Version2.5 2023-01-07T06:02:32Z 10.1021/ja902302h Gaussian16 RevisionB.01 RPOIRIER 29-Dec-2022 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) GDB_13 Smiles: CC1=NC=NC2=C1C1(N)CC2C1 RHF 6-31G(d) (6D,7F) CC1=NC=NC2=C1C1(N)CC2C1 C1[X(C9H11N3)] 63 C1 202 CC1=NC=NC2=C1C1(N)CC2C1 Cc1ncnc2c1C1(N)CC2C1 Cc1ncnc2C3CC(N)(C3)c12 InChIKey=KYOBFVJEXLHYEF-UHFFFAOYSA-N InChI=1S/C9H11N3/c1-5-7-8(12-4-11-5)6-2-9(7,10)3-6/h4,6H,2-3,10H2,1H3 InChI=1/C9H11N3/c1-5-7-8(12-4-11-5)6-2-9(7,10)3-6/h4,6H,2-3,10H2,1H3 CC1=NC=NC2=C1C1(N)CC2C1 C01[X(C9H11N3)] 63 C1 202 CC1=NC=NC2=C1C1(N)CC2C1 C[C@H]1NCN[C@H]2[C@@H]1[C@]1(N)C[C@H]2C1 C[C@H]1NCN[C@@H]2C3CC(N)(C3)[C@H]12 InChIKey=SCGRXMZNCWHAEE-JGKVKWKGSA-N InChI=1S/C9H17N3/c1-5-7-8(12-4-11-5)6-2-9(7,10)3-6/h5-8,11-12H,2-4,10H2,1H3/t5-,6-,7-,8-,9-/m1/s1 InChI=1/C9H17N3/c1-5-7-8(12-4-11-5)6-2-9(7,10)3-6/h5-8,11-12H,2-4,10H2,1H3/t5-,6-,7-,8-,9-/m1/s1 5.100953838325D+02 -2.603752179611D+03 706.2746203802 -510.5118694 1-A 1745.8756 43 159 202 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -15.56048 -15.55654 -15.55447 -11.29743 -11.28956 -11.28710 -11.28573 -11.24848 -11.23848 -11.23847 -11.23046 -11.22847 -1.31445 -1.23882 -1.19544 -1.15584 -1.05711 -0.97914 -0.92470 -0.91875 -0.86515 -0.82023 -0.75690 -0.72330 -0.67880 -0.67299 -0.65092 -0.64071 -0.60905 -0.58519 -0.57679 -0.55685 -0.55033 -0.53544 -0.51149 -0.48945 -0.48679 -0.47072 -0.46115 -0.39519 -0.39399 -0.38710 -0.33965 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.12599 0.14072 0.20623 0.25679 0.27521 0.27922 0.28727 0.29517 0.29977 0.30920 0.31182 0.32580 0.34715 0.35122 0.36425 0.37081 0.37730 0.38927 0.42663 0.44529 0.45559 0.47052 0.48638 0.51034 0.57613 0.59413 0.65077 0.65543 0.71249 0.71888 0.74670 0.76193 0.76458 0.77151 0.78519 0.81157 0.83193 0.85498 0.85952 0.87011 0.88127 0.89766 0.92663 0.93933 0.94054 0.94631 0.97335 0.98440 1.00369 1.04283 1.06346 1.07215 1.07400 1.08527 1.09804 1.10420 1.11796 1.12158 1.13119 1.15882 1.15998 1.17426 1.19088 1.19909 1.21254 1.21532 1.22941 1.23253 1.24520 1.27798 1.28399 1.29927 1.35295 1.37281 1.43283 1.47110 1.48255 1.55394 1.57939 1.61109 1.63130 1.64386 1.66255 1.71458 1.75102 1.76192 1.79090 1.79216 1.80715 1.85257 1.91412 1.92109 1.93878 1.95502 1.97781 2.01214 2.04484 2.08192 2.11516 2.14242 2.15640 2.20399 2.24574 2.25278 2.27975 2.29875 2.29931 2.33852 2.36611 2.38709 2.43346 2.50391 2.51550 2.52217 2.53442 2.55675 2.57909 2.58207 2.59884 2.59961 2.63974 2.65437 2.69191 2.71602 2.74287 2.74690 2.78441 2.78880 2.82372 2.86727 2.87032 2.90331 2.92982 2.96117 2.97889 3.00459 3.03596 3.10950 3.11414 3.15851 3.19422 3.23402 3.28879 3.38881 3.41528 3.63824 3.84178 4.30681 4.49191 4.54498 4.62102 4.68598 4.77249 4.77697 4.87723 4.88208 4.96290 5.24660 5.29125 12.67061 1.7324 1.8868 0.0003 2.5615 |XX|YY|ZZ|XY|XZ|YZ| -77.7919 -69.7348 -68.7867 -3.3450 0.0011 0.0008 |XX|YY|ZZ|XY|XZ|YZ| -5.6874 2.3697 3.3178 -3.3450 0.0011 0.0008 |XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| 0.5341 33.0840 0.0016 2.0491 -20.7103 0.0024 3.8636 6.1292 0.0005 0.0015 |XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY| -1356.7545 -868.6366 -191.3712 4.9108 0.0126 -13.7456 0.0008 -0.0006 0.0045 -351.3331 -241.7433 -169.6464 0.0034 0.0046 5.8781 0 |0.67315586|-0.02681043|0.57786183|-0.00011652|-0.00001850|0.62108760|-0.10680195|-0.01667266|-0.00001538|0.73819525|-0.02098356|-0.25719673|-0.00027439|0.06879780|0.79628255|-0.00002198|-0.00027143|-0.09390082|-0.00051713|0.00091669|0.23613873|0.00118542|0.00951286|0.00001666|-0.27753060|0.10110948|0.00042445|0.50170833|0.04578955|-0.03030677|-0.00011980|0.03240977|-0.19095467|-0.00022791|-0.08710817|0.76217421|0.00008116|-0.00006918|0.00106088|0.00029612|-0.00031726|-0.08726379|-0.00064895|0.00129180|0.11352683|-0.00766766|0.00241649|0.00002722|0.05448731|0.04558141|0.00001648|-0.17370690|0.04354387|0.00018282|0.85558035|0.00283853|0.00521622|-0.00001049|0.14897308|-0.05555737|-0.00029999|-0.02856416|-0.45365756|-0.00061680|-0.09871680|0.84725989|0.00002345|-0.00000991|0.00853752|0.00021031|-0.00016599|0.00428153|0.00004955|-0.00070981|-0.09325489|-0.00097691|0.00126124|0.22652661|0.00371413|-0.00275639|-0.00001828|-0.13829359|0.01528429|0.00018990|0.06210058|-0.16197204|-0.00031719|-0.26461414|-0.03975828|0.00013959|0.73654910|-0.00113700|-0.00151106|0.00000819|-0.01659415|0.00938541|0.00006039|-0.03271771|-0.05670204|-0.00014984|-0.11497451|-0.22758745|-0.00010181|-0.05665886|0.53412100|-0.00001201|0.00000822|-0.00403970|0.00012844|0.00002123|-0.01252616|-0.00007914|0.00001517|0.04693049|0.00000102|-0.00019776|-0.09439870|-0.00091320|0.00087311|0.10364374|-0.00694869|0.00005178|0.00002665|0.06968359|-0.04842017|-0.00016668|-0.02383606|0.07352709|0.00014759|-0.12445080|-0.05016389|0.00007067|-0.39838025|0.17240934|0.00073195|0.92039871|0.00203416|-0.00069327|-0.00003471|-0.12833219|-0.01943575|0.00011530|0.05126354|-0.11041845|-0.00024298|0.04442736|0.12590414|0.00017048|0.11956100|-0.26960067|-0.00051162|-0.12428990|0.71897263|0.00003217|-0.00002624|0.01346116|-0.00031479|0.00001279|0.00786791|0.00010843|-0.00027273|-0.01336801|0.00024232|0.00029023|0.00320287|0.00063392|-0.00057588|-0.07859297|-0.00109188|0.00103290|0.24688816|0.00640204|-0.00182751|0.00000723|-0.35266333|-0.15682645|0.00007558|-0.08771699|0.03806133|0.00020648|-0.02250058|-0.04896242|-0.00007569|0.04081409|0.04698242|0.00007719|-0.14659481|0.05968599|0.00016668|0.82684153|-0.03358295|-0.00975825|0.00000908|-0.07222572|-0.25162463|-0.00022993|-0.04354155|0.11056444|0.00022356|-0.05073776|-0.10620129|-0.00011113|0.13093547|-0.01232359|-0.00024734|-0.03826001|-0.28916409|-0.00029658|0.12942107|0.71626572|-0.00005116|-0.00003625|0.01181657|0.00023138|-0.00012026|-0.07312657|0.00005510|0.00011885|0.01913620|-0.00007791|-0.00011137|-0.01117444|0.00023019|-0.00014363|0.03248702|-0.00001308|-0.00041870|-0.10139092|-0.00058627|0.00079594|0.18693773|0.00163764|-0.00067355|-0.00000901|-0.00912823|-0.00157355|0.00000572|0.00482594|-0.00145603|0.00000626|-0.00163064|0.00078784|0.00000398|0.00323732|-0.00559280|-0.00000579|-0.01459418|0.03371159|0.00008467|-0.18221569|0.01705038|0.00016039|0.51730688|-0.00160023|0.00249560|0.00001637|-0.01105122|0.01950321|0.00005304|-0.00859749|0.00195982|-0.00000652|-0.00472184|-0.00530712|-0.00000445|0.00352584|-0.00957858|-0.00003483|0.04476683|-0.01231685|-0.00008595|-0.00888235|-0.11490369|-0.00005213|-0.09273579|0.73031846|-0.00001016|0.00001223|-0.00361092|-0.00001132|0.00004202|-0.00265956|-0.00000691|-0.00001538|0.01169583|-0.00000604|-0.00001126|0.00040049|0.00001070|-0.00002310|0.00679791|0.00010502|-0.00007283|0.00383701|0.00011167|-0.00008722|-0.07948563|-0.00021893|0.00060736|0.46748914|0.00096233|-0.00232211|-0.00000884|0.00293398|-0.00095914|-0.00000528|-0.00118993|0.00096585|0.00000263|0.00085781|-0.00068973|-0.00000260|-0.00019961|0.00527352|0.00000991|-0.01246243|-0.00361057|0.00000995|-0.00456244|0.04269137|0.00008789|-0.12493985|0.05989992|0.00009010|0.22734504|0.00179201|-0.00137982|-0.00000745|-0.00103699|-0.00378217|-0.00000502|0.00181728|0.00081859|-0.00000025|-0.00032589|0.00070425|0.00000184|0.00020822|-0.00025409|0.00000000|-0.00039791|-0.00091959|-0.00000344|0.00897664|-0.00367733|-0.00002494|0.11609099|-0.25656449|-0.00038300|-0.00518814|0.69028437|0.00000105|0.00000165|-0.00030013|-0.00000567|-0.00000559|-0.00002210|0.00000454|0.00000069|-0.00030022|-0.00000190|0.00000232|-0.00009776|0.00000033|-0.00000672|-0.00034537|0.00001689|0.00000121|0.00120512|0.00002709|-0.00006717|0.00327573|0.00018758|-0.00029654|-0.13397878|0.00081346|-0.00016603|0.79456871|-0.00012861|0.00046859|-0.00073731|0.00414019|0.00483006|-0.00242452|-0.00477081|0.00454784|0.00265976|-0.00381010|-0.00506177|0.00298397|0.00219936|-0.00294322|-0.00120824|-0.03362708|0.02018894|-0.03798718|-0.03160849|-0.02487844|-0.03218788|-0.09279953|-0.01621481|-0.01944289|0.00485572|0.01084568|0.01845275|0.70986353|0.00017429|-0.00013028|0.00012509|0.00347065|-0.00005699|-0.00096838|-0.00191705|-0.00033798|0.00008159|0.00199278|0.00014674|0.00054607|-0.00502440|0.00039752|0.00111674|0.01492765|0.00521566|-0.00061818|-0.01645881|-0.00398237|-0.00727851|-0.01418953|-0.10836466|-0.05591134|-0.00385182|-0.01845452|-0.02079242|0.02855792|0.36734389|-0.00008754|-0.00000810|0.00003457|0.00220057|-0.00006690|-0.00085582|0.00006596|0.00142627|0.00016058|-0.00084911|-0.00147329|-0.00006166|0.00425597|-0.00005561|-0.00162291|-0.00954401|-0.00185005|-0.00196784|-0.00595882|0.00131201|-0.00032338|-0.01458475|-0.04669266|-0.12272918|0.00184366|0.00357112|0.00760516|-0.03405861|-0.00181236|0.69024324|0.00041494|0.00024800|-0.00000203|0.00206549|0.00088541|0.00000638|-0.00146976|-0.00061951|-0.00000333|0.00242153|0.00333741|0.00002139|-0.02458531|-0.00316465|0.00002410|-0.19913638|-0.05971061|0.00003806|-0.00981414|-0.02188076|-0.00001370|0.00618458|0.00608791|0.00000270|-0.00000793|-0.00109294|-0.00000705|-0.09794700|0.01240087|-0.02443138|0.50260810|-0.00153707|-0.00045669|0.00000338|-0.00179415|-0.01080454|-0.00002796|0.00480231|-0.00086361|-0.00000172|0.00410690|0.00019099|-0.00003186|0.02096722|0.02024613|0.00001267|-0.04572530|-0.14092393|-0.00005372|-0.03873035|-0.02120637|-0.00001198|0.02224189|-0.10563649|-0.00022192|-0.00369457|-0.00921043|-0.00000524|0.01069154|-0.11076191|0.03949610|0.07826734|0.83366555|-0.00000544|0.00000173|-0.00147743|0.00000071|-0.00003207|0.00582978|0.00000674|0.00000479|-0.00329758|0.00002319|-0.00003045|0.01439269|0.00006970|0.00004270|-0.00055199|0.00006157|-0.00003666|-0.08068372|-0.00004421|-0.00003127|0.01157257|0.00003282|-0.00020185|-0.00046664|-0.00001264|-0.00000849|-0.00383332|-0.02804928|0.05338304|-0.11202144|-0.00001545|0.00075185|0.37209810|-0.00012623|0.00046556|0.00074055|0.00414083|0.00482182|0.00242879|-0.00477810|0.00455398|-0.00263055|-0.00381575|-0.00504722|-0.00299310|0.00219132|-0.00294748|0.00118722|-0.03350885|0.02005455|0.03814506|-0.03151424|-0.02500192|0.03217809|-0.09271140|-0.01616375|0.01930525|0.00480267|0.01090403|-0.01840650|0.01473902|0.00159986|-0.01913649|-0.09781236|0.01048452|0.02805126|0.71007179|0.00017364|-0.00012996|-0.00012672|0.00348098|-0.00006038|0.00096294|-0.00191697|-0.00033277|-0.00007859|0.00198844|0.00014365|-0.00055007|-0.00501196|0.00040155|-0.00109725|0.01489662|0.00520621|0.00060621|-0.01646469|-0.00400526|0.00730889|-0.01409804|-0.10873222|0.05599264|-0.00378630|-0.01851601|0.02070508|0.00152548|0.00253263|-0.00151278|0.01217122|-0.11041482|-0.05340568|0.02843310|0.36731619|0.00008834|0.00000634|0.00003159|-0.00220065|0.00005711|-0.00085295|-0.00006020|-0.00143992|0.00016209|0.00086624|0.00148720|-0.00005265|-0.00428461|0.00007086|-0.00161919|0.00968376|0.00182432|-0.00208214|0.00598051|-0.00125980|-0.00040023|0.01445435|0.04677497|-0.12243138|-0.00185119|-0.00369209|0.00772071|0.01884112|0.00189536|-0.10230432|0.02443898|-0.03951524|-0.11249920|0.03410894|0.00054966|0.69006496|-0.13288650|-0.04127050|0.12207738|-0.00269994|-0.00310117|0.00170766|-0.00016584|0.00216847|0.00004748|-0.00015309|-0.00136566|-0.00045736|0.00070619|0.00044292|0.00011358|-0.00062168|0.00021643|-0.00045048|0.00079454|-0.00104445|-0.00020641|0.00005292|0.00057874|0.00014924|-0.00076992|-0.00051967|0.00010116|0.00005478|-0.00003799|0.00011359|0.00001103|-0.00011634|0.00011565|-0.00004679|-0.00006976|-0.00002673|0.13840912|-0.04011620|-0.08196771|0.06967999|-0.02267022|-0.01259843|0.03440337|-0.00014196|0.00316469|-0.00148155|-0.00127502|-0.00082649|-0.00137612|0.00172513|-0.00056765|0.00084620|-0.00152000|0.00139220|-0.00247767|0.00176017|-0.00516559|-0.00108411|0.00058415|-0.00068392|0.00049915|0.00006038|0.00045508|-0.00002435|-0.00022445|0.00012759|0.00009436|0.00015491|-0.00028838|0.00018301|-0.00027338|0.00020515|-0.00005430|0.04802938|0.08720083|0.12112086|0.06989816|-0.24642424|-0.00150897|-0.00164258|0.00343893|-0.00024078|-0.00060305|0.00093838|0.00008391|0.00084010|0.00011633|-0.00071616|-0.00011938|-0.00001030|0.00032693|-0.00063130|-0.00040530|-0.00042949|0.00016874|-0.00032071|-0.00007174|0.00002636|0.00018538|0.00009195|0.00000064|0.00002324|0.00007957|-0.00002515|-0.00001450|-0.00001226|0.00000859|0.00005050|-0.00003509|-0.00002405|-0.00002336|-0.13390927|-0.07469792|0.26420051|-0.29645487|0.11929760|0.00065951|0.00674480|-0.00553376|-0.00002802|-0.00000990|0.00024026|0.00000442|0.00059487|-0.00083525|-0.00000106|0.00034760|0.00037788|-0.00000003|-0.00009239|-0.00000495|-0.00000053|0.00037337|0.00133729|0.00000148|-0.00033783|0.00063985|0.00000188|-0.00229032|-0.00124596|0.00000147|0.00011692|-0.00001516|-0.00002179|0.00001087|-0.00003531|0.00000005|0.00011670|-0.00001537|0.00002163|-0.01503817|0.00743370|-0.00122233|0.32221603|0.11177901|-0.12024737|-0.00032323|0.03781059|-0.00716589|-0.00007716|0.00025305|-0.01078034|-0.00002477|0.00186672|0.00051750|-0.00000095|-0.00119338|-0.00049383|0.00000044|0.00104129|0.00022603|0.00000042|-0.00081640|0.00132060|0.00000457|0.00006027|-0.00214342|-0.00000426|0.00119479|0.00121597|0.00000018|-0.00027651|0.00004505|-0.00004305|-0.00005058|0.00033586|0.00000052|-0.00027637|0.00004483|0.00004371|-0.01079445|0.00583989|-0.00222031|-0.12826802|0.12540933|0.00064506|-0.00033672|-0.06023144|0.00005127|0.00000456|-0.00260125|0.00000321|-0.00002240|0.00211399|0.00000325|0.00000253|0.00054985|-0.00000308|-0.00000162|-0.00014939|0.00000180|0.00000132|-0.00022660|-0.00000210|-0.00000055|0.00004409|0.00000124|-0.00000647|0.00001441|0.00000703|0.00000520|0.00011270|0.00000626|-0.00001596|0.00003219|-0.00000008|0.00000075|0.00001670|-0.00000786|0.00001626|0.00003259|0.02734225|-0.01573485|0.00274365|-0.00073323|0.00036835|0.05494588|-0.13380824|-0.04108799|-0.12265524|-0.00270506|-0.00308890|-0.00169666|-0.00016296|0.00217150|-0.00003471|-0.00015082|-0.00136748|0.00045417|0.00070626|0.00044370|-0.00011396|-0.00062109|0.00021440|0.00045054|0.00079775|-0.00104284|0.00019755|0.00005269|0.00058065|-0.00014619|-0.00077199|-0.00052066|-0.00010059|-0.00004628|-0.00006981|0.00002667|0.00001083|-0.00011628|-0.00011579|0.00005439|-0.00003750|-0.00011394|0.01186071|0.00689076|0.01652314|-0.01513493|-0.01068624|-0.02731226|0.13942432|-0.03992885|-0.08146499|-0.06892495|-0.02280477|-0.01247756|-0.03437612|-0.00013992|0.00316173|0.00148986|-0.00127063|-0.00082838|0.00137378|0.00172048|-0.00056389|-0.00085208|-0.00151458|0.00137943|0.00248669|0.00176393|-0.00517418|0.00105998|0.00058305|-0.00068171|-0.00050319|0.00006165|0.00045542|0.00002556|-0.00027305|0.00020473|0.00005580|0.00015443|-0.00028823|-0.00018439|-0.00022421|0.00012775|-0.00009315|0.00698498|0.00390652|0.00892860|0.00748762|0.00577397|0.01571751|0.04781817|0.08666237|-0.12169354|-0.06914970|-0.24602072|0.00144985|0.00160019|0.00331857|0.00024311|0.00060721|0.00094514|-0.00008843|-0.00084066|0.00011699|0.00072275|0.00011565|-0.00001421|-0.00033222|0.00064065|-0.00039427|0.00043050|-0.00018556|-0.00031898|0.00007437|-0.00003204|0.00018376|-0.00008856|0.00000329|0.00002398|0.00003403|0.00002514|-0.00002329|0.00001287|-0.00000918|0.00004999|-0.00008081|0.00002579|-0.00001406|-0.01663381|-0.00885095|-0.02450393|0.00131728|0.00227188|0.00290830|0.13455586|0.07387124|0.26373858|0.00001872|-0.00000018|-0.00000048|0.00248672|-0.00135614|0.00001178|0.00736816|0.00158048|-0.00000648|-0.31048782|0.12696735|0.00055281|-0.03087644|0.00884431|0.00006117|-0.00331139|-0.00484468|0.00000729|0.00031773|-0.00005765|-0.00000110|0.00021427|-0.00001061|-0.00000291|-0.00017639|0.00011840|0.00000054|-0.00022318|-0.00021191|0.00013289|-0.00017520|0.00112490|0.00000170|-0.00022305|-0.00021115|-0.00013262|-0.00000404|0.00006979|0.00000029|-0.00000952|0.00002962|-0.00000009|-0.00000420|0.00006959|0.00000000|0.33517558|0.00142989|-0.00020631|-0.00000188|-0.00101298|-0.00491481|-0.00003231|0.03542353|-0.02899683|-0.00009778|0.12805006|-0.12913162|-0.00029203|-0.02619478|0.01239924|0.00004803|-0.00512371|-0.00164892|-0.00001460|0.00025726|0.00034420|0.00000108|-0.00018153|0.00023936|0.00000445|0.00014136|0.00002903|-0.00000027|-0.00000124|-0.00008037|0.00001026|-0.00020454|0.00065510|0.00000251|-0.00000199|-0.00008076|-0.00001123|-0.00003733|0.00001067|0.00004088|-0.00005624|-0.00054441|-0.00000065|-0.00003731|0.00001117|-0.00004071|-0.13235939|0.15172567|0.00000240|0.00000047|-0.00032478|0.00001310|-0.00003234|0.01356727|0.00005434|-0.00005361|-0.00008463|0.00055644|-0.00029228|-0.05903016|-0.00000362|0.00000405|0.00434169|0.00000642|-0.00001439|0.00971070|-0.00000075|0.00000073|-0.00043705|-0.00000327|0.00000419|-0.00205576|0.00000060|-0.00000022|0.00006625|-0.00019521|-0.00011627|0.00018643|-0.00000080|0.00000080|-0.00053561|0.00019623|0.00011581|0.00018669|0.00006121|0.00005008|0.00001040|-0.00000026|-0.00000079|-0.00011725|-0.00006139|-0.00005006|0.00001014|-0.00062542|0.00038388|0.03443692|-0.00090957|0.00043013|-0.00006932|-0.00001246|0.00074871|0.00017364|0.00006584|-0.00031626|-0.00015879|-0.00022163|-0.00011813|-0.00004079|0.00040772|-0.00054315|-0.00003474|0.00064461|0.00118484|-0.00025770|0.00043809|-0.00133203|0.00099134|0.00062067|0.01687447|0.02191635|-0.04966506|-0.07163983|-0.12577962|-0.00107552|0.00084253|-0.00082591|0.00023004|0.00021826|0.00002499|0.00064282|-0.00061199|-0.00073086|0.00035871|-0.00014727|-0.00007466|-0.00063929|-0.00077819|0.00058080|0.00016632|-0.00010544|0.00002968|0.00003417|-0.00006090|0.00003384|0.04934269|-0.00008029|-0.00015542|0.00011980|0.00038429|-0.00013720|-0.00012723|0.00021845|-0.00010821|0.00000617|0.00006698|0.00016529|-0.00005036|-0.00015553|0.00015319|-0.00002975|-0.00056308|-0.00045034|0.00020333|0.00057276|0.00188031|0.00028122|-0.01543894|-0.01930098|-0.03734603|-0.04376005|-0.19211315|-0.17841874|0.00469656|-0.00300796|0.00264479|-0.00025610|-0.00139428|-0.00085199|-0.00099726|0.00026754|0.00064298|-0.00004352|0.00000671|-0.00000318|-0.00042782|0.00031193|0.00015487|0.00000875|0.00001799|-0.00002622|-0.00000016|0.00000418|0.00000586|0.04887134|0.19837903|0.00074893|-0.00072287|0.00026240|-0.00003612|-0.00076044|-0.00005236|-0.00008573|0.00036256|-0.00002663|0.00006457|-0.00006880|0.00002554|-0.00001317|0.00037538|-0.00003372|-0.00046793|-0.00050248|0.00005153|0.00043057|0.00120803|-0.00007211|-0.00073245|0.00145773|0.00381281|-0.07820070|-0.16692929|-0.34115268|0.00000660|0.00198959|0.00212015|-0.00010598|-0.00039002|0.00043939|0.00041672|-0.00084882|0.00065767|-0.00036495|0.00015403|-0.00001597|-0.00030080|0.00055302|-0.00004919|-0.00029654|0.00008372|-0.00002832|-0.00001452|0.00003357|0.00000405|0.09166871|0.18755910|0.36215973|-0.00091056|0.00043179|0.00007590|-0.00001281|0.00075102|-0.00017134|0.00006634|-0.00031764|0.00015751|-0.00022162|-0.00011810|0.00004105|0.00040777|-0.00054393|0.00003151|0.00064565|0.00118495|0.00026084|0.00043378|-0.00133012|-0.00099734|0.00055939|0.01694613|-0.02184635|-0.04907824|-0.07158864|0.12468704|0.00064458|-0.00061233|0.00072840|0.00022983|0.00021881|-0.00002328|-0.00107257|0.00083184|0.00083752|0.00016597|-0.00010545|-0.00003087|-0.00063746|-0.00077651|-0.00058280|0.00036009|-0.00014812|0.00007275|0.00003412|-0.00006084|-0.00003417|-0.00044333|0.00662099|-0.01277301|0.04881397|-0.00007806|-0.00015697|-0.00012095|0.00038428|-0.00014011|0.00012583|0.00021799|-0.00010692|-0.00000702|0.00006730|0.00016480|0.00005073|-0.00015545|0.00015419|0.00003083|-0.00056478|-0.00045110|-0.00020379|0.00057294|0.00188424|-0.00027554|-0.01533399|-0.01942958|0.03730968|-0.04351288|-0.19330660|0.17905175|-0.00099803|0.00026803|-0.00064246|-0.00025420|-0.00139800|0.00084606|0.00469009|-0.00299116|-0.00267481|0.00000786|0.00001826|0.00002637|-0.00042776|0.00031374|-0.00015227|-0.00004458|0.00000718|0.00000342|-0.00000022|0.00000431|-0.00000585|0.00650799|0.01663384|-0.02375890|0.04864265|0.19967900|-0.00074563|0.00071942|0.00026901|0.00003736|0.00075774|-0.00004902|0.00008618|-0.00036179|-0.00002852|-0.00006363|0.00006955|0.00002607|0.00001145|-0.00037301|-0.00003512|0.00046396|0.00049726|0.00005085|-0.00043001|-0.00119690|-0.00007406|0.00068881|-0.00158773|0.00399797|0.07720828|0.16764471|-0.34053289|-0.00042008|0.00084883|0.00065876|0.00010543|0.00038253|0.00044377|0.00001873|-0.00201101|0.00210115|0.00029510|-0.00008285|-0.00002962|0.00030053|-0.00054898|-0.00005326|0.00036405|-0.00015375|-0.00001815|0.00001443|-0.00003339|0.00000394|0.01271639|0.02389374|-0.02782466|-0.09059583|-0.18825706|0.36137725|-0.00012188|0.00006452|-0.00001200|0.00179697|0.00086089|-0.00057987|-0.00107363|0.00097203|0.00022174|-0.00040499|-0.00112467|0.00022429|0.00056469|-0.00020386|-0.00051771|-0.00075048|0.00183832|-0.00164192|-0.00168953|-0.00226982|-0.00200266|-0.00708131|0.00138167|0.00130793|0.00145245|0.00003364|0.00048014|-0.34986425|-0.02782435|-0.02397415|-0.00958905|-0.00243614|0.00043140|0.00007341|0.00009043|0.00230373|-0.00000562|-0.00005301|0.00001554|0.00004656|-0.00006119|-0.00000156|0.00000323|-0.00006999|-0.00001290|-0.00006755|0.00000680|0.00003652|0.00018285|-0.00012266|0.00001058|-0.00028294|-0.00009620|-0.00014295|0.37607279|-0.00011338|0.00010070|-0.00002492|-0.00103789|0.00089288|-0.00062629|0.00031063|0.00051717|0.00074968|-0.00086087|-0.00030380|-0.00071986|0.00232925|0.00043034|0.00011811|-0.00073111|-0.00462820|0.00519016|-0.00168375|-0.00268952|-0.00513163|-0.03076064|-0.00048881|-0.00302805|0.00131572|0.00230998|0.00257002|-0.02629225|-0.05610608|-0.00248620|0.02955802|0.00612483|0.00392521|0.00018499|-0.00192512|-0.00017358|0.00002203|-0.00011556|0.00002614|0.00002159|-0.00003874|-0.00000620|0.00001899|-0.00009650|-0.00000501|0.00012402|0.00008110|-0.00005353|0.00033317|0.00039079|-0.00002382|-0.00032398|-0.00025242|-0.00007441|0.02981669|0.05427235|-0.00004649|0.00007466|-0.00008702|0.00078281|0.00075080|-0.00053705|-0.00103500|0.00077981|0.00047365|-0.00060826|-0.00090525|0.00025175|-0.00010054|-0.00025625|-0.00029534|-0.00159376|0.00238022|-0.00291444|-0.00242544|-0.00294502|-0.00178083|-0.01764509|0.00203632|-0.00107479|0.00085507|0.00110324|0.00138582|-0.01743508|-0.00185944|-0.06831088|-0.01654497|-0.00555068|-0.00104659|-0.00228970|-0.00024030|0.00020377|-0.00001533|-0.00006421|0.00001202|0.00002521|-0.00003944|-0.00000461|-0.00001645|-0.00004892|0.00000359|-0.00006089|-0.00000710|0.00003962|0.00002498|0.00022955|-0.00002766|0.00002307|-0.00013642|0.00001094|0.02532694|0.00156462|0.06759121|0.00001341|-0.00004174|-0.00005117|-0.00034800|-0.00033446|0.00003544|0.00035431|-0.00027493|0.00003701|0.00010688|0.00034467|-0.00004319|-0.00007457|0.00008269|0.00009378|0.00184865|-0.00014437|-0.00118671|0.00160658|0.00067989|-0.00090402|0.00087297|0.00150977|-0.00801748|0.00009571|0.00048253|0.00042785|-0.12365516|-0.00633848|0.11784014|0.00456909|-0.00196719|-0.01113932|-0.00089405|0.00012218|-0.00378081|0.00001251|0.00002350|-0.00000690|-0.00001433|0.00001867|0.00001019|-0.00000014|0.00001950|0.00000569|0.00001850|-0.00000315|0.00000355|0.00008883|0.00009591|-0.00001828|0.00008597|0.00006471|0.00026288|-0.01183815|-0.00144667|0.03197371|0.12480897|0.00006526|-0.00002590|0.00003221|-0.00019914|0.00010224|0.00012606|-0.00013476|-0.00004044|-0.00009376|0.00008592|-0.00010361|0.00013741|0.00044575|0.00004619|-0.00041216|-0.00274600|0.00021483|-0.00019291|0.00257569|0.00014561|0.00062074|0.01426528|0.00697584|-0.01836396|-0.00038405|0.00012523|-0.00090812|-0.00652446|-0.06481836|0.01141827|-0.01339778|0.00302295|0.01646940|0.00039533|-0.00125726|0.00009723|-0.00004173|-0.00000115|-0.00000623|0.00000332|0.00003047|-0.00002614|-0.00000497|0.00002289|0.00000978|0.00002177|0.00000835|0.00001187|-0.00010480|-0.00070388|0.00028334|0.00008538|-0.00032954|0.00010711|-0.00139187|0.00073093|0.00295950|0.00708240|0.05382332|0.00005157|-0.00003378|0.00007327|-0.00103765|-0.00003256|0.00011348|0.00002525|-0.00054970|-0.00003951|0.00024806|0.00053218|-0.00026023|-0.00150850|0.00009524|0.00048295|0.00244451|0.00075259|0.00015377|0.00142825|-0.00035220|0.00172177|0.00739245|0.00638818|-0.01186271|-0.00021251|-0.00072412|-0.00027525|0.11317845|0.01122722|-0.29028820|0.00670670|-0.00316942|-0.01119709|-0.00433094|-0.00073365|-0.00811312|-0.00006753|-0.00003678|0.00000136|-0.00000140|0.00004259|-0.00003604|0.00000911|0.00002922|0.00001416|-0.00003792|-0.00001242|-0.00000665|0.00005349|-0.00034551|0.00002629|0.00013415|-0.00054753|-0.00015869|-0.00127325|-0.00025279|0.00640049|-0.12423890|-0.01290410|0.31501814|-0.00063137|0.00005328|0.00000072|0.00206929|-0.00201629|-0.00000593|-0.00054587|0.00083477|0.00000231|0.00008569|-0.00057656|-0.00000130|0.00258182|0.00328696|0.00000209|0.00461335|-0.03630463|-0.00007479|-0.00786540|-0.00333671|0.00000613|-0.00396163|0.00434096|0.00000648|0.00126403|0.00176898|0.00000651|0.00374189|0.01237526|0.00480552|-0.07325276|-0.05255150|-0.00008692|0.00370078|0.01234867|-0.00475097|-0.00003798|-0.00015443|0.00000932|0.00005912|-0.00003371|-0.00000021|-0.00003798|-0.00015461|-0.00000971|-0.00006030|0.00002318|0.00000010|-0.00005912|0.00033846|0.00018330|-0.00005928|0.00033689|-0.00018228|0.00036713|-0.00088139|0.00048435|0.00007273|-0.00006534|-0.00029578|0.06751693|-0.00006012|0.00003822|0.00000051|0.00095731|-0.00025500|-0.00000230|-0.00031977|0.00076602|0.00000161|-0.00053619|-0.00049781|-0.00000007|-0.00059137|0.00097325|0.00000375|0.00188661|-0.00347677|-0.00000592|-0.00087696|0.00004367|-0.00000242|0.00313635|-0.00379957|-0.00000149|-0.00077543|-0.00066154|-0.00000730|-0.00322046|-0.00699382|-0.00347778|-0.05870534|-0.35978368|-0.00047002|-0.00316972|-0.00694247|0.00343294|-0.00002226|-0.00003900|0.00001372|0.00000144|0.00003728|0.00000010|-0.00002234|-0.00003881|-0.00001383|-0.00004368|0.00000242|0.00000007|-0.00001546|-0.00025539|-0.00002149|-0.00001578|-0.00025245|0.00002117|0.00045355|0.00039915|0.00003130|0.00008732|-0.00043914|0.00049146|0.06131220|0.38121583|0.00000039|0.00000038|-0.00020337|-0.00000052|0.00000146|0.00031746|0.00000026|0.00000012|0.00009076|-0.00000119|0.00000004|-0.00009228|-0.00000525|-0.00000119|-0.00063293|-0.00000434|0.00004244|-0.00160672|0.00001082|0.00000095|0.00195355|0.00000405|-0.00000287|-0.00512714|0.00000221|-0.00001025|0.00374408|0.01129971|0.01716862|0.00740845|-0.00009839|-0.00047824|-0.06494263|-0.01130249|-0.01725278|0.00739950|0.00000019|0.00003600|0.00000948|-0.00000009|0.00000012|-0.00000478|-0.00000013|-0.00003579|0.00000930|-0.00000002|-0.00000002|-0.00000528|-0.00008385|0.00077547|-0.00013155|0.00008341|-0.00077700|-0.00013400|-0.00011454|-0.00147883|0.00098839|0.00028229|0.00083496|-0.00056977|0.00009321|0.00053180|0.05110944|0.00001345|-0.00004184|0.00005112|-0.00034517|-0.00033418|-0.00003535|0.00035409|-0.00027321|-0.00003904|0.00010621|0.00034296|0.00004347|-0.00007058|0.00008272|-0.00009196|0.00184455|-0.00015039|0.00118296|0.00160481|0.00067710|0.00090773|0.00087413|0.00146382|0.00798956|0.00009516|0.00048587|-0.00042693|-0.00087332|0.00011034|0.00376214|0.00458004|-0.00199952|0.01109114|-0.12425889|-0.00593030|-0.11829666|-0.00000018|0.00001947|-0.00000557|-0.00001437|0.00001861|-0.00001017|0.00001267|0.00002355|0.00000695|0.00001860|-0.00000310|-0.00000363|0.00008507|0.00006704|-0.00026314|0.00008870|0.00009671|0.00001843|0.00071995|0.00007572|0.00044527|0.00155000|-0.00014464|0.00113117|0.00007277|0.00008708|-0.00028362|0.12545971|0.00006528|-0.00002588|-0.00003292|-0.00020321|0.00010261|-0.00012560|-0.00013453|-0.00004288|0.00009412|0.00008663|-0.00010109|-0.00013704|0.00044103|0.00004505|0.00040946|-0.00273607|0.00021696|0.00019954|0.00257927|0.00014628|-0.00063256|0.01433966|0.00693229|0.01839515|-0.00038198|0.00011828|0.00091034|0.00037911|-0.00125999|-0.00007299|-0.01341536|0.00307124|-0.01638279|-0.00613386|-0.06473696|-0.01056811|-0.00000491|0.00002306|-0.00000971|0.00000340|0.00003049|0.00002648|-0.00004193|-0.00000126|0.00000637|0.00002159|0.00000835|-0.00001188|0.00008550|-0.00033109|-0.00010760|-0.00010541|-0.00070425|-0.00028560|0.00011444|-0.00010657|0.00008633|-0.00014010|0.00257671|0.00012783|-0.00006858|-0.00043420|-0.00083431|0.00665428|0.05373190|-0.00005104|0.00003349|0.00007348|0.00103859|0.00003354|0.00011060|-0.00002706|0.00055072|-0.00003697|-0.00024881|-0.00053285|-0.00026220|0.00151191|-0.00009702|0.00048054|-0.00245916|-0.00075195|0.00015457|-0.00141887|0.00034436|0.00172195|-0.00737244|-0.00632281|-0.01181885|0.00021000|0.00072453|-0.00026889|0.00431355|0.00075854|-0.00813141|-0.00679717|0.00322689|-0.01125781|-0.11363414|-0.01037835|-0.28976509|-0.00000918|-0.00002930|0.00001403|0.00000130|-0.00004234|-0.00003619|0.00006732|0.00003663|0.00000125|0.00003793|0.00001249|-0.00000674|-0.00013445|0.00054654|-0.00015605|-0.00005388|0.00034260|0.00002659|-0.00020128|-0.00001055|0.00051894|-0.00114019|-0.00011155|-0.00171769|0.00029389|-0.00049116|-0.00057470|0.12475718|0.01192215|0.31446014|-0.00012178|0.00006431|0.00001265|0.00179672|0.00085687|0.00057694|-0.00107165|0.00097100|-0.00021426|-0.00040409|-0.00112171|-0.00022672|0.00056655|-0.00020512|0.00051480|-0.00074256|0.00182621|0.00164310|-0.00167865|-0.00226986|0.00199428|-0.00703911|0.00138153|-0.00128767|0.00144921|0.00003237|-0.00048015|0.00007335|0.00009950|-0.00230296|-0.00954646|-0.00242000|-0.00041857|-0.34977146|-0.02790856|0.02460414|0.00000326|-0.00006995|0.00001258|0.00004654|-0.00006109|0.00000108|-0.00000559|-0.00005278|-0.00001573|-0.00006749|0.00000695|-0.00003624|-0.00028244|-0.00009613|0.00014333|0.00018265|-0.00012326|-0.00001160|0.00148936|0.00002111|-0.00012443|0.00071931|0.00011346|0.00020122|0.00036616|0.00045303|0.00011788|-0.01191740|-0.00140422|0.00131599|0.37595559|-0.00011347|0.00010082|0.00002629|-0.00103348|0.00089335|0.00063402|0.00030491|0.00052278|-0.00075036|-0.00086135|-0.00030988|0.00071992|0.00232878|0.00042980|-0.00012116|-0.00075070|-0.00460019|-0.00519469|-0.00167978|-0.00271893|0.00513277|-0.03081706|-0.00049248|0.00311033|0.00131221|0.00232353|-0.00257033|0.00017697|-0.00192656|0.00016523|0.02948686|0.00611872|-0.00397515|-0.02635066|-0.05612034|0.00259954|0.00001892|-0.00009676|0.00000456|0.00002166|-0.00003893|0.00000587|0.00002189|-0.00011565|-0.00002672|0.00012394|0.00008089|0.00005340|-0.00032349|-0.00025288|0.00007446|0.00033329|0.00039152|0.00002443|0.00002080|0.00050110|0.00005668|0.00007737|-0.00010627|0.00000804|-0.00087585|0.00039380|0.00147893|-0.00132810|0.00074096|0.00023539|0.02990634|0.05428159|0.00004614|-0.00007409|-0.00008749|-0.00079234|-0.00074775|-0.00053681|0.00103999|-0.00078190|0.00046593|0.00060668|0.00090587|0.00025673|0.00010720|0.00025949|-0.00029636|0.00158534|-0.00239104|-0.00295072|0.00241908|0.00294727|-0.00176228|0.01754676|-0.00203768|-0.00111338|-0.00085042|-0.00109997|0.00137588|0.00229051|0.00023221|0.00020530|0.01667598|0.00558362|-0.00108244|0.01807085|0.00197677|-0.06840302|0.00001656|0.00004876|0.00000372|-0.00002523|0.00003948|-0.00000435|0.00001543|0.00006382|0.00001219|0.00006163|0.00000724|0.00003980|-0.00002351|0.00013558|0.00001132|-0.00002428|-0.00022766|-0.00002828|0.00011596|-0.00004826|-0.00180097|-0.00044557|-0.00008896|0.00051928|-0.00048603|-0.00003470|0.00099471|-0.03193105|-0.00297665|0.00647050|-0.02601969|-0.00169144|0.06771074| 161.09530 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 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 90.1240 123.3170 179.2573 242.2362 254.2516 289.5536 339.1274 397.4892 473.4414 509.1043 530.9943 571.1468 629.7859 635.5765 693.2719 696.3517 767.4552 881.6539 901.9542 928.0847 930.4893 974.0654 986.0236 1019.9829 1055.6535 1086.5710 1095.5275 1110.6667 1150.0702 1161.9243 1173.0243 1215.9114 1265.6609 1266.9272 1327.7549 1358.3122 1359.4470 1362.5338 1421.6089 1423.8365 1443.6657 1479.6558 1518.2177 1559.7967 1611.1624 1625.9875 1628.3360 1637.6623 1678.6964 1823.1578 1829.9682 1833.6119 3222.8661 3239.2929 3246.1637 3280.0379 3299.4904 3306.8297 3313.1274 3340.1937 3387.4107 3728.3119 3816.6834 1.0815 2.8058 3.6939 3.6151 3.0905 1.3492 2.9228 2.4212 3.7013 2.8568 3.2144 4.0838 4.7422 3.8206 3.7788 3.0683 3.3447 4.1826 3.0076 2.3902 2.7963 2.0058 2.5386 2.3574 2.1044 5.2863 1.5033 1.5112 1.8333 1.0743 1.5791 1.7655 2.4232 1.4898 3.2273 2.1620 1.3841 2.1769 1.7291 2.7421 2.4089 3.0712 5.3804 1.3064 2.2406 1.0451 1.0898 1.1056 1.1600 2.2505 1.7544 8.6965 1.0382 1.0574 1.0605 1.1021 1.1116 1.1096 1.1016 1.0927 1.0927 1.0502 1.0946 0.0052 0.0251 0.0699 0.1250 0.1177 0.0666 0.1980 0.2254 0.4888 0.4363 0.5340 0.7849 1.1082 0.9093 1.0701 0.8766 1.1607 1.9155 1.4416 1.2130 1.4265 1.1213 1.4542 1.4450 1.3817 3.6772 1.0630 1.0984 1.4286 0.8545 1.2802 1.5379 2.2871 1.4089 3.3522 2.3502 1.5071 2.3811 2.0589 3.2754 2.9580 3.9616 7.3069 1.8727 3.4268 1.6280 1.7025 1.7470 1.9260 4.4073 3.4614 17.2270 6.3538 6.5374 6.5840 6.9863 7.1298 7.1492 7.1244 7.1827 7.3874 8.6009 9.3945 0.0072 0.5860 0.3471 1.2694 7.4446 30.9785 9.1789 15.7222 0.9077 6.5984 1.4763 10.0032 9.1468 1.5964 4.0669 1.8629 17.0837 7.9662 17.5433 2.1939 73.1285 152.5946 3.9850 19.5008 4.9722 18.5761 0.3393 0.4065 15.8804 0.0718 2.4765 0.9749 15.4121 1.9111 10.5066 15.2423 0.0553 4.3438 0.0444 19.1603 62.3558 24.3203 17.4228 2.7813 53.4984 2.1123 18.8076 0.6837 2.7017 201.9852 31.8064 172.0562 19.6840 68.1213 13.5584 14.7297 16.6502 51.2392 29.9359 31.1399 44.2406 0.6163 3.7102 0.4197 0.4297 3.3600 0.9148 0.3495 2.6995 2.5920 1.3352 4.3164 1.1159 1.5922 0.8059 5.8317 0.1738 1.3844 21.4353 0.9642 5.4127 2.5539 4.3987 1.5850 0.9062 5.7775 8.7259 10.9699 3.9486 0.3604 1.1632 12.9384 6.8987 0.8172 1.9895 3.2756 3.4589 7.9952 5.3578 1.0956 2.4714 10.1809 3.7021 4.8653 6.7411 3.1421 8.2567 7.3987 13.0311 22.0460 11.6114 5.9684 8.5629 1.7461 3.6973 151.9323 2.0905 214.1032 95.6727 32.6438 174.5401 47.3491 135.7864 153.6531 87.1925 53.2391 0.7500 0.7500 0.7500 0.4119 0.7500 0.7500 0.7464 0.7500 0.3393 0.7500 0.5791 0.3434 0.4425 0.7500 0.7500 0.0822 0.6824 0.7500 0.7240 0.7500 0.7321 0.1415 0.7500 0.2435 0.1377 0.4016 0.7500 0.7500 0.2931 0.7500 0.7500 0.6579 0.5588 0.7500 0.1702 0.4932 0.7500 0.5828 0.7500 0.2638 0.2672 0.2109 0.7419 0.4687 0.6350 0.7500 0.6624 0.7500 0.6876 0.3256 0.1441 0.6833 0.0480 0.7498 0.1474 0.7500 0.7500 0.6324 0.7486 0.2529 0.2848 0.1179 0.7500 0.8571 0.8571 0.8571 0.5835 0.8571 0.8571 0.8548 0.8571 0.5067 0.8571 0.7335 0.5112 0.6135 0.8571 0.8571 0.1518 0.8112 0.8571 0.8399 0.8571 0.8454 0.2479 0.8571 0.3917 0.2421 0.5731 0.8571 0.8571 0.4533 0.8571 0.8571 0.7936 0.7170 0.8571 0.2909 0.6606 0.8571 0.7365 0.8571 0.4174 0.4217 0.3483 0.8518 0.6382 0.7767 0.8571 0.7969 0.8571 0.8149 0.4912 0.2519 0.8119 0.0916 0.8570 0.2569 0.8571 0.8571 0.7748 0.8562 0.4037 0.4433 0.2110 0.8571 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 6 6 7 6 7 6 6 6 7 6 6 6 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 14.00307 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 1180.27870 1753.49137 2644.15762 0.99878 -0.04938 0.00000 0.04938 0.99878 0.00000 -0.00000 -0.00000 1.00000 1 0.07338 0.04940 0.03276 1.52908 1.02923 0.68254 129.67 177.43 257.91 348.52 365.81 416.60 487.93 571.90 681.18 732.49 763.98 821.75 906.12 914.45 997.46 1001.89 1104.20 1268.50 1297.71 1335.31 1338.77 1401.46 1418.67 1467.53 1518.85 1563.33 1576.22 1598.00 1654.69 1671.75 1687.72 1749.43 1821.00 1822.83 1910.34 1954.31 1955.94 1960.38 2045.38 2048.58 2077.11 2128.89 2184.38 2244.20 2318.10 2339.43 2342.81 2356.23 2415.27 2623.12 2632.92 2638.16 4636.99 4660.62 4670.51 4719.24 4747.23 4757.79 4766.85 4805.79 4873.73 5364.21 5491.36 0.206699 0.215726 0.216670 0.172451 -510.305170 -510.296144 -510.295199 -510.339418 1.483113D-04 MUNgauss RevisionA2.1 retrievium 07-Jan-2023 GDB_13 Smiles: CC1=NC=NC2=C1C1(N)CC2C1 RHF 6-31G(d) (6D,10F) C1 161.095297 |X|Y|Z| 30.806334 25.474658 12.160474 21.211252 10 6 7 8 2 |36.858105| |12.668323|36.858105| |7.889893|14.074335|53.358707| |5.260299|8.339903|19.956915|36.858105| |4.459283|6.868040|10.935748|14.173330|53.358707| |5.018212|8.078494|9.801239|8.654489|19.998354|36.858105| |7.451638|13.985948|11.106981|7.236953|10.806477|13.559290|36.858105| |5.499082|6.955951|6.711596|4.646217|7.294865|8.353442|12.390638|36.858105| |5.376347|5.567145|5.480596|3.629832|5.293997|5.200379|7.267899|13.321500|53.358707| |4.159419|5.251631|5.790623|4.356062|7.367791|8.124493|8.062797|12.243484|10.024400|36.858105| |3.935712|5.320172|6.290600|5.175364|10.141961|12.629426|8.323907|9.228363|7.547467|12.224601|36.858105| |4.159400|5.251654|5.790672|4.356114|7.367868|8.124681|8.062933|12.243390|10.024293|9.029608|12.224586|36.858105| |17.566504|8.944273|9.641458|4.857698|5.499435|4.346519|5.862100|4.540099|6.099882|3.745816|3.470901|3.504402|0.500000| |17.616403|8.816620|7.761447|4.294531|5.347080|4.637071|6.999741|6.100830|9.286317|4.366960|3.921851|4.367204|0.300415|0.500000| |17.566515|8.944171|9.643080|4.858075|5.499428|4.346260|5.861415|4.539355|6.098685|3.504105|3.470586|3.745220|0.302988|0.300415|0.500000| |4.291179|5.867961|12.803230|17.718983|12.626770|6.012098|5.138426|3.685723|4.101592|3.556282|4.157053|3.556316|0.114832|0.098958|0.114843|0.500000| |5.725369|5.523437|5.439051|3.519671|4.978810|4.706468|6.579049|9.408128|25.885339|5.545924|4.767650|6.579993|0.126912|0.211675|0.138666|0.081853|0.500000| |5.724887|5.523086|5.438813|3.519575|4.978749|4.706416|6.578749|9.408199|25.885253|6.580446|4.767751|5.545937|0.138693|0.211618|0.126883|0.081851|0.326658|0.500000| |3.488449|4.112740|4.676749|3.506547|5.754973|5.707324|5.679901|8.656048|9.193925|17.593651|8.604050|7.756071|0.088445|0.103980|0.083848|0.082611|0.142230|0.166432|0.500000| |4.165902|5.214371|5.917747|4.439158|7.256927|7.269258|7.236956|8.365119|8.219418|17.575507|8.362079|6.103503|0.109063|0.118843|0.095600|0.101581|0.130818|0.169173|0.296871|0.500000| |3.254995|4.215834|5.336579|4.566701|9.012690|8.531415|5.776574|6.116044|5.843287|8.169351|17.668942|8.169312|0.081805|0.089331|0.081799|0.107668|0.105649|0.105651|0.195925|0.181729|0.500000| |4.165870|5.214432|5.917872|4.439287|7.257117|7.269575|7.237182|8.365065|8.219282|6.103514|8.362122|17.575497|0.095604|0.118856|0.109043|0.101583|0.169160|0.130815|0.149481|0.130317|0.181728|0.500000| |3.488441|4.112758|4.676783|3.506580|5.755017|5.707401|5.679964|8.656030|9.193852|7.756058|8.604037|17.593772|0.083856|0.103984|0.088432|0.082611|0.166418|0.142233|0.229700|0.149481|0.195924|0.296871|0.500000| 510.096005 -2603.753209 947.519335 -70.648669 -1216.786538 706.274671 -510.511867 2.000815 4057FFFFFFFFFFFD 41AA71919FFFFFFF 4143ADD194D65359 40CA8FFFFFFFFFFE 4042000000000000 418C00DD5FFFFFFF