-0.00039941|-0.00457607|-0.00023734|-0.00749108|-0.06040958|-0.06762934|0.06161788|-0.00006155|-0.00001787|-0.00010459|0.00005706|-0.00003390|0.00011436|-0.00007319|-0.00009770|0.00001614|-0.00002719|-0.00011306|-0.00002475|0.00005243|0.00002127|0.00008089|0.00039948|-0.00018766|-0.00022780|-0.00141195|0.00014965|-0.00447621|0.01118410|0.01194698|-0.00775971|-0.12470972|-0.09550178|0.08844840|0.00125603|0.00379220|0.00489347|0.00020425|0.00121155|-0.00043969|0.00152698|0.00032397|-0.00074525|-0.00003196|-0.00010155|-0.00003646|0.00009218|0.00006549|-0.00001440|-0.00009210|-0.00006119|0.00017497|-0.00002189|-0.00002195|-0.00007309|0.00001277|-0.00000073|-0.00002424|0.00005308|0.00002434|0.00001997|-0.00001225|-0.00001045|-0.00002964|-0.00003706|-0.00003928|0.00001713|0.00004791|-0.00001662|-0.00002097|0.00016487|-0.00013225|0.00020774|-0.00032080|0.00012494|0.00013730|0.11971411|-0.00001974|-0.00015920|-0.00007295|0.00001962|-0.00004593|0.00029412|-0.00000801|-0.00011444|-0.00003717|-0.00026449|0.00050044|0.00055900|-0.00013112|0.00005922|0.00011744|0.00054184|0.00016423|-0.00029417|-0.00344311|0.00001118|-0.00173345|-0.01696767|-0.01802974|0.02068494|-0.08961394|-0.22105367|0.12403087|0.00533637|-0.00253192|0.00033976|0.00012102|0.00082329|-0.00060159|0.00002354|-0.00137947|0.00134644|-0.00005683|0.00002555|-0.00003789|-0.00000660|0.00002004|0.00000363|-0.00004982|-0.00000952|0.00001494|-0.00004576|-0.00002722|-0.00013514|-0.00001541|0.00000291|-0.00008034|0.00000801|0.00005255|0.00000134|0.00005365|-0.00005154|-0.00014447|-0.00000498|0.00004620|0.00001147|0.00013636|0.00007307|-0.00005096|0.00012220|-0.00005467|0.00009746|0.00120949|0.00014535|-0.00033548|0.09934422|0.23190772|-0.00005273|-0.00009645|0.00002874|0.00000154|-0.00019555|0.00007026|-0.00002710|-0.00008358|0.00001912|-0.00001964|-0.00003764|-0.00020951|0.00017465|0.00001542|0.00010201|-0.00013078|-0.00046596|0.00010296|-0.00186204|-0.00306271|-0.00631707|0.00252659|0.00245698|0.00374669|0.08562778|0.12726648|-0.14386847|0.00381129|0.00356065|0.00847371|0.00002794|0.00110639|-0.00084930|0.00117667|0.00005652|-0.00024788|0.00000794|0.00002870|0.00001998|-0.00000570|0.00001456|-0.00001152|-0.00003826|0.00003363|-0.00004652|-0.00002029|0.00001815|-0.00006241|0.00000090|0.00002628|-0.00000675|0.00006366|0.00005251|0.00002822|-0.00002229|0.00002817|0.00001712|-0.00004737|-0.00003613|0.00000874|0.00004444|0.00000688|-0.00000287|0.00017171|0.00000813|0.00035205|-0.00054943|-0.00073597|0.00088382|-0.09558822|-0.13983936|0.14052543|0.00013008|0.00011888|-0.00033762|-0.00000709|-0.00001756|0.00005300|-0.00004306|-0.00001612|0.00005710|-0.00013528|-0.00014974|0.00021375|0.00001620|-0.00018389|0.00008515|-0.00085025|0.00006027|0.00032626|0.00343783|0.00455889|0.00479770|-0.00686003|0.00065411|0.00858364|-0.29095701|0.06786575|0.13117483|-0.00158773|-0.00293385|-0.00230949|0.00012320|0.00024191|0.00002816|0.00019350|-0.00010954|-0.00019104|-0.00005727|-0.00007897|0.00002344|-0.00001515|0.00000039|0.00002619|-0.00022124|-0.00042497|-0.00012568|0.00002014|-0.00001203|-0.00000827|0.00003486|0.00003810|-0.00000953|-0.00001396|0.00004089|-0.00007171|0.00004490|0.00000343|-0.00006430|0.00001103|0.00004652|-0.00001489|-0.00002096|0.00004413|0.00001251|-0.00042928|0.00028705|-0.00047696|0.00046768|0.00011432|-0.00029845|-0.00739861|0.00423105|0.00543797|0.30377872|-0.00009483|-0.00022091|0.00012443|0.00004585|-0.00017408|-0.00012410|0.00003122|0.00006009|0.00003246|0.00024606|-0.00003728|-0.00028222|0.00009297|0.00017233|0.00017015|0.00163585|0.00094512|-0.00075334|0.00152543|-0.00487219|0.00515422|0.03116071|-0.00163818|-0.01612324|0.06185426|-0.08421792|-0.02353852|0.00027276|0.00032990|-0.00227912|-0.00076459|-0.00091969|0.00015639|-0.00084300|0.00088998|0.00018579|0.00005816|0.00016889|0.00005334|-0.00008295|-0.00000228|-0.00001897|-0.00005451|-0.00000973|-0.00038190|-0.00001957|0.00008099|0.00003941|-0.00002341|-0.00000484|0.00003296|0.00005779|-0.00002100|0.00005343|-0.00006991|0.00001421|0.00008088|-0.00004884|-0.00010343|0.00000841|-0.00010967|-0.00007343|0.00001854|-0.00006274|-0.00043391|-0.00069352|0.00033139|0.00046629|-0.00027394|-0.02041688|0.00992875|0.01064580|-0.07499351|0.07993412|-0.00025007|-0.00053746|0.00039471|0.00025196|-0.00007007|0.00007378|-0.00002330|0.00004584|-0.00001487|0.00017056|-0.00010278|0.00009359|0.00020447|-0.00008829|0.00004212|-0.00061046|0.00032324|0.00042402|0.00440767|0.00357664|0.00936275|-0.00171407|0.00185631|0.00787833|0.13349977|-0.02622998|-0.11820640|-0.00306948|-0.00165062|-0.00382057|-0.00056484|-0.00071906|0.00084404|-0.00083827|0.00011343|-0.00020743|0.00011501|0.00030661|0.00000138|0.00000006|0.00002459|-0.00002292|0.00007378|0.00004917|-0.00052679|-0.00008121|0.00012395|-0.00004687|0.00001723|0.00001947|-0.00000016|0.00005987|0.00001045|-0.00003372|-0.00005361|-0.00000557|-0.00000708|-0.00006529|-0.00008245|0.00001373|-0.00013459|-0.00009036|0.00002313|-0.00060565|0.00016351|-0.00094635|-0.00025500|0.00032475|-0.00030512|0.01496379|-0.00490892|-0.00389470|-0.14579542|0.02767487|0.10985574|0.00045556|-0.00018114|0.00032385|-0.00151867|-0.00628714|0.00376510|-0.00022133|0.00020286|-0.00022013|0.00118654|0.00434776|-0.00078444|0.00025900|-0.00023969|-0.00006532|-0.00009688|0.00025858|-0.00012052|-0.00017651|-0.00136732|-0.00072061|0.00448552|0.00187023|0.01672992|0.00012873|0.00025258|0.00054925|-0.06095304|-0.01662709|-0.04043334|-0.00454716|-0.00855001|-0.03860237|0.00331247|0.00128535|0.02107208|-0.00008554|0.00011352|-0.00007723|-0.00007474|0.00003579|0.00002541|-0.00005117|0.00020474|-0.00004995|-0.00086502|-0.00071089|-0.00217936|0.00019780|0.00002728|-0.00015677|0.00006196|-0.00002942|-0.00014545|-0.00026023|0.00078950|0.00100600|-0.00002161|0.00011678|0.00002188|-0.00004627|0.00001770|-0.00001871|0.00001212|0.00003101|0.00011115|-0.00036251|-0.00003305|-0.00004907|-0.00057045|-0.00040773|-0.00070465|0.00030263|0.00029981|0.00033077|0.05860536|-0.00010860|-0.00020320|0.00012327|0.00087775|-0.00026777|0.00073707|0.00031402|-0.00052180|-0.00073563|-0.00574954|-0.00359181|0.00231594|-0.00042716|0.00016623|0.00027030|-0.00006554|-0.00003729|-0.00001086|0.00064020|-0.00157887|0.00044155|0.00103420|0.00505093|0.02403341|-0.00168864|-0.00043948|0.00187220|-0.01405967|-0.07102258|-0.07256388|-0.00156285|-0.00382945|-0.00188040|-0.00018125|-0.02311276|-0.03619422|0.00001328|0.00005534|-0.00003944|-0.00001511|0.00006199|0.00000259|-0.00003481|0.00010911|-0.00008495|0.00004893|0.00009402|-0.00011340|-0.00012324|0.00027600|-0.00038418|-0.00005638|0.00003760|-0.00024930|0.00040105|-0.00093052|-0.00149621|0.00010069|0.00006718|0.00002893|0.00018351|0.00007338|-0.00004962|0.00002539|0.00017925|-0.00002210|-0.00030947|0.00006915|-0.00011753|-0.00031807|-0.00016311|-0.00080522|0.00057820|-0.00014774|-0.00002079|0.02171389|0.09937950|0.00014706|0.00006178|-0.00005422|-0.00040768|-0.00019823|0.00078528|0.00014905|0.00040722|0.00048149|-0.00051141|0.00025582|0.00145473|-0.00014209|0.00007201|-0.00009017|0.00011114|-0.00037043|0.00008775|-0.00057714|0.00216740|-0.00036754|-0.00139240|-0.00299310|-0.02113926|0.00197576|0.00022717|0.00128809|-0.04046923|-0.08128647|-0.33780295|0.00170859|-0.00017249|-0.00234609|-0.00022996|-0.00384386|0.00503927|-0.00004488|-0.00001001|-0.00000963|-0.00006920|-0.00001252|0.00001456|0.00002539|-0.00002922|0.00003362|-0.00002967|-0.00002913|-0.00023974|-0.00002548|-0.00004386|0.00006521|-0.00005104|0.00002319|0.00008552|0.00003211|-0.00010184|-0.00017122|0.00004779|-0.00008068|0.00003496|0.00004234|-0.00002939|0.00000633|0.00004174|-0.00003546|-0.00003697|0.00043772|0.00000804|-0.00011151|0.00051475|0.00076855|0.00110619|-0.00109228|0.00000320|-0.00093381|0.03973443|0.08554991|0.35167253|0.00078920|-0.00035060|0.00067544|0.01298562|0.00136701|-0.01225796|-0.00191628|-0.00032398|-0.00306915|-0.00400821|-0.00333768|-0.00164763|0.00021761|0.00080769|0.00155414|0.00013120|0.00009074|-0.00012252|0.00003992|-0.00065234|0.00028316|-0.00125761|0.00168161|-0.00089373|-0.00007028|-0.00016045|0.00023415|-0.01152581|0.00006262|0.01062934|-0.16703794|-0.02560883|0.14114942|-0.01909184|0.00040732|0.01570371|-0.00010387|-0.00009278|0.00014735|-0.00011037|0.00006468|0.00025634|-0.00005406|0.00006195|-0.00006541|0.00084708|0.00050329|0.00091781|0.00092094|-0.00030578|-0.00033034|0.00030936|-0.00008057|-0.00012122|0.00021101|0.00019250|0.00002573|0.00013719|-0.00000511|-0.00006555|-0.00061061|0.00002699|0.00018404|-0.00006448|-0.00001741|0.00000248|-0.00015265|-0.00000786|0.00017038|0.00000351|-0.00011215|-0.00000458|0.00003614|-0.00002786|-0.00003369|0.00084343|-0.00123078|0.00007459|0.18853181|-0.00042046|-0.00029752|-0.00028094|0.00216221|0.00129651|-0.00379201|0.00106890|-0.00012784|-0.00089496|0.00519841|0.00135448|-0.00051997|0.00006824|-0.00117664|-0.00168801|-0.00017577|-0.00044300|0.00006916|-0.00012413|-0.00132370|0.00084711|-0.00464169|0.00288738|-0.00185551|-0.00023801|-0.00004975|0.00025012|-0.01287624|-0.00533749|0.02668917|-0.03164740|-0.05927793|0.03604201|0.01009228|0.00669443|-0.02524934|0.00003292|0.00008711|-0.00017624|0.00022737|-0.00000548|0.00002549|-0.00002687|0.00004802|-0.00002787|0.00071119|0.00058313|-0.00002917|-0.00001645|0.00007021|-0.00028873|0.00028977|-0.00006510|-0.00031042|-0.00000198|-0.00019898|0.00007224|0.00004232|0.00006145|0.00004671|0.00071488|0.00009243|-0.00011136|-0.00002970|0.00014277|-0.00001489|-0.00042625|0.00010094|0.00035289|0.00006633|-0.00014004|0.00003333|0.00003627|-0.00011409|-0.00010650|0.00286609|0.00022670|-0.00030759|0.02704779|0.05491200|0.00057200|-0.00094366|-0.00054073|0.02109889|0.00479695|-0.01659896|-0.00330661|-0.00157537|-0.00391251|-0.00131650|0.00024254|-0.00067810|0.00003440|-0.00006899|0.00034791|-0.00005389|-0.00006355|0.00005603|-0.00000048|-0.00024378|0.00022932|-0.00088565|0.00062205|0.00002173|0.00018035|-0.00004769|-0.00000726|-0.00628380|-0.00210476|0.00415907|0.14611262|0.03051274|-0.25541387|-0.00342706|-0.00180463|0.00875768|-0.00060602|0.00030785|0.00002792|-0.00080172|0.00051144|0.00011991|-0.00000424|0.00002151|0.00006852|-0.00028420|-0.00061107|0.00156084|0.00145910|-0.00036984|-0.00077968|0.00018872|0.00005523|-0.00015474|0.00010823|-0.00003735|0.00001808|0.00016543|0.00003275|0.00000479|-0.00008053|0.00005772|0.00005993|0.00000617|0.00003940|-0.00001730|-0.00008911|0.00001617|0.00005018|-0.00002386|0.00000194|0.00003195|-0.00002405|0.00003459|-0.00004051|0.00065809|-0.00060747|0.00114759|-0.15339628|-0.02877471|0.26148222| 161.12045 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 92.0729 139.7496 201.7873 240.2814 243.9201 301.4428 333.8374 381.9867 393.2465 442.1368 472.0184 545.3280 597.2313 638.1529 689.9828 722.4346 774.0904 800.0381 851.0130 869.1956 886.1318 930.4462 943.7328 976.6844 987.8881 1019.9512 1041.5567 1060.7404 1079.4955 1102.7083 1131.7197 1153.1037 1188.3259 1196.5600 1219.8998 1227.7541 1248.9683 1285.4941 1334.4717 1343.7453 1371.9634 1408.8592 1426.4124 1463.4855 1483.5038 1492.6630 1500.7018 1522.4041 1532.9851 1541.8551 1548.9112 1565.6696 1589.9866 1608.6642 1618.9089 1643.8383 1649.8953 1660.3365 1826.6102 1894.8649 3177.7765 3186.2921 3203.3628 3212.8635 3215.9709 3237.7159 3253.3611 3288.4186 3295.8613 3297.0514 3318.0764 3319.2119 3332.1130 3346.1554 3409.4759 3.0760 3.1829 2.2886 2.9556 1.1230 2.5855 3.3369 2.6245 3.3163 2.5942 3.6201 3.1402 2.8811 4.0008 3.6969 1.3135 3.4960 2.3118 1.8371 2.5363 2.2348 2.8455 2.7109 2.5299 2.1693 2.5164 1.4155 1.4417 1.8702 1.9880 1.2803 1.8572 1.8232 1.9372 1.3836 1.9079 1.6218 1.7679 1.5151 1.4251 1.1749 1.3045 1.6893 1.4521 1.3912 1.4206 1.4702 1.5187 1.5565 1.6051 1.5248 1.3139 1.9090 1.6225 1.1082 1.0544 1.0542 1.0997 4.5509 6.5175 1.0838 1.0640 1.0407 1.0890 1.0971 1.0685 1.1023 1.0992 1.0992 1.0873 1.0852 1.0921 1.0641 1.0938 1.1172 0.0154 0.0366 0.0549 0.1005 0.0394 0.1384 0.2191 0.2256 0.3022 0.2988 0.4752 0.5502 0.6055 0.9599 1.0370 0.4039 1.2343 0.8718 0.7839 1.1290 1.0339 1.4514 1.4225 1.4219 1.2474 1.5423 0.9048 0.9558 1.2841 1.4243 0.9661 1.4549 1.5169 1.6342 1.2132 1.6945 1.4906 1.7213 1.5897 1.5161 1.3030 1.5255 2.0251 1.8325 1.8039 1.8649 1.9508 2.0738 2.1551 2.2482 2.1554 1.8977 2.8434 2.4738 1.7112 1.6787 1.6908 1.7861 8.9462 13.7876 6.4486 6.3647 6.2922 6.6234 6.6856 6.5995 6.8744 7.0030 7.0352 6.9640 7.0394 7.0888 6.9609 7.2154 7.6515 0.0218 0.1583 0.2554 0.5690 0.0082 0.6962 0.6614 0.8578 1.4881 1.5200 0.4810 0.6745 7.0099 2.3172 0.1681 12.5990 9.2225 13.2293 1.3338 3.5257 13.2460 3.4703 9.1872 1.2039 6.1444 0.8773 1.2005 41.3106 11.4527 14.5434 0.6927 1.5832 0.3776 4.3840 1.3349 1.6441 5.4563 6.7422 4.8654 6.2896 1.9326 1.1996 14.0704 7.8116 0.2797 8.4433 10.3100 8.1121 6.1979 1.4557 3.4721 3.2696 0.9091 17.2306 2.0337 2.9115 1.4479 2.3177 5.2312 6.4686 29.4866 26.9320 47.7558 49.1945 38.7845 50.1889 45.8505 17.6593 48.3454 16.4675 14.4288 53.8090 12.9636 43.5465 17.8679 4.0969 4.1526 1.6635 2.9681 0.1351 1.3596 4.4325 0.8640 2.7534 2.5751 1.9710 5.1929 15.9147 5.1138 6.2531 3.7553 6.5335 3.4922 7.7960 11.4771 5.2048 2.8438 7.3783 4.2928 1.6568 2.6241 3.2461 5.3368 3.7019 1.7226 5.5607 6.5074 2.9830 7.0159 2.0182 4.2885 2.5157 2.5828 7.6591 4.1161 13.0015 10.7350 13.6786 16.5030 1.9265 7.0085 3.5968 16.8403 2.8926 13.4350 6.8223 1.9880 36.6042 20.9787 23.0391 23.1365 7.5806 9.0146 19.5605 240.3912 69.2195 115.8168 110.5467 89.6339 147.1270 153.9966 88.0012 17.2801 28.9565 71.7344 57.4049 163.4381 55.7212 197.7542 79.1694 0.6956 0.6546 0.7221 0.5897 0.7472 0.6185 0.6503 0.7476 0.7424 0.5975 0.7417 0.3388 0.3478 0.5931 0.2710 0.4769 0.3153 0.2857 0.2030 0.1901 0.7265 0.6899 0.5024 0.6424 0.4976 0.7182 0.7463 0.7474 0.4928 0.4063 0.5248 0.7472 0.5761 0.5583 0.6525 0.7483 0.3220 0.4677 0.7462 0.7493 0.6621 0.4546 0.2567 0.6333 0.1987 0.5200 0.7072 0.5356 0.6925 0.4301 0.6023 0.6056 0.5842 0.2546 0.5514 0.6296 0.7444 0.7310 0.2415 0.2623 0.5251 0.2418 0.0595 0.3959 0.5147 0.1383 0.7214 0.7475 0.7500 0.5320 0.6055 0.2152 0.1488 0.1673 0.7456 0.8205 0.7912 0.8386 0.7419 0.8553 0.7643 0.7881 0.8556 0.8521 0.7480 0.8517 0.5062 0.5161 0.7446 0.4264 0.6458 0.4795 0.4444 0.3375 0.3195 0.8416 0.8165 0.6688 0.7822 0.6645 0.8360 0.8547 0.8554 0.6602 0.5779 0.6884 0.8553 0.7310 0.7165 0.7897 0.8560 0.4871 0.6373 0.8547 0.8567 0.7967 0.6250 0.4085 0.7755 0.3315 0.6842 0.8285 0.6976 0.8183 0.6015 0.7518 0.7544 0.7375 0.4059 0.7109 0.7727 0.8535 0.8446 0.3890 0.4156 0.6886 0.3895 0.1124 0.5672 0.6796 0.2430 0.8381 0.8555 0.8571 0.6945 0.7543 0.3541 0.2591 0.2866 0.8542
298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 6 6 6 6 6 6 6 6 6 6 6 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783
1343.88984 1761.35056 2306.22739 0.99927 -0.03781 0.00460 0.03778 0.99926 0.00728 -0.00487 -0.00710 0.99996 1 0.06445 0.04917 0.03756 1.34292 1.02463 0.78255 132.47 201.07 290.33 345.71 350.95 433.71 480.32 549.59 565.79 636.14 679.13 784.61 859.28 918.16 992.73 1039.42 1113.74 1151.08 1224.42 1250.58 1274.95 1338.70 1357.82 1405.23 1421.35 1467.48 1498.57 1526.17 1553.15 1586.55 1628.29 1659.06 1709.74 1721.58 1755.16 1766.46 1796.99 1849.54 1920.01 1933.35 1973.95 2027.03 2052.29 2105.63 2134.43 2147.61 2159.18 2190.40 2205.62 2218.39 2228.54 2252.65 2287.64 2314.51 2329.25 2365.12 2373.83 2388.85 2628.08 2726.29 4572.11 4584.36 4608.92 4622.59 4627.06 4658.35 4680.86 4731.30 4742.01 4743.72 4773.97 4775.61 4794.17 4814.37 4905.48 0.256375 0.265746 0.266690 0.222100 -479.393572 -479.384201 -479.383257 -479.427846 1.495522D-04
MUNgauss RevisionA2.1 retrievium 30-Sep-2022 GDB_13 Smiles: CC1CC2CC=CC(=C)C3C1N23 RHF 6-31G(d) (6D,10F) C1 161.120450 |X|Y|Z| 29.177862 24.689155 17.261266
23.167408 10 6 7 9 1
|36.858105| |12.478148|36.858105| |7.349230|12.396613|36.858105| |5.013983|7.882791|12.340931|36.858105| |3.808639|5.021765|7.295797|12.501882|36.858105| |3.674515|4.425603|5.957676|7.356018|12.646408|36.858105| |4.051014|4.626972|5.672086|6.157468|7.420232|14.378353|36.858105| |5.183379|5.859602|6.209777|6.273594|5.905332|7.521663|12.875931|36.858105| |5.121210|4.981193|4.852518|4.500217|4.230833|5.195976|7.859173|14.364938|36.858105| |5.504979|7.237463|6.635733|7.678787|6.005538|6.059715|7.335120|12.636948|7.786504|36.858105| |7.356988|12.505945|7.942641|8.098198|5.252197|4.691784|5.076450|7.091740|5.601244|12.860661|36.858105| |5.056287|7.813379|7.833474|13.006856|7.689004|6.069962|5.951092|7.220016|5.047877|13.144118|13.110997|53.358707| |17.540128|8.811573|6.619266|4.437598|3.493088|3.339469|3.560120|4.218965|4.175865|4.311274|5.424366|5.692156|0.500000| |17.533348|8.787492|5.406648|4.195146|3.265468|3.153679|3.480914|4.466110|4.580002|4.958446|6.703162|6.140101|0.302060|0.500000| |17.593970|8.774019|6.685110|4.736031|3.825441|3.934973|4.595924|6.135556|6.623462|5.765773|6.568622|6.547553|0.301537|0.301208|0.500000| |8.950673|17.495895|8.901329|6.754246|4.418697|3.740941|3.751874|4.458240|3.896633|5.526435|9.095016|8.944758|0.215896|0.213498|0.173849|0.500000| |6.208167|8.700705|17.557417|8.712107|6.153519|4.933086|4.504950|4.634735|3.871349|4.836478|5.746585|7.811115|0.177844|0.131941|0.151908|0.223390|0.500000| |7.042645|8.769167|17.604807|8.688434|6.945148|6.800762|6.939572|7.304225|5.751943|6.424349|6.528227|8.706111|0.177903|0.141682|0.207531|0.175303|0.303506|0.500000| |4.399600|6.690264|8.891741|17.545104|9.020198|5.485567|4.600847|4.652337|3.610446|5.700831|6.593629|12.743254|0.112612|0.106032|0.111049|0.186687|0.225286|0.174983|0.500000| |3.270740|4.226436|5.418532|8.937481|17.508024|8.969861|5.995793|4.986534|3.706714|5.392125|4.692400|9.663126|0.083324|0.080692|0.090431|0.107704|0.132582|0.140209|0.220895|0.500000| |3.507001|4.455779|6.625211|8.929901|17.501862|9.033501|5.776007|4.651519|3.597587|4.582814|4.303805|7.640840|0.093058|0.083336|0.096900|0.113118|0.177393|0.176921|0.221046|0.304891|0.500000| |3.100856|3.584612|4.653993|5.420012|8.750311|17.665030|9.315568|5.510197|4.277591|4.542830|3.708474|6.220696|0.080399|0.075146|0.092038|0.087065|0.115034|0.146154|0.123887|0.204748|0.222224|0.500000| |3.518587|3.781556|4.435057|4.585415|5.452105|9.281112|17.681017|8.841369|7.344670|5.460785|4.044833|6.100780|0.087821|0.085740|0.112655|0.087565|0.103547|0.150036|0.101879|0.130721|0.129301|0.230944|0.500000| |4.289729|4.061458|4.141831|3.821573|3.792966|4.837557|7.204617|9.068005|17.707320|5.530279|4.301753|5.508017|0.102887|0.107047|0.152515|0.091630|0.096052|0.139382|0.087344|0.092805|0.092668|0.117191|0.222885|0.500000| |5.480306|4.993604|4.414011|4.039837|3.628976|4.139357|5.566441|9.064008|17.712905|7.155631|5.727556|6.412048|0.120174|0.145359|0.197454|0.110073|0.099705|0.137024|0.093179|0.090482|0.087108|0.096928|0.144559|0.289138|0.500000| |4.445368|5.373463|4.849151|5.665613|4.868893|5.004813|5.976788|8.930494|6.780954|17.665024|8.816446|12.460983|0.099680|0.118593|0.128812|0.124488|0.106203|0.131143|0.128841|0.131310|0.106559|0.110697|0.134708|0.139765|0.185844|0.500000| |6.230820|8.559720|5.650005|5.853370|4.180997|3.772838|4.046489|5.380190|4.665718|8.653006|17.670529|12.002864|0.132577|0.181091|0.151045|0.219251|0.126717|0.133620|0.148402|0.109418|0.098518|0.086417|0.093990|0.102763|0.140529|0.217815|0.500000|
479.370276 -2581.051073 959.391677 -69.213133 -1211.502253 731.852304 -479.649948 2.000583 4066000000000000 4190240067FFFFFD 41277A2F22E8BA2A 40FB94C000000000 C024000000000000 41882CD5B7FFFFFE