Version2.5 2023-01-02T10:20:47Z 10.1021/ja902302h Gaussian16 RevisionB.01 RPOIRIER 23-Dec-2022 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) GDB_13 Smiles: CC1NC2CC=NN=C(C)C2=C1 RHF 6-31G(d) (6D,7F) CC1NC2CC=NN=C(C)C2=C1 C1[X(C9H13N3)] 69 C1 206 CC1NC2CC=NN=C(C)C2=C1 CC1=NN=CCC2C1=CC(N2)C CC1NC2CC=NN=C(C)C2=C1 InChIKey=SGOSEIUORTXBIF-UHFFFAOYSA-N InChI=1S/C9H13N3/c1-6-5-8-7(2)12-10-4-3-9(8)11-6/h4-6,9,11H,3H2,1-2H3 InChI=1/C9H13N3/c1-6-5-8-7(2)12-10-4-3-9(8)11-6/h4-6,9,11H,3H2,1-2H3 CC1NC2CC=NN=C(C)C2=C1 C01[X(C9H13N3)] 69 C1 206 CC1NC2CC=NN=C(C)C2=C1 C[C@H]1N[C@@H]2[C@H](C1)[C@H](C)NNCC2 C[C@@H]1C[C@@H]2[C@H](C)NNCC[C@@H]2N1 InChIKey=ILHDNWYKYQKWQU-XAVMHZPKSA-N InChI=1S/C9H19N3/c1-6-5-8-7(2)12-10-4-3-9(8)11-6/h6-12H,3-5H2,1-2H3/t6-,7+,8-,9+/m1/s1 InChI=1/C9H19N3/c1-6-5-8-7(2)12-10-4-3-9(8)11-6/h6-12H,3-5H2,1-2H3/t6-,7+,8-,9+/m1/s1 5.111655787480D+02 -2.612149187682D+03 709.2504903032 -511.6397841 1-A 2072.4530 44 162 206 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -15.58552 -15.58191 -15.55208 -11.28728 -11.27198 -11.27159 -11.26984 -11.24637 -11.24428 -11.23352 -11.21982 -11.21880 -1.31768 -1.25128 -1.15435 -1.07715 -1.05727 -0.99193 -0.97680 -0.88622 -0.85635 -0.80631 -0.77093 -0.72898 -0.70117 -0.65708 -0.64659 -0.61309 -0.59833 -0.59193 -0.58094 -0.57795 -0.56435 -0.54162 -0.53223 -0.52534 -0.50426 -0.50018 -0.47979 -0.43158 -0.41361 -0.37477 -0.36998 -0.33542 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.10267 0.17796 0.22011 0.24675 0.25281 0.26645 0.27302 0.28748 0.30366 0.30498 0.30776 0.32341 0.32345 0.33063 0.33798 0.34512 0.37345 0.38302 0.39803 0.41489 0.42605 0.44457 0.44826 0.48747 0.52037 0.55159 0.57186 0.62999 0.64845 0.72522 0.73750 0.74877 0.76596 0.78051 0.78739 0.80966 0.81328 0.82734 0.83535 0.84906 0.86053 0.88222 0.88874 0.90890 0.93216 0.94976 0.95401 0.96520 0.97031 0.99485 1.01392 1.03742 1.04028 1.04810 1.06901 1.07957 1.10446 1.11126 1.12712 1.13635 1.14763 1.15335 1.15450 1.16869 1.18009 1.19147 1.19810 1.20411 1.21937 1.22786 1.24242 1.25200 1.25391 1.28448 1.29253 1.31279 1.35365 1.37647 1.43072 1.43788 1.47933 1.51028 1.53036 1.59332 1.61232 1.64007 1.68900 1.70770 1.73471 1.75299 1.76509 1.82595 1.83347 1.89251 1.92527 1.96174 1.97537 2.01038 2.05176 2.06889 2.09374 2.09909 2.12821 2.16848 2.17970 2.19061 2.23674 2.26021 2.27168 2.29372 2.30889 2.31297 2.33790 2.35229 2.37156 2.44289 2.46320 2.48950 2.49776 2.54478 2.57782 2.58655 2.60576 2.62988 2.64641 2.65190 2.69300 2.69925 2.72157 2.75278 2.76101 2.79461 2.82563 2.84258 2.90460 2.90933 2.94618 2.95726 2.99262 3.04226 3.06887 3.11456 3.14580 3.17934 3.21352 3.25733 3.37420 3.42906 3.53743 3.68735 4.31887 4.38418 4.52878 4.57274 4.60674 4.63968 4.66502 4.72550 4.82737 4.93350 5.01084 5.11243 11.92094 4.3381 -0.8838 -0.5092 4.4564 |XX|YY|ZZ|XY|XZ|YZ| -84.1817 -63.2068 -73.4868 3.1173 -4.4032 1.2984 |XX|YY|ZZ|XY|XZ|YZ| -10.5566 10.4183 0.1383 3.1173 -4.4032 1.2984 |XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| 61.3426 -11.8034 1.7759 -1.5485 -8.8892 -0.2547 0.8348 -0.8315 -3.9361 4.5402 |XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY| -1918.1935 -819.2135 -169.5872 -0.0386 -32.3593 2.8777 5.9965 -2.9637 3.4486 -410.5569 -332.0982 -176.6884 2.6472 -9.4648 -1.0247 0 |0.59608738|0.01484755|0.64661208|0.05192077|-0.01475302|0.62269811|-0.16466867|0.00753908|0.06877140|0.64613945|0.01485972|-0.09827119|-0.01824366|0.00611891|0.54077800|0.06534461|-0.01157007|-0.15666783|0.02597288|0.01573048|0.61706276|-0.01733225|0.03698830|-0.01026650|-0.14193570|0.05009805|-0.03730601|0.61492651|0.00822675|-0.01010949|0.00111341|0.03653866|-0.19566475|0.05050964|0.08344275|0.72927791|0.00770843|-0.01639390|0.00980948|-0.01413454|0.01171308|-0.08885665|0.06052461|0.12444369|0.27019057|-0.00129700|-0.00064869|-0.00136854|-0.03124447|0.01936077|0.00780534|-0.23122077|-0.00609302|0.01689153|0.59556229|0.00221175|-0.00707153|0.00273828|0.02966161|0.00209146|-0.01130090|-0.01975857|-0.11991946|-0.00384310|-0.04556785|0.60462781|0.00258456|-0.00059630|0.00046025|-0.01381155|0.00029932|-0.01246067|0.06750691|-0.00025266|-0.09118445|-0.00910525|0.04128757|0.61462614|0.00002840|0.00071275|-0.00039179|-0.00495898|-0.00446197|-0.00309230|-0.03083179|0.02364681|-0.01580170|-0.12195364|0.02516867|-0.04137362|0.51990804|0.00002053|0.00039998|0.00003176|-0.00125246|-0.00159777|0.00184792|-0.00298036|0.00430825|-0.00358179|0.03062663|-0.12196718|0.03438584|0.04558832|0.68201445|0.00021699|-0.00038193|0.00055129|0.00291765|0.00016796|0.00005991|0.00650503|-0.00736118|0.01147804|-0.05188571|0.04197869|-0.14812655|-0.04164714|0.03341057|0.61954539|-0.00007450|-0.00004068|-0.00010605|-0.00111342|0.00093801|0.00007297|-0.00113551|0.00123351|-0.00157848|-0.04195372|0.00496996|0.00258118|-0.21095265|-0.00535012|0.05445155|0.64312682|-0.00005435|-0.00000194|-0.00006541|0.00077501|0.00083929|0.00070605|0.00249714|-0.00030572|0.00256489|0.01411658|0.00162833|-0.01090333|0.00478191|-0.11666864|-0.00893842|0.15108100|0.99307214|-0.00008948|0.00045470|-0.00031233|-0.00111388|-0.00175550|-0.00019975|-0.00504031|0.00594804|-0.00212873|-0.01671254|-0.00761281|0.01582361|0.06532912|-0.00457650|-0.12829038|-0.23304325|-0.01949358|0.34208494|0.00002673|0.00048198|-0.00001349|0.00047396|-0.00186565|0.00005397|-0.00107502|0.00274467|-0.00061102|0.00498195|-0.00590877|0.00333263|-0.01069090|-0.03543520|0.02627569|-0.27811146|-0.23836244|0.11463142|0.40518530|0.00024412|0.00020985|0.00019566|-0.00043248|-0.00083636|-0.00248838|0.00073718|0.00108978|-0.00054347|0.00382755|-0.00049239|0.00363922|-0.01635578|0.00282636|0.00039960|-0.28559018|-0.53988952|0.13577821|0.22495823|0.86595694|-0.00000724|-0.00041431|0.00010824|0.00021613|0.00066787|0.00038370|0.00185720|-0.00170345|0.00181957|0.00176110|0.00259362|-0.00531826|0.01893097|0.01937342|0.02361781|0.12114080|0.10888516|-0.12840406|-0.15980845|-0.06673919|0.19601945|-0.00002372|-0.00160302|-0.00038548|-0.00148469|0.00309590|-0.00039191|0.00087360|-0.00181393|0.00041785|-0.00161058|0.00438403|0.00078958|-0.00281025|-0.00145223|-0.00731602|0.00787216|-0.01814530|-0.00058676|-0.10527675|0.07862981|0.01634279|0.74492178|-0.00047028|-0.00119354|-0.00041402|-0.00032278|0.00270848|0.00353263|-0.00037403|-0.00067427|0.00000114|0.00053264|0.00155571|-0.00023477|0.00648755|0.00561811|0.00367098|0.01239471|-0.07543313|-0.01890452|-0.00249783|-0.25060448|-0.05631273|-0.28301241|0.56543773|0.00026739|0.00047283|-0.00010668|-0.00068320|0.00062067|-0.00350249|-0.00060355|0.00001316|-0.00057140|-0.00244434|0.00041849|0.00000604|-0.00244433|0.00141261|-0.01018104|-0.01180546|0.00311983|0.01137116|0.01731008|-0.06886928|-0.09981926|0.02438958|0.08715340|0.13255260|-0.00060104|0.00131088|0.00028762|-0.00160887|0.00152217|-0.00097069|0.00086271|0.00582104|-0.00072419|0.00796213|-0.00709570|-0.00253462|0.00221832|0.00158038|-0.00262331|0.00343237|-0.01220835|-0.00615550|-0.01507692|0.01765489|0.01474075|-0.58480010|0.23213535|-0.03402685|0.92214812|0.00051788|0.00259770|0.00061990|0.00476868|-0.00607638|-0.00233171|-0.00145115|-0.00625855|-0.00152225|-0.02927396|-0.00488579|-0.00394498|-0.00075359|0.00025374|0.00119817|0.00679838|0.00471295|-0.00162730|0.05275523|-0.03853382|0.00147340|0.19520982|-0.23308573|-0.01933945|-0.17370632|0.69091904|-0.00160835|-0.00199173|-0.00032712|0.00074551|0.00049280|0.01490464|0.00035547|0.00070695|0.00048162|-0.00154455|-0.00193402|0.00105947|-0.00134608|0.00140225|0.00145813|0.00575874|0.00461884|-0.00174584|0.01320109|-0.01660198|0.00067131|-0.04281527|-0.00641823|-0.07088533|0.06496981|0.09284394|0.25080272|-0.00001947|-0.00016362|-0.00019771|0.00090317|-0.00001455|0.00013616|-0.00060819|-0.00231959|0.00002986|-0.00541890|0.00186886|-0.00167476|-0.00004487|0.00006374|-0.00007443|-0.00257614|0.00084403|0.00144882|-0.00044600|0.00477391|-0.00357836|-0.01288670|0.04521025|0.01383003|-0.09648053|-0.01207322|-0.00551364|0.69141903|0.00004894|0.00004071|0.00001254|0.00054062|-0.00054347|0.00028577|-0.00002598|-0.00014583|-0.00006500|-0.00002816|0.00100127|-0.00059057|-0.00033261|0.00005610|-0.00025524|-0.00014104|-0.00002837|-0.00031254|-0.00095912|0.00591523|-0.00353651|0.01660359|-0.03210176|-0.00450678|-0.00118767|-0.22866976|-0.03994797|0.00764841|0.56254425|0.00012223|0.00011807|0.00012316|0.00018289|0.00005522|-0.00074112|0.00020660|-0.00074386|-0.00004107|-0.00081048|0.00181974|0.00080165|0.00060010|-0.00062419|0.00106387|0.00053986|-0.00334960|-0.00017845|-0.00572824|-0.00560940|0.01889342|0.00991046|0.00580921|-0.00677967|-0.00697064|-0.04229323|-0.10150853|0.00850642|-0.01139258|0.61532128|-0.00022359|-0.00555357|-0.00236119|-0.04249587|-0.00109664|-0.00357089|-0.02373602|-0.04111573|-0.00328935|-0.10417257|0.00004815|0.00353940|0.00389819|0.02596494|-0.00144833|0.00349851|0.00320193|0.00070306|0.00447300|-0.00968154|-0.00210207|-0.05688644|-0.00357121|-0.01107883|-0.19781826|-0.05839685|-0.03541877|0.00311242|-0.00580604|0.00028227|0.92539830|-0.00221858|-0.00499027|-0.00060230|-0.01789216|0.01510245|0.00162537|-0.01760928|-0.01802020|-0.00325999|-0.02674630|-0.22264476|-0.00393922|0.00254047|-0.02205260|0.00347666|0.00140151|0.00029679|-0.00024509|-0.00244595|0.00100489|0.00267881|0.02332793|0.02592427|0.00363581|-0.05909323|-0.17100973|-0.02673445|-0.03296468|-0.01209752|-0.01121002|-0.10486452|0.67457662|-0.00006431|-0.00140584|-0.00053168|-0.00813027|0.00028655|0.01125613|0.00291714|0.01075964|0.00263478|-0.00324095|-0.01599686|-0.08631415|0.00311849|0.02904172|0.00013283|0.00161967|0.00112137|-0.00133387|0.00023194|0.00964389|-0.00789920|-0.00944411|-0.01448171|0.03060637|-0.02201395|-0.01828489|-0.09576650|-0.00866789|-0.00566965|0.00547424|0.06688194|0.03604947|0.20007395|-0.02620708|-0.01916222|0.00069508|-0.17368204|-0.07984745|-0.00234729|0.00610763|0.00462259|-0.00082218|0.00490376|0.01709429|0.00013665|0.00025597|-0.00154406|0.00107186|-0.00093738|-0.00062066|-0.00020139|0.00118051|0.00157920|0.00103641|0.00238718|-0.00733231|-0.00238702|-0.03997118|0.01442083|-0.00069409|-0.00133716|0.00046438|0.00011122|-0.51103321|0.20948626|-0.01642718|0.83403094|0.00313339|0.01127251|0.00275851|-0.05317889|-0.16184292|-0.00263743|-0.01923253|-0.05373356|-0.00338820|0.03256401|-0.03377555|0.00082514|-0.00337712|-0.00645406|-0.00088077|-0.00213349|0.00066493|0.00040715|0.00225061|-0.00088889|-0.00068891|-0.01127603|-0.00329359|-0.00254366|-0.00800752|0.02135117|0.00031423|-0.00161982|-0.00048768|-0.00012227|0.18857329|-0.23649105|0.00064023|-0.18229563|0.84821790|0.01716294|0.02051172|0.00343598|-0.00839885|-0.01038857|-0.08974355|0.00661880|0.00925280|0.00276790|0.00284713|-0.00448907|0.00852959|-0.00042056|-0.00033898|-0.00042449|-0.00030639|-0.00007153|0.00016817|0.00034255|0.00010246|0.00048186|-0.00078998|-0.00149864|0.00061386|-0.00574786|0.00301038|0.00451413|-0.00041587|-0.00013500|-0.00133290|-0.01589711|0.00333359|-0.06979123|0.02573562|0.02142019|0.18601598|-0.18759733|-0.14160852|-0.00894301|-0.01965192|-0.02365965|-0.00307576|0.00298771|0.00030411|-0.00094525|-0.00066768|-0.00034336|0.00006566|0.00009106|0.00004665|0.00001969|-0.00006529|-0.00005092|0.00004073|0.00017061|0.00020463|-0.00008364|-0.00062616|-0.00055972|0.00005816|0.00061510|0.00094164|-0.00056155|-0.00010691|0.00000751|0.00001007|-0.00118358|-0.00160614|-0.00017457|-0.00257602|0.00348564|0.00503336|0.20095891|-0.14329439|-0.21520665|-0.00939908|0.00802015|0.00657662|-0.00073869|-0.00055149|0.00143260|0.00040457|0.00001762|0.00032415|-0.00007004|-0.00002883|0.00000651|0.00003672|0.00001999|-0.00002313|-0.00003867|-0.00001753|0.00003115|0.00002469|-0.00002857|-0.00000893|-0.00005684|0.00011896|-0.00005326|0.00022526|-0.00000076|-0.00000983|-0.00004368|0.00057365|0.00027739|0.00024591|0.00103343|-0.00012942|-0.00099374|0.15718031|0.22969862|-0.00979111|-0.01116502|-0.06030515|0.01751946|0.02121483|0.00180149|-0.00181964|0.00029927|0.00031721|0.00011030|0.00031524|-0.00019429|-0.00005805|-0.00007763|-0.00002602|0.00001251|0.00002637|-0.00000935|-0.00006044|-0.00005234|0.00002149|0.00031657|0.00024909|-0.00000832|-0.00011820|-0.00056293|0.00026505|0.00007251|-0.00000371|-0.00006566|0.00138167|0.00107177|0.00052646|0.00308065|-0.00279517|-0.00285090|0.00710360|0.01211065|0.05857156|-0.11785161|0.10800250|-0.03042633|-0.00912243|0.02345727|-0.01269715|-0.00600364|0.00162206|0.00368876|0.00074718|0.00179338|0.00057121|-0.00026045|-0.00013207|0.00015337|0.00006189|-0.00000552|-0.00019303|-0.00015751|0.00003027|0.00011257|0.00017693|-0.00001516|-0.00006949|-0.00010347|-0.00012102|0.00007889|-0.00004908|0.00001477|0.00000059|0.00020187|-0.00000669|-0.00004007|0.00117140|0.00052681|-0.00094217|0.01463884|-0.02210791|0.00722230|0.12307245|0.10992211|-0.26508910|0.05971492|-0.00023760|-0.00474027|0.00368859|0.00280778|0.00079411|-0.00104135|-0.00098460|-0.00044888|-0.00043448|0.00009379|0.00004185|-0.00006151|-0.00006707|0.00001885|0.00011706|0.00010039|-0.00006202|-0.00005536|0.00002879|0.00011994|0.00002650|-0.00009834|-0.00009710|0.00003026|0.00005637|-0.00000765|0.00000126|0.00038062|0.00027532|0.00007107|-0.00050664|0.00002175|-0.00037508|0.01308729|-0.02280588|0.00699496|-0.12230573|0.28635717|-0.03229944|0.06153524|-0.08022816|0.00814322|-0.02198869|0.00843609|0.00516912|0.00002293|-0.00158987|0.00015804|-0.00144314|0.00020517|0.00026689|0.00007635|-0.00021908|0.00004234|-0.00000290|0.00013670|0.00004119|-0.00001586|-0.00005624|-0.00007496|-0.00005297|0.00003919|0.00008958|0.00016616|-0.00006936|0.00000344|-0.00000403|0.00001298|-0.00025610|-0.00034073|-0.00002589|-0.00073264|0.00046387|0.00075575|0.00149177|-0.00210901|-0.00003753|0.03368853|-0.06811587|0.07785638|-0.09287428|-0.00705743|-0.09597110|0.01011492|0.00236954|0.03069898|0.00184194|-0.00151381|-0.00109185|0.00007258|-0.00011929|0.00004519|0.00001623|-0.00002629|-0.00003042|-0.00001820|0.00000424|0.00002370|-0.00000010|-0.00004696|-0.00000101|0.00010334|0.00011723|-0.00000514|-0.00017765|-0.00013990|0.00008799|0.00001142|-0.00001005|0.00000817|0.00007742|0.00035807|-0.00034234|0.00213586|-0.00007640|0.00001650|-0.00790433|-0.00021814|-0.02369142|-0.00579399|-0.00252213|-0.01462052|0.09677781|-0.00706705|-0.06119582|-0.01745871|-0.00213938|-0.00081938|-0.00644891|-0.00128521|0.00019162|-0.00009479|0.00035884|0.00024461|0.00010390|-0.00005754|-0.00002216|-0.00001661|0.00007469|0.00000981|-0.00004475|-0.00009531|-0.00002040|0.00004657|0.00016840|0.00002860|0.00001948|-0.00014475|-0.00008376|-0.00009025|-0.00001324|-0.00000225|0.00004640|0.00027003|0.00009799|0.00004742|-0.00021691|0.00005682|0.00076592|-0.00870660|-0.00087404|-0.02778470|0.01010970|0.00483107|0.03166833|0.00762556|0.05697100|-0.09173927|-0.01921542|-0.31429795|-0.00968363|-0.00018702|-0.02385849|-0.00049694|0.00031970|0.00321431|-0.00018536|0.00004357|0.00029092|0.00010863|-0.00002222|-0.00010242|0.00003758|-0.00000875|0.00004054|-0.00000979|0.00004794|-0.00000190|0.00007926|-0.00002029|0.00008703|-0.00004529|-0.00009589|-0.00023655|0.00006215|0.00000960|-0.00006762|0.00078832|0.00005235|0.00048660|-0.00149674|-0.00023668|0.00096638|-0.00034928|-0.00064874|0.00088650|-0.00213579|0.00010314|-0.00582324|0.10032250|0.02020407|0.34082995|0.01063943|0.00293969|0.03017280|-0.09089527|-0.00492631|-0.08170909|-0.00748307|0.00519045|-0.01810046|0.00109763|-0.00026101|-0.00316879|-0.00117962|0.00062238|0.00058066|0.00005947|0.00021389|-0.00031873|0.00002501|-0.00031483|0.00008702|-0.00075962|-0.00002914|-0.00066659|0.00032887|0.00051207|0.00249032|-0.00015937|0.00010939|-0.00016878|-0.00132063|-0.00278744|-0.00017650|-0.01196174|-0.00197554|-0.02514902|0.00139209|-0.00061770|-0.00125728|0.00111517|-0.00003948|-0.00132528|-0.00449449|0.00123455|0.00473256|0.10337296|-0.00231588|0.00185563|-0.00707167|-0.00875780|-0.06359474|-0.01970493|0.02197389|-0.00836682|0.03623265|-0.00342908|-0.00149314|0.00237723|0.00180949|0.00035026|-0.00064190|-0.00026173|-0.00042728|0.00061524|0.00055018|0.00025840|-0.00014484|-0.00098056|-0.00055601|-0.00080449|0.00047755|0.00105003|0.00232268|-0.00017089|0.00013095|-0.00018098|-0.00161285|-0.00325576|0.00070066|-0.01050050|0.00259209|-0.02597791|0.00050238|0.00025195|0.00051558|-0.00051518|0.00017958|0.00017042|0.00157681|0.00068284|-0.00095673|0.00119474|0.06734027|-0.00873748|-0.00319156|-0.02457663|-0.07705307|-0.01571935|-0.28316071|-0.00592159|0.00807095|-0.00385040|0.00022082|0.00178827|-0.00015459|-0.00042714|-0.00005633|0.00029131|0.00020574|0.00005336|-0.00035104|-0.00019826|0.00008281|0.00018157|0.00014141|-0.00019872|0.00007357|-0.00049649|-0.00003130|-0.00029161|-0.00002027|0.00002109|-0.00006016|0.00113520|-0.00128016|0.00055727|-0.00260250|-0.00243534|0.00173846|-0.00012095|0.00108878|0.00099200|0.00027044|-0.00090251|0.00061835|0.00478465|-0.00104621|-0.00223472|0.09115814|0.01340242|0.30948310|0.00096461|0.00090449|-0.00036940|0.01169132|0.01797454|0.01116374|-0.14254366|-0.12595019|-0.07353837|-0.01110851|-0.03553124|-0.02216587|-0.00103381|-0.00109776|0.00110928|-0.00029631|0.00067053|-0.00014179|0.00034145|0.00011588|0.00017745|-0.00000465|0.00008828|-0.00028128|0.00076113|-0.00198682|0.00067096|-0.00053983|0.00005295|-0.00016746|-0.00760957|-0.00075839|0.00125649|-0.00274531|0.00360938|-0.00084658|-0.00077152|-0.00027536|0.00018085|-0.00061822|-0.00028434|-0.00003487|0.00001377|-0.00007205|-0.00010230|0.00054854|0.00021920|-0.00038427|0.14981620|0.00025704|-0.00108359|0.00079324|-0.01842592|-0.02215058|-0.01909155|-0.12763123|-0.33038844|-0.14444679|0.00251942|0.00038699|-0.00216878|-0.00038373|0.00084138|0.00010173|-0.00007316|-0.00017482|-0.00011990|-0.00001723|-0.00006154|0.00012673|-0.00016081|-0.00003803|-0.00005940|0.00017890|0.00020096|0.00018158|-0.00004763|-0.00002154|0.00000376|0.00009276|-0.00082994|0.00002493|0.00270863|-0.00608379|0.00125468|0.00047513|0.00016213|-0.00034277|0.00048554|0.00007514|-0.00017488|-0.00005936|0.00006874|0.00017194|-0.00044134|0.00294678|0.00084154|0.14029859|0.35578592|-0.00019924|-0.00138601|-0.00030212|0.00439394|0.01795770|0.00100430|-0.10143462|-0.19854397|-0.11591483|0.01162169|0.01335456|0.00061244|-0.00099794|-0.00120445|-0.00001443|-0.00022800|0.00051904|0.00008300|0.00016764|0.00013053|-0.00016384|-0.00017175|-0.00026441|-0.00010979|-0.00005639|0.00101777|0.00036327|0.00024392|0.00004385|0.00006063|0.00341215|0.00130387|0.00039107|-0.00107090|0.00382461|0.00017516|0.00069845|-0.00006605|0.00013504|0.00049333|0.00026924|-0.00002246|-0.00009631|-0.00006407|-0.00000312|0.00120340|-0.00076640|0.00158361|0.08296093|0.16219474|0.11000077|-0.00086988|0.00168854|-0.00087564|0.00081195|-0.00339340|0.00387026|-0.02279780|0.01218638|0.04037201|-0.06728409|0.01200168|0.03761113|0.00155761|-0.00670704|-0.02205105|-0.00031675|-0.00024961|-0.00352684|-0.00004508|0.00015749|0.00029569|0.00041339|-0.00019137|-0.00011298|-0.00096044|0.00007847|0.00028774|0.00002487|-0.00001327|-0.00006368|0.00453336|-0.00023531|-0.00621573|-0.00105195|-0.00071651|0.00031281|0.00024459|-0.00010380|-0.00005007|-0.00061099|0.00032697|0.00020275|0.00017397|-0.00017015|-0.00023874|-0.00013942|0.00027086|-0.00117896|0.00217843|0.00144513|-0.00123536|0.08625499|0.00040670|0.00081131|0.00025044|-0.00007298|-0.00155545|-0.00118686|-0.00404576|0.00571985|0.00529929|0.01436543|-0.09041375|-0.07900061|-0.00019777|0.00860559|0.01943924|-0.00073741|0.00124714|0.00043151|0.00025607|-0.00007360|0.00029598|-0.00071518|-0.00023400|-0.00044940|0.00092567|-0.00102404|0.00037841|-0.00050736|-0.00031708|-0.00007067|0.00944242|-0.01402243|-0.03461503|-0.00284487|-0.00304975|-0.00065381|0.00029260|0.00001498|-0.00010046|-0.00009710|0.00006227|0.00001849|-0.00009930|-0.00005025|0.00009731|0.00017810|0.00009687|0.00013175|0.00077527|0.00132027|0.00065623|-0.01961410|0.09403764|-0.00012478|-0.00040123|0.00029498|0.00166883|0.00110685|-0.00024113|0.01008124|-0.00003637|-0.00285793|0.03551635|-0.07566002|-0.28456928|-0.00023376|-0.00859755|-0.02473776|0.00284139|0.00113089|-0.00103437|-0.00016717|-0.00143635|0.00160487|-0.00052568|0.00016540|-0.00004284|0.00122891|-0.00076014|-0.00040704|-0.00029751|-0.00004901|-0.00001939|-0.00156987|-0.00253239|0.00229003|-0.00111356|-0.00005101|0.00091276|-0.00007699|0.00004970|0.00000636|0.00018288|-0.00011875|-0.00007843|-0.00010420|0.00007105|-0.00002877|0.00071693|-0.00091905|-0.00044181|0.00086618|0.00026137|0.00165760|-0.04552751|0.08409050|0.30965641|-0.00000468|-0.00008376|0.00001176|0.00022794|0.00049448|-0.00004537|0.00217129|-0.00114493|0.00111973|0.00832404|0.02642951|-0.00148877|-0.08059088|-0.07307057|0.00891885|-0.00772984|-0.04032648|0.00127985|-0.00783410|0.00038390|0.00530576|0.00049410|0.00217410|0.00021555|-0.00080831|0.00016316|-0.00018652|0.00024094|0.00002037|0.00011354|-0.00353806|0.00129971|-0.00415054|0.00038999|0.00170141|0.00019088|-0.00004804|-0.00000053|0.00001115|0.00003874|-0.00002319|-0.00001408|0.00000283|0.00002478|-0.00000362|0.00003255|-0.00025821|0.00006890|-0.00019116|0.00003402|-0.00048904|0.00048108|-0.00107230|0.00061597|0.08709542|-0.00001925|0.00014570|0.00004118|0.00018692|-0.00058960|-0.00004856|-0.00039613|0.00244891|-0.00083096|-0.00597519|-0.01609439|-0.00004054|-0.07802286|-0.32422131|0.03151295|0.00362194|0.00149696|-0.00247489|-0.00042391|0.00093995|0.00042661|0.00018606|0.00023916|-0.00003522|0.00020810|0.00052153|-0.00010796|-0.00007331|0.00000340|-0.00001443|0.00291852|0.00031042|0.00329731|-0.00072156|-0.00089335|0.00005768|0.00010743|0.00002370|-0.00001266|-0.00002950|0.00001365|-0.00000072|-0.00002362|-0.00004671|-0.00000156|0.00009743|0.00028248|-0.00002877|0.00077660|-0.00034707|0.00056519|0.00029005|0.00052816|0.00059169|0.08174920|0.34791061|-0.00001719|-0.00006642|-0.00000737|0.00014346|0.00027792|-0.00005959|0.00140136|-0.00162207|0.00064788|0.00854735|0.02382650|-0.00064397|0.00758139|0.02843131|-0.06564011|0.00374821|0.01688001|-0.00277746|0.00378300|-0.00125152|-0.00115173|0.00001619|-0.00068475|0.00066616|-0.00066274|-0.00000690|-0.00015200|0.00010301|0.00003934|0.00001276|-0.00359555|0.00051209|-0.00286993|0.00015542|0.00148817|0.00034359|-0.00001950|-0.00000233|0.00002122|0.00002420|0.00000224|-0.00001448|-0.00000274|-0.00000048|-0.00000291|-0.00003745|-0.00011778|-0.00000486|-0.00044676|0.00005797|-0.00005383|0.00068317|-0.00076879|0.00043255|-0.01071440|-0.03470283|0.06367397|-0.00001796|0.00004559|-0.00007684|0.00006930|0.00007601|0.00011314|0.00155337|-0.00053075|0.00151878|0.00108448|-0.01090480|-0.02483592|-0.05786988|-0.00026302|0.01030361|0.00415787|0.01894796|0.03300710|-0.00368510|0.00194255|-0.00447181|0.00203128|-0.00189233|0.00058854|0.00043806|-0.00062571|0.00014574|0.00024300|0.00001686|-0.00012781|0.00126565|-0.00151904|0.00100779|-0.00021998|0.00003820|0.00020150|0.00000451|0.00000590|0.00000867|0.00000011|0.00000123|0.00003483|-0.00003233|0.00003241|0.00005107|0.00017218|-0.00014799|0.00009963|0.00026278|-0.00002651|0.00009827|-0.00273804|0.00286419|-0.00323141|0.00048028|-0.00425158|-0.01002010|0.05764300|-0.00002673|-0.00007962|-0.00006264|0.00001023|0.00016848|0.00002555|-0.00106543|-0.00002865|-0.00071781|0.00049428|0.00768441|0.01922711|-0.00201392|-0.11674651|-0.11738163|0.00491764|0.00025434|0.00246456|-0.00134979|-0.00125259|-0.00073032|-0.00102606|0.00085239|0.00107568|0.00050176|-0.00016270|-0.00030412|-0.00001092|-0.00007768|-0.00000871|-0.00038919|0.00091449|0.00112959|0.00004635|0.00043109|0.00005143|-0.00003941|-0.00001044|0.00000103|0.00000874|-0.00000568|0.00001358|0.00002902|0.00002611|-0.00000239|-0.00013559|0.00000998|-0.00007300|0.00003009|-0.00008848|0.00000482|0.00265240|-0.00135421|0.00310547|0.00095419|-0.01405417|-0.03239263|-0.00359627|0.12273256|-0.00006786|0.00010942|-0.00008330|0.00010393|-0.00022635|0.00025453|0.00006616|0.00024210|0.00235582|0.00131554|-0.00995971|-0.02334024|0.00540610|-0.11446192|-0.28658838|-0.00006310|-0.00514161|-0.01018211|0.00190185|-0.00165614|0.00121709|-0.00069807|0.00084242|0.00067453|-0.00039461|0.00094977|-0.00052686|-0.00002028|0.00004648|0.00000689|0.00095257|-0.00111152|0.00123083|-0.00051837|0.00026703|0.00043563|0.00002770|0.00000508|0.00000193|-0.00002466|0.00000950|0.00003945|-0.00002896|0.00000934|0.00003761|0.00023502|-0.00004333|-0.00001540|0.00016677|-0.00000677|0.00001982|-0.00311148|0.00278320|-0.00226449|-0.00071075|0.00161575|0.00687584|-0.00536280|0.12494145|0.31115768|0.00002306|0.00007588|0.00000083|-0.00002368|-0.00037800|-0.00008282|-0.00097654|0.00024399|-0.00078618|-0.00026407|-0.00089444|0.00230390|-0.00533351|0.02336766|0.01431668|-0.11675551|0.11268223|0.05050651|0.00363373|-0.02361496|-0.01240984|0.00815240|-0.00513969|0.00793515|-0.00114326|-0.00250188|-0.00034691|0.00068228|0.00021439|-0.00095030|0.00043142|-0.00065861|0.00046399|0.00007100|0.00013386|-0.00000303|0.00001672|-0.00000777|-0.00000838|-0.00003250|0.00002360|0.00000631|0.00000552|-0.00001927|-0.00000754|-0.00004172|0.00013696|-0.00006824|-0.00017099|0.00006231|-0.00004234|-0.00015852|0.00008349|-0.00076343|0.00114966|-0.00051266|-0.00027686|-0.00485462|0.00006272|0.00081890|0.11557280|0.00000809|0.00008809|0.00002812|-0.00002497|-0.00020427|-0.00007427|-0.00015485|0.00011512|0.00008148|0.00035269|-0.00000030|-0.00004499|-0.00458282|0.00447324|0.00138880|0.10595897|-0.27192935|-0.08866962|0.00364786|-0.04245705|-0.00654371|-0.00134087|0.00043614|0.00085971|-0.00233717|-0.00064929|-0.00046307|0.00076227|-0.00006219|0.00003810|0.00005101|-0.00012139|0.00007464|0.00007072|0.00027773|0.00004161|0.00005287|0.00001211|-0.00001587|-0.00001131|-0.00000525|0.00000120|-0.00001267|-0.00001383|0.00000347|0.00005479|0.00008589|0.00000246|0.00004319|0.00001924|-0.00002707|0.00011347|-0.00003300|0.00018552|0.00054210|0.00140485|-0.00002491|-0.00021392|0.00075681|0.00064137|-0.10316732|0.30814124|-0.00000692|-0.00006135|0.00003728|0.00016303|0.00043439|0.00019469|0.00075494|-0.00116005|0.00037184|0.00140028|0.00129937|-0.00332049|0.00704625|-0.01349291|0.00636843|0.05422317|-0.09192701|-0.09272164|-0.01573592|0.01481006|-0.00064879|0.01065406|0.00003063|0.01390970|0.00149525|-0.00241198|0.00007807|0.00006157|0.00053652|-0.00166015|0.00011907|-0.00033950|0.00089532|-0.00010535|-0.00016129|-0.00004024|-0.00000325|0.00001040|0.00000387|0.00003651|-0.00002394|-0.00001870|-0.00000626|0.00000969|-0.00000810|0.00011923|-0.00015736|0.00006313|0.00001936|-0.00004288|0.00003306|0.00006089|-0.00007423|0.00014684|-0.00052891|0.00054487|0.00041919|0.00103522|-0.00040501|-0.00109646|-0.06065227|0.09258473|0.07687963|0.00000599|-0.00001996|-0.00000753|0.00023193|0.00004249|-0.00003025|-0.00004657|-0.00015158|-0.00000114|0.00004420|0.00025186|-0.00008164|-0.00000285|-0.00003682|0.00001847|-0.00014674|0.00016820|0.00006183|0.00076182|-0.00000779|0.00008133|0.00033137|0.00350177|0.00123003|0.00160411|0.00158703|0.00102202|-0.32019059|-0.09064133|-0.06290657|0.00014470|0.00038074|-0.00024486|-0.00002461|0.00012759|-0.00005961|-0.00002628|-0.00001782|0.00000369|0.00000857|0.00000669|0.00000079|0.00001001|0.00001270|-0.00000709|-0.00004497|-0.00004089|-0.00002037|0.00000876|-0.00000931|0.00000267|-0.00000518|-0.00009949|-0.00001330|0.00001291|-0.00002893|0.00001315|-0.00001851|0.00001251|0.00000035|-0.00001704|0.00001425|-0.00007423|0.34249676|-0.00001160|-0.00003754|-0.00003597|-0.00006536|0.00008561|-0.00007657|-0.00015230|-0.00052185|0.00000415|-0.00146619|0.00060265|-0.00040013|-0.00004850|0.00002683|-0.00012154|-0.00043797|0.00038572|0.00015584|0.00115791|0.00015698|0.00035155|-0.00166523|0.00309124|0.00075451|-0.03716917|-0.01261846|-0.00862420|-0.08186981|-0.08597241|-0.01987164|0.00189604|-0.00717818|-0.00171521|0.00099406|-0.00048018|0.00020776|-0.00001925|0.00000363|0.00001105|-0.00002461|0.00001836|0.00000265|0.00000778|-0.00000250|0.00000700|-0.00006116|-0.00005317|-0.00000285|-0.00017352|0.00002360|0.00006946|0.00000523|-0.00017185|-0.00008326|0.00004605|-0.00002991|0.00003218|0.00004338|0.00001794|0.00001268|0.00004661|0.00012325|-0.00010716|0.09360806|0.09257124|-0.00002223|-0.00001696|-0.00004356|0.00010859|-0.00006537|0.00017243|-0.00014599|-0.00028906|-0.00003727|-0.00049336|0.00024494|0.00028973|-0.00002761|-0.00002129|-0.00005115|-0.00013436|0.00015035|0.00008267|0.00040072|0.00014630|-0.00011471|-0.00010913|0.00150668|-0.00010796|-0.01025316|-0.00277115|-0.00335130|-0.06029401|-0.02113303|-0.07475676|0.00098286|-0.00231224|0.00089668|-0.00002073|0.00029881|0.00020546|-0.00000266|0.00000626|0.00001991|-0.00000893|0.00000687|-0.00000062|-0.00000469|-0.00001468|0.00002325|0.00002089|0.00004839|-0.00000244|-0.00006999|-0.00001881|0.00003466|0.00000350|0.00003379|-0.00002951|0.00001737|-0.00001388|0.00001239|0.00003096|0.00000488|0.00000409|0.00002249|0.00003420|-0.00001161|0.06778933|0.02390954|0.07217332|0.00002985|0.00001341|0.00001878|-0.00005927|-0.00001889|-0.00025173|0.00012620|0.00007051|-0.00001305|0.00018887|-0.00002532|0.00007804|-0.00012571|-0.00001097|0.00004477|-0.00030382|0.00013088|0.00008842|0.00068469|0.00098509|-0.00046248|-0.00032251|0.00104196|0.00131969|-0.00140376|0.00169848|-0.00116008|-0.16063200|0.01904547|0.13636898|-0.00089175|-0.00024148|-0.00027253|-0.00010312|-0.00085164|-0.00072870|0.00000966|0.00000876|-0.00000088|-0.00000556|-0.00000327|-0.00000879|-0.00000318|-0.00000945|0.00000860|-0.00003002|-0.00002972|0.00001133|0.00001521|0.00000551|-0.00000254|-0.00000924|-0.00003962|-0.00003553|0.00003135|0.00000173|-0.00002555|0.00003507|-0.00000036|-0.00001474|0.00008613|0.00012218|0.00001109|-0.01626471|0.00485084|0.02831762|0.16963078|-0.00002277|0.00003582|-0.00007385|-0.00015519|-0.00017912|-0.00012659|-0.00013749|0.00014874|0.00004346|0.00017886|-0.00017529|0.00057217|0.00003733|0.00004641|-0.00017029|0.00113911|-0.00052256|-0.00045613|-0.00097178|-0.00275436|0.00358129|0.00239974|-0.00321822|-0.00353077|0.02310915|-0.00083320|-0.02989515|0.01841918|-0.06278534|-0.03018496|0.00065654|-0.00003448|0.00096965|-0.00089879|0.00026607|-0.00020352|0.00002058|0.00000647|0.00001589|0.00000067|-0.00000180|0.00001920|-0.00001671|-0.00000938|0.00003227|0.00000441|0.00003959|0.00000865|-0.00000926|0.00000627|0.00000668|0.00003526|0.00016856|0.00004485|-0.00006019|0.00001170|0.00003105|-0.00005875|-0.00003672|0.00009583|-0.00033594|-0.00023134|-0.00023596|-0.00550081|0.00130255|0.01053540|-0.02320763|0.06502661|-0.00002026|-0.00003000|-0.00003059|-0.00035946|-0.00000818|0.00007924|-0.00014622|0.00017575|0.00002027|-0.00011103|-0.00017842|0.00023702|0.00002454|0.00011858|-0.00013625|0.00046079|-0.00001514|-0.00016395|-0.00033678|-0.00045302|0.00040263|0.00024465|-0.00096776|-0.00050797|0.00428280|0.00100289|-0.00434191|0.13432321|-0.03056900|-0.23842569|0.00049151|-0.00042585|0.00031936|0.00020007|-0.00034298|0.00039913|0.00001089|0.00003222|0.00001433|-0.00003596|0.00000950|-0.00001212|-0.00000219|-0.00002860|0.00003193|0.00004445|0.00005316|0.00003926|-0.00002822|0.00002426|-0.00000008|0.00003150|0.00019285|0.00002132|-0.00005785|0.00001253|-0.00001557|0.00000162|0.00001579|0.00003206|-0.00007408|-0.00008912|0.00002366|-0.00505275|0.00243383|0.01010347|-0.15103106|0.03228799|0.25501885|0.00001428|-0.00000855|0.00002498|-0.00006107|-0.00007910|0.00009626|0.00000020|0.00005010|-0.00001336|0.00008015|-0.00004110|0.00004983|-0.00002750|-0.00002297|0.00008377|-0.00022783|-0.00001154|0.00004895|0.00060489|-0.00005741|0.00080428|-0.00045581|0.00202751|-0.00038261|-0.00115454|0.00133103|0.00064698|-0.09412636|0.05441855|-0.07847720|-0.00073573|0.00020005|-0.00019928|-0.00016844|-0.00068838|0.00005724|0.00000898|0.00001242|-0.00000788|-0.00000701|-0.00000319|-0.00000663|-0.00000198|-0.00000196|-0.00000295|0.00003439|0.00002176|0.00001770|0.00002557|0.00000257|0.00000259|0.00002554|0.00005060|-0.00000660|0.00000067|0.00002068|-0.00000885|0.00000120|-0.00000389|0.00000379|-0.00002411|0.00008263|-0.00011055|-0.00904265|0.02062986|-0.02627728|0.00971957|-0.01436101|0.01750065|0.09640401|-0.00000499|0.00001040|0.00000726|-0.00039747|-0.00013763|-0.00000151|-0.00017190|0.00050903|-0.00004187|0.00019496|-0.00062887|0.00014201|-0.00020334|0.00032737|-0.00040420|0.00053220|0.00075364|-0.00021065|0.00125027|-0.00054242|-0.00357735|-0.00093804|-0.00581406|0.00054885|0.01584980|-0.01684336|0.02948987|0.05340985|-0.14573409|0.11835087|0.00003999|0.00094975|-0.00111598|-0.00007456|-0.00025908|-0.00009804|0.00001556|0.00001230|-0.00000878|-0.00002407|0.00001187|0.00000151|0.00000391|-0.00000928|-0.00001299|-0.00002435|0.00002357|-0.00000539|0.00001341|0.00004387|-0.00000055|0.00003595|0.00008591|-0.00000893|-0.00011255|-0.00001070|-0.00003133|-0.00000628|0.00002331|0.00000127|0.00006698|-0.00024857|0.00038794|-0.00288251|0.00822686|-0.01037856|-0.00306358|0.00376270|-0.00364892|-0.06272657|0.15537093|-0.00002428|0.00001709|-0.00005801|0.00032319|-0.00021583|0.00022709|-0.00006784|-0.00005667|0.00000766|0.00024681|-0.00008932|0.00002135|-0.00008287|-0.00005777|-0.00016233|-0.00005073|0.00027613|0.00000042|0.00083676|0.00008510|-0.00162425|-0.00026406|-0.00150428|0.00071011|0.00531466|-0.00712479|0.01184357|-0.07750711|0.11770348|-0.21734417|-0.00040028|0.00095745|-0.00021067|-0.00108865|0.00046203|0.00017379|-0.00000010|-0.00000747|0.00001700|0.00002698|-0.00000960|0.00001233|-0.00001064|-0.00000039|0.00001859|0.00004025|0.00005553|-0.00000459|0.00005873|-0.00003426|0.00001178|0.00001361|-0.00003591|0.00001000|0.00000432|-0.00000374|0.00001914|0.00000096|-0.00000136|0.00001209|0.00006270|-0.00001955|0.00012692|-0.00185619|0.00294762|-0.00513499|-0.01188121|0.01677305|-0.02252172|0.08617238|-0.12956308|0.23404320|0.00184333|0.00039939|-0.00014342|0.01234240|-0.02066623|0.00024295|-0.00372466|-0.00531085|-0.00082043|-0.00685329|0.00056772|-0.00095510|0.00069346|0.00150068|0.00008851|0.00050596|-0.00008036|-0.00004600|-0.00014472|-0.00012275|0.00003466|0.00019044|-0.00030309|-0.00015251|0.00173740|0.00024772|0.00073454|-0.00101505|-0.00006092|-0.00059224|0.00461047|0.03265303|0.00230764|-0.08061501|0.04928534|0.00118644|0.00008630|0.00027942|-0.00016058|-0.00061666|0.00023998|0.00003452|-0.00005708|0.00008720|0.00031366|-0.00030836|0.00028745|-0.00088435|0.00100577|-0.00128933|0.00072546|0.00028760|0.00050269|0.00007264|-0.00042872|0.00031383|-0.00037224|-0.00000573|-0.00006238|0.00001701|-0.00002864|-0.00003117|0.00002374|0.00016955|-0.00012114|0.00016979|-0.00040272|-0.00026451|-0.00036080|-0.00088643|-0.00078266|0.00013265|0.07161439|0.00080132|0.00025049|-0.00012487|0.00919555|-0.00954651|-0.00012506|-0.00152139|-0.00189832|-0.00101713|0.00070278|-0.00013609|-0.00023811|-0.00004669|-0.00046619|-0.00016685|-0.00024877|0.00002357|0.00017017|0.00019712|0.00007993|-0.00007907|0.00012415|0.00024395|0.00006375|-0.00034638|-0.00072219|0.00010608|-0.00120746|-0.00062746|-0.00052243|-0.00202175|-0.00698207|-0.00081885|0.05404540|-0.37728918|-0.01478631|-0.00013075|0.00028726|0.00009634|-0.00065582|0.00044270|0.00008888|-0.00015009|-0.00005946|0.00031633|-0.00073800|-0.00043024|-0.00052058|0.00056653|-0.00061347|0.00040468|0.00010667|-0.00039912|-0.00014922|0.00013571|0.00000603|0.00009397|0.00002266|0.00002552|0.00003465|0.00002987|0.00002211|-0.00004795|-0.00027664|0.00042958|0.00010863|-0.00047289|-0.00003967|0.00039766|-0.00084208|0.00011658|-0.00055347|-0.05726905|0.39728226|-0.00050848|-0.00017799|0.00035972|0.00199436|-0.00222714|0.00365497|-0.00071535|-0.00010868|0.00091562|-0.00054016|0.00079853|0.01266354|-0.00006761|-0.00241876|0.00013338|-0.00042066|-0.00013500|0.00004213|0.00015905|0.00065512|-0.00022079|0.00027081|-0.00100379|0.00131243|0.00138511|0.00082652|-0.00683201|-0.00055928|-0.00052802|0.00121046|0.00031830|-0.00036376|0.00697121|-0.00059439|-0.01688628|-0.04845028|-0.00020356|-0.00006590|-0.00010422|0.00002302|0.00009336|0.00008377|0.00002213|0.00010098|-0.00024783|0.00047632|0.00099340|-0.00047267|-0.00005356|0.00046831|0.00041830|0.00044297|0.00285679|-0.00028098|0.00051623|-0.00034903|0.00026911|-0.00012074|0.00001870|-0.00025864|0.00003478|0.00000676|-0.00002546|0.00013187|0.00013870|-0.00037616|-0.00037843|-0.00014020|-0.00058667|-0.00001619|0.00017858|-0.00019432|-0.00159655|0.01726876|0.03001541| 163.11095 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 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 75.0058 123.8543 167.3671 209.7279 243.8797 277.3929 285.0914 315.5023 360.0284 404.6632 412.6986 466.1094 510.2701 571.9092 610.6188 648.7985 676.3478 756.8120 826.7675 846.9254 921.6529 973.3518 986.0491 994.6994 1012.5951 1035.5072 1051.0328 1111.5497 1136.0830 1140.8974 1162.8827 1182.4135 1205.9366 1221.3188 1241.1128 1264.0444 1300.1565 1371.3930 1401.6791 1437.7555 1482.5259 1508.2883 1512.3262 1533.9124 1556.0446 1561.1438 1564.4556 1598.4082 1628.0761 1632.0189 1634.4128 1638.6988 1640.4393 1832.3870 1882.8308 1911.5622 3116.2665 3132.6130 3203.4226 3209.5311 3230.7201 3262.9833 3263.0196 3274.8661 3286.0426 3331.7555 3331.8765 3406.2685 3782.3114 3.3576 3.1065 2.7880 1.1884 1.3930 2.9455 1.9277 2.5927 3.1406 4.0882 3.9174 3.6052 3.0812 3.6205 3.0096 3.1307 2.7477 3.3696 3.6838 2.6528 2.3910 2.2775 1.4472 2.1116 1.8457 2.5476 1.8200 2.3625 2.1107 2.4737 1.5870 2.3070 1.8084 2.2303 1.9524 2.0350 1.2890 1.8300 1.3585 1.4935 2.3901 1.3089 1.7390 1.3467 1.3676 1.3624 1.3622 1.4397 1.0558 1.0486 1.0994 1.0942 1.0530 8.3238 9.3560 9.8937 1.0827 1.0836 1.0372 1.0411 1.0610 1.1016 1.1016 1.1064 1.1037 1.0942 1.0973 1.0961 1.0760 0.0111 0.0281 0.0460 0.0308 0.0488 0.1335 0.0923 0.1521 0.2398 0.3944 0.3931 0.4615 0.4727 0.6977 0.6611 0.7764 0.7406 1.1371 1.4836 1.1211 1.1967 1.2713 0.8290 1.2310 1.1150 1.6095 1.1845 1.7198 1.6051 1.8971 1.2644 1.9003 1.5495 1.9601 1.7719 1.9157 1.2838 2.0278 1.5725 1.8190 3.0951 1.7544 2.3434 1.8669 1.9510 1.9563 1.9643 2.1671 1.6488 1.6456 1.7303 1.7312 1.6696 16.4668 19.5418 21.3003 6.1951 6.2652 6.2710 6.3186 6.5250 6.9103 6.9105 6.9913 7.0216 7.1561 7.1775 7.4932 9.0696 1.1687 0.2822 5.0128 1.1107 0.3603 3.4099 1.5301 1.3810 1.8244 0.7574 0.3981 7.1318 4.1087 6.6294 1.9784 4.6665 40.1544 4.7222 8.7220 23.6108 15.6322 10.5696 19.3753 24.5728 4.3613 16.7920 2.8485 7.7448 4.5529 3.2799 0.3967 11.0484 23.1994 4.7967 2.4607 10.0058 8.6168 19.9649 0.9492 2.0235 20.3218 23.4678 19.3063 16.7581 29.1978 9.9295 4.6572 24.4818 4.9986 6.3259 4.9397 6.5537 3.2934 17.9910 67.0141 19.6182 82.1964 59.6836 42.4646 24.7788 22.4926 44.0485 18.9717 16.7931 39.3244 33.6826 28.5856 6.6362 1.9106 0.1428 0.5628 0.7777 0.3685 0.1617 1.3423 0.4895 3.2673 2.5151 5.6150 1.8636 5.5753 1.8227 2.1803 6.0583 1.9302 3.5636 7.9888 0.6847 2.7776 6.3712 2.7113 9.6790 1.5403 2.4192 1.6801 3.7301 4.2131 2.9241 2.2921 4.7790 8.1505 18.2111 3.0144 5.8572 7.7500 3.4027 25.5245 2.5152 5.2470 11.8389 5.5925 7.8899 9.8083 1.9434 5.9626 1.0029 3.9073 17.8951 18.1384 8.3507 18.2217 13.5698 14.3270 298.3659 137.0772 146.2086 85.8845 122.2363 109.3175 75.0591 97.2500 52.7245 52.6710 54.6755 154.9275 110.4162 65.2532 90.0301 0.5850 0.5157 0.4765 0.7322 0.4123 0.6909 0.7047 0.5133 0.4836 0.6144 0.6875 0.2671 0.4027 0.6042 0.2762 0.1365 0.4459 0.7437 0.2745 0.2310 0.0906 0.6514 0.5884 0.4976 0.5372 0.5335 0.4502 0.6499 0.6915 0.7011 0.5458 0.2637 0.2901 0.7389 0.4424 0.7478 0.7444 0.3269 0.7073 0.5129 0.3810 0.4745 0.7375 0.5381 0.6467 0.7488 0.2997 0.7432 0.7033 0.7468 0.7421 0.6806 0.7450 0.3946 0.3329 0.1539 0.3378 0.3269 0.0232 0.0343 0.1405 0.7211 0.7397 0.7213 0.7307 0.5003 0.2037 0.3377 0.3105 0.7381 0.6805 0.6454 0.8454 0.5839 0.8172 0.8267 0.6784 0.6520 0.7611 0.8148 0.4216 0.5742 0.7533 0.4328 0.2401 0.6168 0.8530 0.4307 0.3754 0.1662 0.7889 0.7409 0.6646 0.6989 0.6958 0.6209 0.7878 0.8176 0.8243 0.7062 0.4173 0.4497 0.8498 0.6134 0.8557 0.8535 0.4927 0.8285 0.6780 0.5517 0.6436 0.8490 0.6997 0.7854 0.8564 0.4612 0.8527 0.8258 0.8550 0.8520 0.8100 0.8539 0.5659 0.4995 0.2668 0.5050 0.4927 0.0453 0.0663 0.2464 0.8380 0.8504 0.8381 0.8444 0.6670 0.3385 0.5048 0.4739 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 6 6 7 6 6 6 7 7 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1114.69889 2316.94749 3221.64108 0.99999 0.00341 0.00013 -0.00342 0.99997 0.00764 -0.00010 -0.00764 0.99997 1 0.07770 0.03738 0.02689 1.61904 0.77893 0.56019 107.92 178.20 240.80 301.75 350.89 399.11 410.18 453.94 518.00 582.22 593.78 670.63 734.16 822.85 878.54 933.48 973.11 1088.88 1189.53 1218.54 1326.05 1400.44 1418.70 1431.15 1456.90 1489.86 1512.20 1599.27 1634.57 1641.50 1673.13 1701.23 1735.07 1757.21 1785.68 1818.68 1870.64 1973.13 2016.70 2068.61 2133.02 2170.09 2175.90 2206.96 2238.80 2246.14 2250.90 2299.75 2342.44 2348.11 2351.56 2357.72 2360.23 2636.40 2708.97 2750.31 4483.61 4507.13 4609.01 4617.80 4648.29 4694.71 4694.76 4711.80 4727.88 4793.65 4793.83 4900.86 5441.90 0.229847 0.239844 0.240788 0.194562 -511.409937 -511.399940 -511.398996 -511.445222 1.550428D-04 MUNgauss RevisionA2.1 retrievium 02-Jan-2023 GDB_13 Smiles: CC1NC2CC=NN=C(C)C2=C1 RHF 6-31G(d) (6D,10F) C1 163.110948 |X|Y|Z| 35.984823 25.477424 11.332116 21.820363 10 6 7 7 3 |36.858105| |12.492924|36.858105| |7.697754|13.013265|53.358707| |5.201233|8.034775|17.818196|36.858105| |4.036280|5.159038|10.317809|12.435894|36.858105| |3.189024|3.997764|6.899445|7.855022|12.656887|36.858105| |2.984051|3.717001|5.866965|6.372251|7.678447|15.169364|53.358707| |3.210872|3.969617|5.861354|6.082144|6.469391|8.214574|18.807328|53.358707| |3.928874|5.048478|7.004288|7.197208|6.383897|6.490926|11.013906|20.507103|36.858105| |3.661000|4.308613|5.478613|4.807783|4.363845|4.341409|7.050632|11.051463|12.603262|36.858105| |5.346107|8.139749|11.211184|12.581653|7.594007|6.277885|8.651067|10.485984|12.852796|7.481425|36.858105| |7.492833|12.644340|11.281968|8.229103|5.377776|4.423070|6.007183|7.053748|7.619266|6.458313|14.395981|36.858105| |17.550752|8.824336|9.438936|4.604890|3.714142|2.948044|3.689297|3.847387|3.322783|3.061902|4.361002|5.486663|0.500000| |17.533865|8.790590|7.588337|4.268476|3.389442|2.812403|3.684206|4.023384|3.619218|3.554107|4.667827|6.683369|0.301410|0.500000| |17.575307|8.840390|9.539460|5.032791|4.190022|3.246858|4.124747|4.505132|4.037389|3.822662|5.265547|6.873318|0.301269|0.299481|0.500000| |8.901267|17.413951|12.182562|6.561931|4.361895|3.608383|4.629601|4.826996|4.355541|3.785665|6.457316|8.924910|0.212500|0.214534|0.173821|0.500000| |6.506986|9.234829|25.927324|9.272403|6.405550|4.578960|5.224150|5.006822|4.174648|3.358993|5.995277|6.026101|0.186280|0.136716|0.158685|0.227875|0.500000| |4.394738|6.577257|12.256159|17.443199|8.914067|7.614225|8.591075|7.525738|6.076618|4.221391|8.886380|6.534351|0.112409|0.104593|0.113661|0.173922|0.229298|0.500000| |3.786389|4.620237|9.502975|8.784844|17.575464|8.934718|7.808658|6.511223|4.689450|3.505683|5.534866|4.412521|0.101333|0.087806|0.108451|0.111803|0.185072|0.206000|0.500000| |4.121964|4.937942|9.133081|8.832854|17.555575|8.790055|9.029040|8.790851|6.544880|4.696621|7.187939|5.338038|0.103367|0.096142|0.125753|0.111966|0.151642|0.174589|0.301856|0.500000| |2.814641|3.442159|5.883002|6.017905|8.582492|17.658647|13.201463|7.967672|4.801250|3.512597|4.760803|3.637102|0.074099|0.069511|0.078788|0.089032|0.115035|0.177793|0.222851|0.176873|0.500000| |3.048113|3.485552|4.583882|4.011780|3.885731|4.080474|6.876745|10.784237|8.962105|17.642922|5.525203|4.751642|0.072880|0.082437|0.088731|0.087078|0.080391|0.100882|0.088517|0.116373|0.093683|0.500000| |4.007806|4.456289|5.558460|4.565418|4.199299|3.919129|5.950709|8.441611|8.837564|17.556774|6.786568|6.551237|0.091317|0.108476|0.121280|0.105167|0.093593|0.107587|0.095437|0.131728|0.089172|0.299508|0.500000| |3.631287|4.290030|5.165097|4.384089|3.779188|3.770046|6.019239|8.437522|8.857181|17.537999|6.684353|6.480510|0.084219|0.101419|0.101603|0.108986|0.089532|0.111606|0.086856|0.108482|0.087508|0.300617|0.301822|0.500000| |6.655879|8.404373|7.823886|5.665873|4.229122|3.685140|5.195068|6.297654|6.667812|6.967089|8.887788|17.745999|0.135734|0.190278|0.173638|0.193801|0.127270|0.135069|0.099221|0.120231|0.086123|0.139068|0.205924|0.214834|0.500000| 511.165968 -2612.149348 951.387743 -71.294691 -1220.890328 709.250541 -511.639787 2.000927 4044000000000001 41A0A01D23FFFFFF 41382EB605D1745C 40C5910000000000 3BE1B578C0000000 419105F3F4000000