Version2.5 2022-11-17T07:13:00Z 10.1021/ja902302h Gaussian16 RevisionB.01 SBUNGAY 11-Nov-2022 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) GDB_13 Smiles: CC1NC(=N)N(N2CC12)C(C)=C RHF 6-31G(d) (6D,7F) CC1NC(=N)N(N2CC12)C(C)=C C1[X(C8H14N4)] 72 C1 208 CC1NC(=N)N(N2CC12)C(C)=C CC1NC(=N)N(N2C1C2)C(=C)C CC1NC(=N)N(N2CC12)C(C)=C InChIKey=WGLIONUFVHZMDJ-UHFFFAOYSA-N InChI=1S/C8H14N4/c1-5(2)12-8(9)10-6(3)7-4-11(7)12/h6-7H,1,4H2,2-3H3,(H2,9,10) InChI=1/C8H14N4/c1-5(2)12-8(9)10-6(3)7-4-11(7)12/h6-7H,1,4H2,2-3H3,(H2,9,10)/f/h9-10H CC1NC(=N)N(N2CC12)C(C)=C C01[X(C8H14N4)] 72 C1 208 CC1NC(=N)N(N2CC12)C(C)=C C[C@H]1N[C@@H](N)N([N@@]2[C@H]1C2)C(C)C CC(C)N1[C@H](N)N[C@H](C)[C@@H]2CN12 InChIKey=ATIYNGNHZUEBSY-UVMAFCGOSA-N InChI=1S/C8H18N4/c1-5(2)12-8(9)10-6(3)7-4-11(7)12/h5-8,10H,4,9H2,1-3H3/t6-,7+,8-,11+/m1/s1 InChI=1/C8H18N4/c1-5(2)12-8(9)10-6(3)7-4-11(7)12/h5-8,10H,4,9H2,1-3H3/t6-,7+,8-,11+/m1/s1 5.282108756772D+02 -2.740367925013D+03 752.9764099158 -528.778388 1-A 2039.8858 45 163 208 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -15.60555 -15.60125 -15.58358 -15.50534 -11.34224 -11.28613 -11.26903 -11.25690 -11.25676 -11.23612 -11.19637 -11.19218 -1.37581 -1.27034 -1.21553 -1.14252 -1.04956 -1.02225 -0.93141 -0.90910 -0.89278 -0.83587 -0.80052 -0.73255 -0.70987 -0.69623 -0.66570 -0.64029 -0.62560 -0.61625 -0.58951 -0.56872 -0.55878 -0.55165 -0.53757 -0.53319 -0.52395 -0.50996 -0.49516 -0.47563 -0.42270 -0.40182 -0.38171 -0.35183 -0.31048 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.18797 0.20901 0.23744 0.25394 0.26322 0.27540 0.27653 0.28625 0.29317 0.30514 0.31014 0.32053 0.32462 0.33932 0.35240 0.36207 0.37621 0.37825 0.38602 0.39979 0.43312 0.44012 0.48032 0.50020 0.51325 0.53755 0.55645 0.60106 0.67404 0.69062 0.71095 0.73422 0.74922 0.75914 0.76536 0.79149 0.79588 0.81784 0.83723 0.84421 0.85708 0.87018 0.88216 0.88970 0.90302 0.91345 0.93545 0.95048 0.95687 0.98736 1.00240 1.01751 1.03853 1.05368 1.07864 1.10437 1.12364 1.12752 1.13349 1.14481 1.14850 1.15943 1.16520 1.18316 1.19578 1.20308 1.21355 1.22720 1.22853 1.23515 1.24140 1.25481 1.27932 1.29061 1.30360 1.33214 1.36492 1.41976 1.43990 1.45708 1.51291 1.51919 1.55700 1.57606 1.60829 1.62201 1.67377 1.69127 1.73576 1.73817 1.78291 1.83625 1.87159 1.94994 1.97556 1.98584 1.98980 2.01782 2.03121 2.04426 2.06219 2.10126 2.13511 2.14742 2.15785 2.18839 2.20446 2.23412 2.24228 2.27225 2.28323 2.30754 2.31759 2.34174 2.40937 2.41560 2.44446 2.48470 2.50161 2.53458 2.56162 2.57891 2.59706 2.60712 2.64862 2.66722 2.67834 2.71172 2.73519 2.75585 2.77878 2.81926 2.83230 2.85947 2.86988 2.88536 2.91644 2.96416 2.97452 3.00103 3.03792 3.07676 3.14656 3.16412 3.16876 3.25829 3.27936 3.32365 3.37237 3.58871 3.66378 4.39092 4.40929 4.49754 4.59754 4.63148 4.66778 4.71063 4.74616 4.78733 4.88183 4.99433 5.06115 13.56341 -4.5545 0.1844 -0.6608 4.6059 |XX|YY|ZZ|XY|XZ|YZ| -68.8629 -70.2234 -74.1674 -3.9924 -1.3035 -2.8191 |XX|YY|ZZ|XY|XZ|YZ| 2.2217 0.8611 -3.0829 -3.9924 -1.3035 -2.8191 |XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| -8.2503 12.4748 -1.3365 -20.7084 -2.7721 -9.7110 -10.1517 -1.8413 7.9368 -7.8469 |XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY| -1766.3895 -627.6173 -256.3610 -26.1883 -3.1670 -23.9604 6.3405 -5.2803 -1.8852 -413.7985 -357.2165 -152.3958 -4.0725 -2.8250 1.2088 0 |0.56082555|0.00620447|0.65354318|0.02351206|0.00155797|0.66049493|-0.21950283|0.01385700|0.04294834|0.60943949|0.00223183|-0.09744348|-0.00138495|-0.02319209|0.59420138|0.03228352|-0.00125751|-0.10771497|-0.00729738|-0.01634312|0.66079708|-0.02851872|-0.03578296|-0.03492371|-0.15054274|-0.01004175|-0.05863531|0.74166382|-0.00193050|0.00085944|0.00105479|-0.02927253|-0.16158082|-0.08863648|-0.12153913|0.76859097|-0.00037442|0.00172270|0.00412557|-0.04997042|-0.06955422|-0.15134449|0.10066994|0.25406378|0.25313826|0.00046771|0.00285195|0.00140378|-0.02587850|-0.03112615|-0.00739440|-0.31546059|0.02505461|-0.03434044|0.83565446|-0.00231163|-0.00611024|-0.00522739|-0.02333024|0.01086431|0.01732003|-0.00569132|-0.15181998|-0.04071647|0.13599145|0.87217612|-0.00069832|-0.00279579|-0.00250157|-0.02414619|0.00859778|-0.00044837|0.00304724|-0.04366753|-0.08675234|0.08288710|0.27113609|0.35689888|-0.00061020|-0.00301486|-0.00294020|-0.00156393|0.01088691|0.00789052|-0.06524289|-0.05835218|-0.02743512|-0.29323486|-0.16837461|-0.08707136|0.52138193|0.00038005|0.00015260|-0.00025282|0.00162586|0.00361446|-0.00228367|-0.02773013|0.00586042|-0.00975422|-0.24537525|-0.42469950|-0.16019674|0.05385274|0.79551829|-0.00007531|-0.00032047|-0.00037722|0.00128449|-0.00211954|0.00529890|-0.01774453|-0.01128359|0.02967515|-0.12095816|-0.15316467|-0.15849547|0.05887217|0.30284217|0.20109092|0.00026619|-0.00232024|-0.00010602|0.00998704|0.00535629|-0.00030669|-0.03954828|0.05205069|0.02603859|-0.19386089|0.03456378|0.04109137|0.03056179|-0.01030030|-0.00344594|0.74907099|0.00016554|0.00046774|0.00009414|-0.00123791|-0.00650580|-0.00285489|0.01891398|0.00372018|-0.00622067|0.06882257|-0.24089694|-0.07801809|0.00031431|-0.06725139|-0.03687051|-0.00187479|0.69441055|0.00023290|0.00018854|0.00053723|0.00078239|-0.00183300|-0.00173883|0.01178009|-0.00414857|0.00410955|0.03564046|-0.03898330|-0.07913570|-0.00441647|-0.04205871|-0.01098679|-0.07105875|0.09969533|0.15035806|0.00068462|0.00545482|-0.00167181|-0.02978395|0.00132795|0.01003988|0.00322364|-0.00134969|-0.00344072|0.00614529|0.00500848|-0.00203013|0.00016359|0.00109007|0.00094137|-0.15984873|-0.11360383|-0.01147225|0.61928655|0.00118455|-0.00982382|0.00207487|0.04612866|0.00832684|-0.00919954|-0.00519374|0.00543842|0.00145863|-0.02103505|-0.03734143|-0.00049870|0.00288557|-0.00343492|0.00103342|-0.05212286|-0.24056027|-0.02531884|0.14258030|0.44498438|0.00032394|0.00004351|0.00000085|-0.01156995|0.00346498|-0.00118837|-0.00256440|0.00008892|-0.00043236|-0.00485730|-0.02413593|-0.01357634|0.00341071|0.00132489|0.00177884|0.00745066|0.02571102|-0.04902149|-0.05455005|-0.02252431|0.29628718|0.00007656|-0.00130909|-0.00014315|-0.00242726|0.00790824|-0.01475971|-0.00088803|-0.00227624|0.00026564|0.00716423|-0.00203043|-0.00417216|-0.00053963|0.00251537|0.00100505|-0.02068187|0.00952479|0.01532791|-0.11108581|-0.05519095|0.07824843|0.27859420|-0.00178792|0.00280154|-0.00028827|-0.00858114|-0.00915887|0.03571337|0.00073461|-0.00252753|0.00170101|-0.00234681|0.00106385|0.00894310|-0.00073149|-0.00056497|-0.00164715|-0.01434730|-0.02404182|0.03188235|-0.04767333|-0.08350146|-0.02684764|-0.00750467|0.77421628|0.00009488|-0.00098698|0.00037190|-0.00016809|0.00543096|0.00080935|-0.00048337|0.00353576|-0.00369971|-0.00341494|-0.00011821|0.00451945|0.00032171|-0.00030066|-0.00052807|0.00588220|0.00045778|0.01276121|0.12017485|0.03100594|-0.18262577|-0.02392027|0.01384492|0.74545608|-0.01682638|0.03923964|-0.00548468|-0.11074440|0.05694173|-0.01398611|0.00737019|-0.02375111|0.00104689|0.00917999|-0.00456372|-0.00311735|-0.00168628|0.00352011|0.00077854|-0.02918255|0.00784103|0.01084889|-0.27659306|-0.02836644|-0.03191190|-0.04195521|0.04851286|-0.10903390|0.55447979|0.00728223|0.00421678|-0.00024305|0.03678531|-0.22529351|0.01398932|0.00830462|-0.03912906|-0.00848617|-0.00329988|-0.00146900|-0.00379553|0.00160036|0.00104119|0.00032649|-0.04511257|0.00315328|-0.01667161|0.05165443|-0.09886192|0.02723292|0.02698827|-0.09776087|0.03657840|-0.01870830|0.67959078|0.00201129|-0.00673840|0.00181016|-0.01286832|0.01839556|-0.09915946|0.01263846|-0.03192369|-0.00104926|-0.00340601|0.00047876|0.00245356|-0.00026876|-0.00067787|-0.00100831|0.00078486|-0.01266903|-0.00478151|-0.05430714|0.00025337|-0.02765840|-0.06685121|0.05021742|-0.24404753|0.21616677|0.07617082|0.58748973|-0.00021685|0.00004638|0.00023338|-0.00178886|-0.00049473|-0.00135783|0.00390331|-0.00366269|-0.00205970|-0.01557725|0.03838604|0.00442327|-0.00496580|-0.01277493|-0.00461951|-0.26702306|0.00115332|0.01568126|-0.02376036|-0.01098733|0.00059011|-0.00174931|0.00117586|-0.00052351|-0.00275534|0.00088254|0.00280405|0.66870429|0.00015684|0.00016546|0.00016933|-0.00004829|-0.00108892|-0.00099973|0.00151484|-0.00649457|-0.00365847|0.03917630|0.00549386|0.00681853|-0.00152118|0.00106833|0.00182090|0.02589907|-0.13241517|-0.00383630|-0.04269950|0.00204826|0.00238861|-0.00373686|-0.00114775|-0.00036420|-0.00107014|-0.00605580|0.00077290|-0.15292644|0.80815639|0.00001876|0.00015218|-0.00013020|0.00093391|-0.00036126|0.00044249|-0.00161493|-0.00237063|0.00303055|0.01632208|-0.00567471|-0.00799023|0.00211013|0.00327251|-0.00154540|-0.00086971|0.00596520|-0.05964934|0.00016983|0.00515829|-0.00260683|0.00347655|0.00180141|-0.00074712|-0.00246142|-0.00164545|-0.00146977|0.01779131|-0.28539942|0.37127985|0.00002923|-0.00000802|-0.00005430|0.00025858|0.00021891|0.00024538|-0.00106760|-0.00009514|-0.00064740|0.00033140|-0.00081130|0.00221007|-0.00444955|0.00136100|0.00447214|-0.02675549|-0.02548324|0.01540134|-0.00386068|0.00090745|0.00277966|-0.00109181|-0.00080278|-0.00001330|0.00010686|-0.00068948|0.00052512|-0.13108684|-0.04799942|0.03627952|0.64665225|-0.00002106|-0.00007549|-0.00000357|-0.00006832|0.00021304|-0.00003258|-0.00033273|-0.00071483|-0.00030317|0.00059953|0.00435042|0.00189710|-0.00178450|-0.00228094|-0.00027707|0.00089643|0.00998773|-0.00115714|0.00276021|-0.00076856|-0.00041704|0.00009266|0.00029902|0.00013709|-0.00007394|0.00055549|-0.00011440|-0.04489764|-0.17600008|0.05725056|-0.03981202|0.62166152|-0.00001458|0.00004982|-0.00009494|0.00009863|-0.00001360|0.00045452|-0.00060710|0.00026480|0.00000521|0.00118443|-0.00136782|0.00038401|0.00181221|-0.00045656|-0.00075725|-0.00037338|0.00299623|0.00163121|-0.00225378|-0.00149288|0.00062150|-0.00030034|-0.00007916|-0.00009188|-0.00023036|-0.00003642|0.00022332|0.04545877|0.06262642|-0.13493979|0.01966513|0.02958513|0.60512412|0.00004045|0.00001851|-0.00012984|0.00077998|0.00047788|0.00065189|-0.00190109|0.00231481|0.00184869|-0.00321751|-0.01357500|-0.00635623|0.00251217|0.00341750|0.00127957|-0.04368863|0.04724293|-0.01432752|-0.00335366|0.00520551|-0.00235589|0.00056060|-0.00021467|0.00028225|0.00064079|0.00012828|0.00010096|-0.22365954|0.18295094|-0.07446703|0.01432696|-0.01469201|0.00546881|0.78207248|-0.00004089|-0.00000290|0.00000763|-0.00016079|0.00000096|0.00008333|0.00023437|0.00021956|0.00013118|-0.00319912|0.00235166|-0.00095865|0.00024961|-0.00006290|-0.00032664|0.01462883|0.00154200|0.00216707|-0.00066665|-0.00003225|0.00086166|-0.00066062|0.00056298|0.00070819|-0.00045015|0.00003753|0.00070826|0.18742749|-0.46163827|0.19145601|0.01023411|-0.01749442|0.01775674|-0.13856921|0.76418099|0.00002029|0.00009891|0.00002811|-0.00042816|-0.00029508|-0.00029050|0.00090552|-0.00026035|-0.00037594|0.00096353|-0.00080635|0.00058539|0.00022112|-0.00027904|0.00122969|-0.00103707|-0.00362457|0.01077207|-0.00201676|0.00094716|-0.00016467|0.00074217|-0.00048741|-0.00061595|0.00042767|0.00098400|0.00000082|-0.07638046|0.18987041|-0.16415667|-0.00620925|0.02137256|-0.00147456|-0.05017883|-0.34407914|0.33873223|-0.09343563|0.08957584|-0.01252282|-0.01219482|0.03840857|-0.00672381|0.00344261|0.00061049|0.00086559|-0.00095083|0.00059552|0.00037573|0.00021909|-0.00030744|-0.00003338|0.00099673|-0.00023295|-0.00025240|-0.00170618|0.00309436|0.00030272|0.00049628|-0.00065138|0.00015055|-0.00746223|-0.00352369|0.00150847|0.00013528|-0.00012446|-0.00009105|-0.00001899|0.00003680|-0.00002616|-0.00004538|0.00001731|-0.00003928|0.09933713|0.09196657|-0.30320004|0.03546719|-0.00225968|-0.00022745|-0.00007703|-0.00021833|0.00133058|0.00006911|0.00027749|-0.00001119|-0.00008228|0.00022069|0.00027947|0.00010387|-0.00008361|0.00036457|0.00012760|0.00004054|-0.00019545|-0.00036539|-0.00040410|0.00017089|-0.00015952|0.00045799|0.00099020|-0.00029775|-0.00016865|0.00010739|0.00006724|0.00002733|-0.00002316|0.00002293|0.00002731|-0.00001462|0.00001230|-0.10119113|0.32766932|-0.01299843|0.03672359|-0.06539110|0.00303127|-0.01014287|0.00064223|-0.00056137|0.00040831|-0.00012459|-0.00010727|-0.00009441|-0.00013476|0.00005748|0.00002912|-0.00000099|0.00000592|0.00005488|-0.00003724|-0.00003535|-0.00063844|0.00058708|0.00034515|-0.00020926|0.00044613|0.00180017|0.00088249|-0.00034684|-0.00008126|-0.00002511|0.00003310|0.00000718|-0.00000274|0.00001186|0.00002872|-0.00001337|-0.00000023|0.01335706|-0.03936134|0.06156776|-0.13623110|-0.08974975|-0.08618520|-0.01287823|-0.02360257|-0.02567582|-0.01094918|0.00173475|0.00202164|0.00225500|-0.00266566|-0.00086618|-0.00163384|-0.00009863|-0.00022487|-0.00037081|0.00034052|0.00031418|0.00033507|-0.00001365|0.00003296|-0.00020944|0.00021612|-0.00002043|0.00119946|-0.00101215|-0.00107842|0.00023153|0.00010108|-0.00000366|-0.00003408|-0.00002118|-0.00001947|-0.00009254|0.00003027|0.00003144|0.00839028|0.00781794|0.00961047|0.14502139|-0.09223083|-0.16732911|-0.10646026|0.00228990|0.00093937|0.00205782|0.00025559|0.00060724|0.00001159|0.00072821|0.00037931|0.00000181|-0.00011086|-0.00009581|0.00003280|-0.00022989|0.00012856|0.00009180|-0.00029139|0.00020526|0.00010358|0.00015732|-0.00003438|0.00011699|0.00021805|0.00012044|0.00033229|0.00013997|0.00000162|-0.00002034|-0.00002445|0.00000547|-0.00001620|-0.00005073|0.00001841|0.00000864|-0.01883227|-0.02050249|-0.02158762|0.10019603|0.17658869|-0.08917475|-0.10670720|-0.16375770|0.00473901|0.00741245|0.00552152|0.00154956|-0.00061356|0.00101633|0.00074086|0.00007391|0.00091889|0.00006418|0.00004422|-0.00016091|-0.00002289|0.00015172|0.00005361|-0.00008501|0.00042143|-0.00000828|-0.00009247|-0.00014849|-0.00008201|-0.00032866|-0.00047970|-0.00004258|0.00006469|0.00001333|-0.00001346|-0.00000450|-0.00000176|-0.00000042|-0.00002507|0.00001200|0.00000776|0.00436481|0.00354174|0.00396544|0.09728832|0.11861642|0.17092135|-0.06509266|-0.01106950|0.03768374|-0.00567801|-0.01070499|0.03964259|0.00394125|0.00084710|-0.00104851|-0.00056616|0.00031550|0.00008197|0.00024172|0.00008027|0.00009189|0.00006321|0.00003432|-0.00031274|0.00065505|-0.00048855|-0.00033858|-0.00041739|0.00077621|-0.00061439|0.00202192|-0.00138483|0.00104916|0.00002631|0.00000909|0.00002104|0.00002151|-0.00000853|0.00004064|-0.00000920|0.00000233|-0.00001430|0.00192766|0.00222254|-0.01316095|0.00370086|0.00742650|-0.01846416|0.06792433|-0.01172285|-0.08192197|0.07526522|0.00019466|0.00009078|-0.00240336|0.00044977|0.00007897|0.00009738|-0.00059117|0.00017238|-0.00002501|0.00013344|-0.00001000|-0.00004279|0.00007143|-0.00014986|-0.00005891|-0.00011513|-0.00003150|0.00010141|0.00032748|0.00019535|0.00030811|-0.00015332|0.00036876|-0.00154542|-0.00000230|-0.00006673|0.00001728|-0.00000422|0.00001104|-0.00000149|0.00001149|0.00000528|-0.00001512|-0.00619954|-0.00770777|0.03427396|0.00542378|0.00829670|-0.02315240|0.01167771|0.08021170|0.04182857|0.07475064|-0.32183517|0.00003197|0.00146871|-0.00901877|-0.00057139|-0.00006768|0.00211829|-0.00027932|0.00015786|0.00020075|0.00022222|0.00007462|0.00000255|-0.00007164|-0.00000048|0.00007512|-0.00041856|-0.00001800|0.00026473|0.00013486|-0.00060287|0.00063345|-0.00049853|0.00042690|-0.00026587|-0.00007842|0.00000354|-0.00003396|-0.00000314|0.00000899|-0.00002025|0.00002171|-0.00001730|0.00001311|-0.00027500|0.00109917|-0.00183620|0.00328184|0.00614327|-0.01862687|-0.04586167|-0.08318595|0.34708605|-0.00550968|-0.01163794|0.03783212|-0.07087036|-0.00957678|0.03896307|-0.00170053|-0.00022864|-0.02656459|0.00489653|0.00081192|-0.00248212|-0.00149315|-0.00137629|0.00054454|0.00004130|-0.00049546|0.00097614|0.00204444|-0.00134307|0.00011307|0.00008612|0.00350835|0.00021920|0.00209159|0.00712890|-0.01573476|-0.00004153|-0.00005526|0.00013437|-0.00007308|-0.00000472|-0.00009410|0.00005548|0.00003176|0.00001448|0.00186887|0.00070248|-0.00071896|0.00136815|-0.00046738|-0.00087520|-0.00791907|0.00058734|0.00193992|0.07553530|0.00111830|0.00204901|-0.00223764|-0.00923182|-0.08648482|0.07467156|-0.00676341|0.00418169|-0.03338435|0.00682367|0.00010060|-0.00083488|-0.00169265|-0.00105094|0.00056643|0.00003295|0.00105321|0.00016171|-0.00127816|0.00223471|-0.00157796|-0.00024639|-0.00714524|-0.00173251|-0.00251012|-0.01293450|0.03906404|0.00011399|0.00033973|0.00005183|0.00001191|-0.00007711|0.00002986|-0.00009017|-0.00005919|0.00002965|-0.00064881|0.00049506|-0.00048006|-0.00010663|-0.00002925|0.00032374|0.00053061|0.00089976|-0.00038140|0.01275885|0.09426878|0.00170704|0.00313624|-0.00659089|0.03866806|0.07521415|-0.29574555|-0.01160658|-0.00761835|-0.02470602|0.00729560|-0.00140733|-0.00179168|-0.00268752|-0.00109706|0.00016168|-0.00125838|0.00045761|0.00138089|-0.00035860|0.00044860|-0.00003159|0.00069449|0.00079410|0.00167167|0.00024546|0.00311266|-0.00413616|0.00020395|0.00012870|-0.00035770|-0.00011972|0.00000416|-0.00018074|-0.00015137|0.00002920|0.00009988|0.00003829|-0.00069782|0.00018051|0.00080181|0.00038805|0.00045880|0.00150566|-0.00027132|0.00120026|-0.03446381|-0.07384554|0.32885885|0.00198376|-0.00194220|0.00019573|0.01362950|-0.02070064|0.00002314|-0.14927488|0.15491233|0.01181851|-0.01313249|0.04791982|0.01029516|0.00338535|-0.00227018|0.00190414|-0.00905988|-0.00272899|-0.00120341|-0.00012930|-0.00043797|-0.00029061|-0.00041270|-0.00001259|0.00004989|-0.00349552|-0.00375171|-0.00393410|0.00072909|0.00208096|0.00032357|0.00005246|0.00012503|-0.00008599|-0.00061429|-0.00010827|0.00018950|-0.00092075|0.00076497|-0.00062395|-0.00005170|0.00060277|0.00024239|-0.00024761|-0.00018015|0.00029701|-0.00024957|0.00014737|-0.00048067|0.15823096|0.00044293|0.00121174|0.00049168|0.01066181|-0.01549040|0.00365009|0.17368288|-0.42196443|-0.09659257|-0.00503610|0.00285523|0.00263116|-0.00207089|0.00147346|0.00066906|-0.00205576|0.00211271|0.00022487|-0.00053792|0.00064362|0.00011621|-0.00047396|-0.00007486|-0.00028206|-0.00347289|-0.00197422|-0.00375434|-0.00021593|0.00051847|-0.00038211|0.00008856|0.00000142|-0.00003979|-0.00013582|-0.00000446|0.00005236|-0.00090762|0.00029855|-0.00003435|0.00026767|0.00040298|0.00020879|-0.00043757|-0.00039778|0.00019253|0.00018174|0.00063185|0.00022406|-0.17013378|0.43067115|0.00094851|-0.00002032|0.00127603|0.01179222|-0.02056148|-0.00391751|-0.00138754|-0.07122605|-0.02777013|0.01116757|0.00125379|-0.00181364|-0.00318089|-0.00020273|-0.00500842|0.00002625|-0.00091545|0.00264527|0.00057589|-0.00011824|-0.00086025|0.00003179|0.00045718|0.00029242|-0.00276505|0.00013443|-0.00288828|0.00041585|-0.00048580|0.00116037|-0.00011365|-0.00001763|0.00002576|0.00006391|0.00008307|-0.00006444|-0.00087810|0.00036957|0.00023786|0.00007050|0.00024998|-0.00058308|0.00026519|0.00065519|-0.00025127|0.00022171|-0.00067149|-0.00135453|-0.01686736|0.09215708|0.03617848|0.00007085|0.00022521|0.00032607|0.00039649|-0.00050668|-0.00053876|0.00077880|-0.00105894|0.00081459|0.00398022|-0.03759103|-0.01508573|-0.18280291|0.23129280|0.07601614|-0.00067692|-0.00180462|-0.00222048|0.00009459|-0.00058753|-0.00001087|0.00002677|-0.00003249|-0.00003454|0.00030597|-0.00013389|0.00013317|-0.00018338|-0.00128597|-0.00023762|-0.00074703|0.00013668|0.00010595|0.00006065|0.00004649|0.00020991|-0.00003065|-0.00002208|-0.00002264|0.00016736|0.00004441|-0.00000630|-0.00002214|-0.00001147|-0.00002351|0.00007130|0.00009052|0.00017605|-0.00129273|-0.00064235|-0.00084581|0.17964677|0.00003824|0.00025999|0.00021037|-0.00036852|-0.00080416|-0.00045189|0.00297961|0.00378175|0.00567769|0.03208861|-0.03467331|-0.01060117|0.16252604|-0.30949978|-0.09720345|-0.00446030|-0.00159389|-0.00415045|-0.00004414|0.00007567|-0.00182897|0.00027530|0.00040056|0.00000187|0.00058880|-0.00032851|-0.00007081|-0.00127495|0.00005936|0.00011100|-0.00013383|-0.00009530|0.00021994|0.00019974|-0.00009657|0.00012590|-0.00006725|0.00000413|-0.00002551|0.00016076|0.00003980|-0.00000484|-0.00000852|-0.00004183|-0.00003276|0.00022728|0.00024345|0.00035456|-0.00258520|0.00032267|-0.00096222|-0.18967274|0.34160165|0.00007664|0.00012000|0.00014095|-0.00055725|0.00042307|-0.00196504|0.00235070|0.00413133|-0.00655234|0.01314981|-0.02052587|-0.00905502|0.04991313|-0.08850902|-0.05778169|-0.00693653|-0.00222165|0.01146618|0.00123236|-0.00257732|0.00127229|0.00037996|-0.00042751|-0.00038055|0.00051840|0.00083061|0.00043830|0.00102750|0.00015052|-0.00000841|0.00023493|0.00024376|-0.00003272|-0.00010872|0.00009454|-0.00016884|-0.00007104|0.00001002|0.00000544|0.00008272|-0.00001059|0.00004063|-0.00001186|0.00003138|-0.00000196|-0.00019062|-0.00015139|-0.00012824|-0.00200375|0.00011858|0.00194841|-0.05924056|0.10845499|0.06094396|0.00049951|-0.00007985|0.00000402|0.00171214|-0.00010673|-0.00514300|0.00047266|0.00017384|-0.00052522|-0.00272597|0.00238840|0.00238327|0.00010069|-0.00102493|-0.00060359|-0.00120671|-0.00724316|0.00521642|0.00201673|-0.03146799|0.00104692|-0.05052079|0.01327742|-0.00430572|-0.00122875|0.02709781|0.00481608|0.00172982|-0.00068712|0.00020516|-0.00038648|0.00016289|-0.00008490|-0.00039805|0.00012809|0.00009909|-0.00012064|0.00001810|0.00002465|-0.00006652|-0.00001814|-0.00006711|-0.00000861|-0.00002537|0.00013005|-0.00068728|0.00187319|-0.00021971|0.00012334|0.00004157|-0.00001342|-0.00002328|-0.00003059|-0.00020206|0.04874068|-0.00008514|-0.00003539|0.00003869|-0.00052914|0.00029571|-0.00043551|-0.00020866|-0.00065147|0.00095203|0.00078062|0.00099951|0.00023184|-0.00039749|-0.00041646|-0.00023339|0.00034056|-0.00028909|0.00080096|-0.00214387|0.00060607|0.00428511|0.00791364|-0.36383541|0.06472264|-0.00154718|-0.00081097|-0.00143404|0.00080064|-0.00016546|-0.00005787|-0.00013292|0.00005924|-0.00004197|-0.00033170|-0.00005235|-0.00000247|0.00004984|-0.00000346|-0.00000480|0.00005735|0.00000866|0.00006142|-0.00006728|-0.00003264|-0.00002858|0.00003138|-0.00007578|-0.00003584|-0.00001926|-0.00000242|0.00009315|0.00004741|0.00003886|-0.00001314|-0.00512759|0.37826238|0.00031637|0.00002494|0.00005488|0.00177592|-0.00104958|-0.00450095|-0.00022238|-0.00159708|0.00185318|0.00174606|-0.00021960|-0.00197973|-0.00000104|0.00052350|0.00041600|-0.00202776|0.00225650|-0.00060044|0.00591508|0.01634321|-0.00970404|-0.00284134|0.06102106|-0.07670228|0.00144758|0.02190261|-0.00417915|-0.00055935|0.00001318|0.00008596|0.00005309|-0.00004904|0.00002612|0.00020065|-0.00008389|-0.00000015|-0.00010897|0.00005174|0.00002483|0.00003665|-0.00001709|0.00001096|-0.00015708|-0.00004471|0.00010659|-0.00058060|0.00133148|-0.00008524|0.00005527|0.00007982|0.00008589|0.00001249|0.00002582|0.00007953|-0.00323742|-0.07553625|0.08121629|0.00000996|0.00005936|-0.00039024|-0.00006189|-0.00053491|0.00172920|-0.00026259|0.00043850|0.00072716|0.00042642|-0.00103517|0.00043671|-0.00019803|-0.00039716|-0.00054695|0.00431551|0.00189988|-0.00610230|-0.00410709|0.02543538|0.03518889|-0.05071917|0.00922611|0.01512185|0.00153423|-0.02363144|-0.01844404|0.00012532|0.00031977|0.00007412|0.00008734|-0.00002973|0.00001589|-0.00012802|-0.00021115|-0.00009485|-0.00001294|-0.00002663|0.00017480|0.00009879|-0.00001827|0.00013797|-0.00046050|0.00007379|0.00009405|0.00006711|-0.00037420|0.00021504|0.00007848|0.00014010|-0.00004167|0.00000376|-0.00014563|0.00018977|0.00126071|0.00080732|-0.00031081|0.04712482|0.00012677|-0.00031877|-0.00018178|0.00115520|-0.00044502|-0.00029218|0.00111695|-0.00381483|0.00256785|-0.00128299|-0.00036220|0.00123735|0.00029667|0.00017050|-0.00024911|-0.00024787|0.00173587|-0.00075021|0.00280771|0.00659650|0.01037986|0.01264295|-0.20134144|-0.16171352|-0.00354537|0.00653146|0.00691911|-0.00016224|-0.00007573|-0.00011592|0.00001786|0.00002773|0.00000249|0.00003248|0.00004702|0.00006004|0.00006372|-0.00001138|-0.00001829|-0.00006677|-0.00000341|-0.00001560|0.00010104|0.00005086|0.00004000|-0.00027363|0.00033701|-0.00034385|0.00002287|-0.00011926|0.00023316|0.00003034|-0.00011376|0.00008731|0.00211563|-0.01460484|-0.02453117|-0.01469636|0.20630615|-0.00002720|0.00064650|-0.00025371|-0.00117757|-0.00180897|-0.00034727|-0.00098859|-0.00111649|0.00238316|0.00348707|0.00055328|-0.00138329|-0.00053611|0.00033807|0.00011171|-0.00099211|0.00022228|0.00356843|-0.00334454|-0.00868947|-0.01904940|0.02044170|-0.15110833|-0.24312055|0.00685093|-0.01233925|-0.01550903|-0.00018083|0.00038242|-0.00002793|0.00000844|-0.00006434|-0.00000042|0.00004493|0.00005549|0.00002503|-0.00020684|0.00000449|0.00013319|0.00014385|-0.00002154|0.00009516|-0.00029653|0.00001086|0.00017159|0.00012861|-0.00008582|0.00027585|-0.00000717|0.00008868|0.00025414|0.00004687|0.00011361|0.00005153|-0.00126470|0.00614967|0.01205955|-0.02345335|0.16548958|0.26231277|0.00098243|-0.00073098|0.00037424|0.00783437|0.00723313|0.01033331|-0.00032254|0.00423441|-0.00013115|-0.00347093|0.00188622|0.00067380|0.00063715|-0.00090833|-0.00027111|-0.00403373|-0.00292712|-0.00483926|-0.01662293|-0.02217943|-0.02064094|-0.00381664|0.00713102|0.00057816|-0.08724103|-0.06695498|-0.06572713|0.00145948|-0.00122258|-0.00078485|-0.00014798|0.00018103|-0.00007687|-0.00024945|0.00036498|0.00011946|0.00013189|-0.00018380|-0.00013457|-0.00027941|0.00021747|-0.00004299|-0.00009895|0.00006369|0.00010370|0.00036097|-0.00062916|-0.00025203|0.00083584|0.00061506|0.00045325|0.00002611|-0.00027979|-0.00001892|0.00081390|-0.00008176|-0.00157619|0.00079957|-0.00019170|0.00125881|0.10244977|-0.00117114|0.00025161|-0.00018849|-0.01377750|-0.01315926|-0.02218353|0.00350331|-0.00683944|0.00019055|0.00227770|0.00002075|0.00027614|-0.00085227|-0.00005117|-0.00015771|-0.00156647|0.00023871|-0.00015026|0.00124274|0.00351241|0.00138803|0.00435969|0.01127540|0.00996943|-0.06889568|-0.21304131|-0.13425910|0.00044853|-0.00011387|-0.00020153|-0.00007325|0.00002187|-0.00003900|-0.00020600|0.00007815|0.00000273|0.00033041|0.00015710|0.00026059|0.00091936|0.00024975|0.00023979|0.00012055|0.00000338|-0.00000817|-0.00049767|0.00080394|0.00099326|-0.00160684|-0.00116715|-0.00051189|0.00013402|0.00016213|0.00006654|-0.00161269|0.00060753|-0.00048488|0.00249365|-0.00041181|0.00119131|0.07443745|0.21733091|-0.00000996|-0.00014634|-0.00025788|0.00171210|0.00447859|0.00365561|-0.00068275|0.00104332|0.00108836|-0.00044732|0.00031637|-0.00051308|0.00015951|-0.00013475|0.00011237|0.00373446|0.00037923|0.00118040|-0.00617428|0.01152129|0.00606555|-0.00705654|-0.02453260|-0.01515838|-0.07032275|-0.13807937|-0.18578770|0.00000911|0.00055137|0.00006749|0.00007857|-0.00006862|-0.00004177|0.00008995|-0.00002238|-0.00000969|0.00016445|0.00014496|0.00005076|0.00040097|-0.00003026|0.00027359|-0.00006269|-0.00003458|-0.00000356|0.00055381|-0.00073202|0.00069804|0.00019831|0.00021933|0.00052563|-0.00001672|-0.00000328|-0.00006928|0.00190834|0.00049079|0.00169053|-0.00481059|0.00121664|-0.00169724|0.08055916|0.14358808|0.18807316|-0.00000168|0.00007118|0.00007081|-0.00015028|-0.00043213|-0.00015025|0.00130323|0.00073852|0.00030870|-0.00258752|-0.00402104|-0.00099721|-0.00120117|0.00267793|0.00105303|-0.00115595|0.00210551|0.00159617|-0.00039442|-0.00011652|-0.00013563|-0.00002997|0.00006184|-0.00004002|-0.00001895|-0.00003247|0.00001718|0.00260423|-0.01676104|-0.01155740|-0.05923681|-0.00628180|-0.00390871|-0.00145732|-0.00007684|0.00127317|-0.00001909|-0.00000112|-0.00000571|0.00004958|0.00001419|0.00000610|-0.00000892|-0.00000780|-0.00000913|0.00006096|0.00005646|0.00010192|-0.00008537|0.00001706|0.00009554|0.00033717|-0.00003058|0.00025071|0.00004660|0.00003976|-0.00000982|-0.00000210|-0.00003201|0.00002976|0.00000790|0.00004929|-0.00001294|0.05772351|0.00000584|0.00006223|0.00002673|-0.00008655|-0.00025036|-0.00004864|0.00070233|0.00050346|0.00029612|-0.00141629|-0.00248027|-0.00119149|0.00403963|-0.00026457|-0.00219420|-0.00075075|0.00100046|0.00061148|-0.00053037|-0.00015420|0.00016070|0.00003738|-0.00001304|-0.00009935|-0.00001111|0.00008193|0.00006875|0.00150233|-0.02453437|-0.00976770|-0.00919437|-0.28907227|-0.12916251|-0.00302700|0.00004858|0.00128534|-0.00002029|0.00000749|-0.00000148|0.00002537|0.00000373|0.00000260|-0.00000106|-0.00000741|-0.00000471|0.00002144|0.00004920|0.00004685|-0.00009768|0.00000574|0.00000865|0.00090213|0.00017945|-0.00026056|0.00001760|0.00002153|0.00000592|-0.00000064|-0.00001806|0.00001957|-0.00000801|0.00002279|-0.00002266|0.00745464|0.31371879|-0.00000375|-0.00004435|-0.00002277|0.00003249|0.00012082|0.00007495|-0.00046125|-0.00038300|-0.00005055|0.00073695|0.00126112|0.00033008|0.00247462|-0.00090781|-0.00251405|0.00041044|-0.00163957|0.00005580|0.00020300|0.00020843|-0.00012121|0.00000403|0.00002212|0.00005415|0.00005272|-0.00008251|-0.00005820|-0.00229552|0.02247407|0.01398181|-0.00542781|-0.13064272|-0.12921362|0.00195650|0.00103150|-0.00192740|0.00000529|0.00000261|0.00000244|-0.00001587|-0.00000082|-0.00000264|0.00000054|0.00000543|0.00000216|0.00000016|-0.00002754|-0.00002829|0.00003422|-0.00002985|-0.00002006|-0.00008652|-0.00003114|-0.00012096|-0.00002257|-0.00001758|-0.00000065|0.00000402|0.00000956|-0.00000260|-0.00000375|-0.00000714|0.00001268|0.00246061|0.14025759|0.13811254|0.00002286|0.00000060|-0.00000779|0.00011286|0.00009216|0.00005034|-0.00043542|0.00012526|0.00003864|0.00066906|-0.00123189|-0.00091592|0.00017554|0.00051053|0.00048167|-0.00130813|-0.00277801|0.00275630|-0.00058472|0.00026612|0.00084329|-0.00013140|-0.00020908|-0.00007231|0.00015636|-0.00003727|0.00008474|-0.01720070|0.00843455|-0.00021311|-0.31083508|0.08427547|0.04677968|0.00055673|0.00103425|-0.00153049|-0.00001408|0.00001841|0.00000391|-0.00001902|-0.00001443|-0.00000720|-0.00000075|-0.00000253|0.00000725|-0.00000044|0.00000102|-0.00001316|-0.00001049|0.00000361|-0.00005306|-0.00016275|0.00001340|-0.00004509|-0.00010700|-0.00005205|0.00003523|0.00002037|0.00000168|0.00000714|-0.00005686|-0.00002602|-0.00000414|0.00378279|0.00028452|0.00017565|0.33700207|0.00000454|0.00004535|0.00002244|-0.00002764|-0.00021115|0.00000624|0.00053570|0.00049609|0.00018285|-0.00096114|-0.00300348|-0.00112331|0.00194566|0.00104878|-0.00114394|-0.00395098|-0.00307501|0.00316203|-0.00104886|0.00010388|0.00055317|-0.00017798|-0.00018277|-0.00002915|0.00004441|-0.00017157|0.00010738|-0.02607917|0.00937183|0.00308532|0.09056312|-0.08888306|-0.01513715|-0.00041447|-0.00041171|-0.00020348|-0.00001689|0.00000663|-0.00000102|0.00002095|0.00000316|0.00000251|0.00000235|-0.00000605|-0.00000802|0.00001682|0.00004676|0.00002162|-0.00008586|0.00000970|0.00002149|0.00030233|0.00011247|-0.00009457|-0.00008050|-0.00000806|0.00001534|0.00002405|-0.00001783|0.00002393|-0.00004778|0.00000743|0.00001119|0.03147781|-0.00684600|-0.00204084|-0.09512960|0.09406429|-0.00000008|-0.00000526|0.00003756|-0.00005115|-0.00003515|-0.00013659|0.00038760|0.00005804|0.00015176|-0.00058450|-0.00048612|-0.00026009|0.00092578|-0.00049316|-0.00080859|0.00054849|0.00332025|0.00014681|0.00092913|-0.00013129|-0.00023364|0.00007544|0.00002970|0.00005459|-0.00001949|0.00016310|-0.00006049|0.01849561|-0.00970046|-0.00281489|0.04362128|-0.01374977|-0.06870358|-0.00020375|0.00004458|0.00015959|0.00000980|-0.00001105|-0.00000409|0.00000848|0.00000701|0.00000072|-0.00001313|0.00000067|0.00000390|0.00003327|-0.00000669|0.00006499|-0.00000958|-0.00000472|-0.00001450|0.00038669|0.00005467|-0.00006888|0.00003890|0.00001781|-0.00000406|-0.00000783|-0.00000107|-0.00001040|0.00005100|0.00001887|-0.00001498|0.01799532|-0.00386172|-0.00195738|-0.05093349|0.01302923|0.06515915|-0.00001312|0.00000884|-0.00000745|-0.00004752|-0.00008053|0.00001586|0.00019919|0.00000610|-0.00000203|-0.00018311|0.00041365|0.00048403|0.00006980|-0.00006998|-0.00023977|0.00171635|0.00009433|-0.00021271|0.00023928|-0.00012178|-0.00006275|0.00009297|0.00007701|-0.00003559|-0.00001823|0.00000269|-0.00003835|0.00908876|-0.00176958|0.01943457|-0.11978615|0.01809830|-0.11370106|-0.00148876|-0.00183350|0.00059718|0.00000304|-0.00000629|-0.00000215|0.00001152|0.00000676|0.00000364|0.00000578|-0.00000092|-0.00000484|-0.00000179|0.00001856|-0.00001396|-0.00000559|0.00000251|0.00001873|0.00002319|-0.00000788|-0.00000658|0.00003552|0.00002858|-0.00001812|0.00000216|-0.00000266|0.00000029|0.00001130|0.00001331|-0.00000367|-0.00028511|-0.00011497|0.00012660|-0.01367484|0.00345848|-0.03133058|0.12324270|-0.00000669|0.00002021|-0.00001409|-0.00000473|-0.00001038|0.00003731|0.00005932|0.00008607|0.00002205|-0.00007880|0.00023682|0.00005625|0.00027547|-0.00015757|0.00033230|0.00152305|0.00106568|-0.00210333|-0.00006306|-0.00003609|-0.00020954|0.00016663|0.00001859|-0.00010976|-0.00011390|0.00007111|0.00004950|0.01438681|-0.00585185|0.02702789|0.01637642|-0.06125318|0.03241089|-0.00298025|-0.00241664|0.00162839|0.00000081|-0.00000295|-0.00000012|0.00000033|-0.00000204|0.00000081|0.00000732|-0.00000199|-0.00000434|-0.00001812|0.00003319|-0.00002078|-0.00001797|0.00000770|-0.00000559|0.00006441|0.00001274|-0.00002031|0.00004759|0.00002559|-0.00000971|0.00002285|-0.00000389|-0.00001754|-0.00002292|-0.00001134|-0.00000650|-0.01697298|0.00824918|-0.02965307|0.00460261|-0.00226160|0.01116310|-0.01723042|0.06338179|0.00001972|-0.00003447|0.00004684|0.00005501|0.00011497|-0.00022260|0.00013435|-0.00001704|0.00012719|0.00033762|-0.00043845|-0.00102159|0.00052911|-0.00027682|0.00043959|-0.00069681|-0.00057197|0.00259338|0.00040488|0.00012582|0.00001573|-0.00016074|-0.00009794|0.00013706|0.00011696|-0.00002717|-0.00005322|-0.01126651|0.00388403|-0.01744950|-0.11145090|0.03317513|-0.27700822|0.00301022|0.00174717|-0.00106822|0.00001531|-0.00000780|-0.00000502|-0.00000483|0.00000089|-0.00000402|-0.00002532|-0.00000003|0.00001851|0.00005121|-0.00003389|0.00010375|0.00002831|0.00001925|-0.00007451|0.00018547|0.00001699|-0.00005508|-0.00005613|-0.00003753|0.00002129|-0.00002601|0.00001126|0.00000537|0.00001996|0.00000047|0.00001677|-0.00919013|0.00292327|-0.01547373|0.00273399|-0.00094507|0.00917910|0.12561111|-0.04025695|0.29940004|0.00001322|0.00005589|-0.00002275|-0.00000406|-0.00005424|0.00012885|-0.00015783|0.00046922|0.00014177|-0.00085877|-0.00149462|-0.00087100|0.00032278|0.00051167|0.00018769|0.00079792|0.00379426|0.00118479|-0.00019524|0.00032773|0.00018950|0.00032119|-0.00003014|-0.00020940|0.00012629|0.00032316|0.00001674|-0.01201348|-0.00189124|0.00394646|-0.00077281|-0.00211211|-0.00004778|-0.37114201|0.04523026|0.04409068|-0.00003306|0.00002080|0.00000775|-0.00000962|-0.00001415|-0.00000642|0.00000674|-0.00000408|0.00000304|-0.00001242|0.00002304|-0.00003263|-0.00009633|-0.00002179|-0.00000163|-0.00004419|0.00002033|-0.00001172|-0.00000279|-0.00000742|0.00003197|0.00000314|-0.00001494|0.00000377|-0.00005839|-0.00001497|-0.00004820|0.00029254|-0.00021685|0.00008320|0.00157267|-0.00030974|-0.00014764|0.00044502|0.00007131|-0.00017298|0.39183357|-0.00001384|0.00007671|0.00000924|-0.00034786|-0.00017402|-0.00006640|0.00041428|-0.00012567|-0.00047011|-0.00047528|0.00245331|0.00189980|-0.00052722|-0.00077661|-0.00023584|0.00602769|-0.00366268|0.00659663|-0.00131085|-0.00048663|-0.00020153|0.00036689|-0.00003942|-0.00035614|-0.00005027|0.00063066|0.00002529|0.02784194|0.00277708|-0.00589149|-0.00019685|-0.00206969|-0.00391044|0.03839889|-0.06637700|0.00969604|-0.00002157|-0.00000115|-0.00000040|0.00002050|0.00000453|0.00000276|0.00000674|-0.00000592|-0.00000242|-0.00002082|0.00003488|0.00002519|0.00005425|0.00004333|-0.00005989|0.00001339|-0.00003204|0.00002293|0.00014144|0.00006579|-0.00001039|0.00002563|-0.00001405|-0.00001497|0.00006809|0.00004368|-0.00006497|0.00007751|-0.00061220|0.00050562|0.00004040|-0.00071873|0.00088690|-0.00010395|0.00070739|-0.00043472|-0.04778610|0.06050587|-0.00002397|-0.00000650|-0.00001304|-0.00003799|0.00013117|0.00010131|-0.00005689|0.00063455|-0.00001557|-0.00271982|0.00076147|0.00040871|-0.00020489|-0.00050204|-0.00015991|0.00409265|0.00661146|0.00881640|0.00019670|-0.00027366|0.00014956|-0.00021546|0.00001272|0.00015446|0.00012358|0.00016916|0.00000711|-0.01489779|0.00298862|0.00349980|-0.00282095|-0.00379671|-0.00565767|0.05023220|0.00629891|-0.05289745|0.00001175|-0.00001497|0.00000012|-0.00000663|-0.00000082|0.00000083|0.00000281|0.00000371|-0.00000044|-0.00001804|-0.00002962|0.00000652|-0.00019747|0.00000000|-0.00002476|0.00000430|0.00001061|-0.00000108|-0.00004262|-0.00006148|0.00002535|-0.00004836|0.00001795|0.00000957|0.00004434|0.00000804|-0.00000248|0.00011263|-0.00099943|0.00077466|0.00029871|0.00060881|0.00011141|0.00009779|0.00113333|-0.00042978|-0.04948750|-0.01012085|0.04387391|-0.00001404|-0.00002429|0.00000568|-0.00003281|0.00007134|-0.00002849|-0.00002577|-0.00019384|-0.00006664|0.00053507|0.00044687|0.00042016|-0.00014938|-0.00020237|-0.00014933|0.00058461|-0.00183720|-0.00132095|-0.00286273|0.00163723|-0.00123199|-0.00074248|0.00022838|0.00001423|-0.00000552|0.00009406|0.00000118|0.01328489|0.01315562|-0.00894060|-0.00151614|0.00277528|0.00119443|-0.15016086|-0.11368296|0.08802423|0.00001640|-0.00001772|-0.00000192|-0.00000350|0.00000562|0.00000120|-0.00000637|0.00000627|-0.00000107|0.00001080|-0.00002894|0.00000478|0.00003043|-0.00000313|0.00000128|-0.00000400|-0.00000819|-0.00000193|-0.00006942|-0.00016563|0.00002452|-0.00000537|-0.00001535|0.00002337|0.00004817|-0.00002951|0.00008381|0.00042615|0.00048272|-0.00044399|0.00047034|-0.00006563|-0.00020556|0.00031764|-0.00009507|-0.00020285|-0.01033409|-0.02264306|0.01556091|0.15020798|0.00001380|0.00007760|-0.00000800|-0.00017366|-0.00021845|0.00003700|0.00009999|-0.00009222|-0.00000411|0.00075133|-0.00065060|0.00006223|0.00020310|0.00039004|-0.00025737|-0.00196707|-0.00053934|-0.00448975|-0.00061048|0.00045250|-0.00009627|0.00073467|0.00036537|-0.00056601|-0.00008096|0.00044159|-0.00007860|-0.02065884|-0.01445917|0.01647171|0.00565462|0.00161410|0.00582973|-0.10613925|-0.22042984|0.12387855|-0.00003839|0.00001974|0.00000826|0.00000420|-0.00000721|-0.00000609|0.00001065|-0.00000350|-0.00000355|-0.00001247|0.00005400|-0.00004114|0.00004890|-0.00001535|0.00004206|0.00001964|-0.00001552|0.00002634|0.00002107|-0.00000707|0.00003828|0.00013488|-0.00012680|-0.00002299|-0.00006423|0.00000779|-0.00008282|-0.00007538|0.00029821|-0.00039093|-0.00022372|0.00048066|-0.00030746|-0.00088663|-0.00190653|0.00116061|0.00312472|0.00775259|-0.00358445|0.12010952|0.22651742|0.00000627|-0.00015195|0.00001615|0.00038666|0.00024958|-0.00005868|-0.00035137|-0.00035350|0.00005075|0.00144660|0.00005392|0.00015317|-0.00024223|-0.00006542|-0.00018433|-0.00086222|-0.00276676|-0.00620027|0.00137602|0.00048024|0.00023933|-0.00065977|0.00003617|0.00043787|-0.00026439|-0.00101767|0.00007878|0.00710180|0.00941261|0.00035979|0.00128306|0.00702383|0.00971021|0.08302330|0.12222482|-0.12843899|0.00005902|-0.00001957|-0.00000770|-0.00002445|0.00000259|-0.00000360|-0.00000333|0.00001051|-0.00000273|-0.00000287|-0.00001750|-0.00002506|0.00004892|-0.00002376|0.00001510|-0.00004765|-0.00001154|0.00000287|-0.00008471|0.00009635|-0.00000024|0.00016753|-0.00005946|-0.00005519|-0.00006943|-0.00000212|0.00004511|0.00064532|0.00190086|-0.00188715|-0.00050081|-0.00012701|0.00002257|-0.00071022|-0.00143019|0.00076088|0.00104344|0.00217015|0.00126247|-0.09276449|-0.13761520|0.12370888| 166.12185 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 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 35.7760 67.5030 119.1808 164.3816 171.0586 231.9641 257.0954 292.3245 327.1235 352.1444 410.1151 452.3071 493.2759 506.8879 534.6909 589.5547 611.2813 672.6415 724.5907 763.5777 782.5394 825.6725 845.7146 858.5921 983.9675 1011.2862 1018.0568 1026.0364 1056.0591 1113.8255 1121.4484 1133.8557 1180.4188 1187.2152 1209.5934 1229.9065 1249.0458 1258.0974 1292.0374 1302.7270 1340.6784 1417.1917 1458.0498 1491.9364 1498.7664 1546.9316 1555.2814 1567.4429 1583.6990 1596.9286 1618.9754 1621.4652 1643.5227 1645.1052 1651.1926 1667.7400 1874.0172 1885.7954 3164.6978 3207.4319 3213.0608 3268.9300 3277.5596 3289.2252 3317.8611 3326.4123 3335.0508 3359.4697 3414.8959 3441.4586 3749.8050 3854.5445 2.4409 3.5684 3.4727 1.4145 3.7508 2.5000 1.1861 2.5446 2.7480 3.5453 3.1863 1.6070 2.8693 2.4695 2.6058 2.7831 3.8282 3.4145 3.3641 2.6660 1.9677 1.7661 2.0242 1.6200 2.4893 2.6038 1.5730 1.7362 1.8416 1.7716 1.7848 1.8644 1.4898 1.3528 1.9933 1.6722 1.8134 1.8332 1.5066 1.6861 1.8798 2.5085 3.2775 1.8130 1.3821 1.6261 1.3027 1.2913 1.3276 2.4785 1.3397 1.0760 1.0782 1.1665 1.0527 1.5317 5.7127 5.1422 1.0842 1.0380 1.0451 1.1012 1.0980 1.1043 1.0682 1.0788 1.0976 1.0639 1.1185 1.1167 1.0761 1.0776 0.0018 0.0096 0.0291 0.0225 0.0647 0.0793 0.0462 0.1281 0.1733 0.2590 0.3158 0.1937 0.4113 0.3738 0.4389 0.5699 0.8428 0.9102 1.0407 0.9158 0.7099 0.7094 0.8530 0.7036 1.4200 1.5690 0.9606 1.0769 1.2101 1.2950 1.3225 1.4122 1.2231 1.1234 1.7183 1.4904 1.6669 1.7096 1.4818 1.6860 1.9908 2.9683 4.1052 2.3776 1.8292 2.2927 1.8565 1.8692 1.9618 3.7240 2.0689 1.6667 1.7160 1.8600 1.6910 2.5100 11.8205 10.7742 6.3978 6.2913 6.3571 6.9330 6.9494 7.0392 6.9281 7.0331 7.1931 7.0746 7.6848 7.7925 8.9151 9.4334 0.6404 2.0186 2.3969 1.4330 5.5179 1.2360 1.3136 7.0790 2.0775 2.9264 1.0597 59.1589 19.2603 12.0382 7.4742 2.5677 16.9317 26.2785 19.4053 0.4140 24.5623 3.9359 11.3052 125.4164 4.7441 11.6625 19.2449 48.1011 11.3382 2.5627 21.9477 0.4362 4.6048 16.4018 1.7214 5.8438 28.5879 54.0448 29.3943 30.3326 13.2059 38.4539 28.9746 77.6120 77.6857 10.2766 4.8858 4.7086 39.5095 181.5001 16.0769 20.3263 4.6650 9.4691 10.2324 10.4880 468.7117 110.7313 51.6649 31.9439 36.8069 32.4837 36.9597 28.3248 24.9366 32.4198 6.3448 6.7112 9.5580 17.1063 2.6078 22.1413 3.2802 0.6401 2.4691 1.4903 0.4965 1.3014 0.5787 2.1432 1.2005 3.7303 2.5102 2.0144 0.6668 1.5122 1.8740 2.2771 5.8307 1.1638 10.5986 13.6704 4.6674 4.0184 4.6681 6.5496 6.5062 4.6209 5.8191 2.9993 3.1411 1.5791 4.9092 7.4954 1.8502 2.7918 7.0511 2.1744 2.4527 3.5716 5.2653 6.9720 3.6749 10.5281 1.7458 11.5798 4.3848 7.6597 9.7036 1.6651 23.6097 9.1045 8.2563 16.9134 13.7276 6.7743 8.5497 9.5282 25.6221 39.6463 81.6740 112.3857 104.2277 69.0099 71.7198 46.2640 55.3165 167.4414 46.6980 102.8691 44.5326 58.7121 148.0261 67.4045 0.7339 0.7212 0.7247 0.6922 0.6130 0.6624 0.7383 0.7332 0.7498 0.3556 0.5733 0.5547 0.5405 0.1048 0.6828 0.7124 0.7092 0.5051 0.1356 0.2910 0.2675 0.7495 0.4749 0.4336 0.3052 0.7489 0.7138 0.6806 0.4711 0.4715 0.7385 0.5255 0.3347 0.2355 0.6775 0.3019 0.3956 0.6791 0.7498 0.2250 0.6776 0.2092 0.4637 0.7477 0.7236 0.3104 0.6481 0.7403 0.5436 0.6019 0.5228 0.7129 0.7035 0.6790 0.7465 0.3738 0.1263 0.2977 0.3613 0.0201 0.0588 0.7404 0.6333 0.7329 0.7175 0.1274 0.6042 0.1676 0.7196 0.7453 0.3258 0.2548 0.8465 0.8380 0.8404 0.8181 0.7601 0.7969 0.8495 0.8461 0.8570 0.5247 0.7288 0.7136 0.7017 0.1896 0.8115 0.8320 0.8299 0.6712 0.2388 0.4508 0.4221 0.8568 0.6440 0.6050 0.4676 0.8564 0.8330 0.8100 0.6405 0.6408 0.8496 0.6890 0.5015 0.3812 0.8077 0.4638 0.5670 0.8089 0.8570 0.3673 0.8078 0.3460 0.6336 0.8556 0.8397 0.4738 0.7865 0.8508 0.7043 0.7515 0.6866 0.8324 0.8259 0.8088 0.8549 0.5442 0.2243 0.4588 0.5308 0.0395 0.1111 0.8508 0.7755 0.8458 0.8355 0.2260 0.7533 0.2871 0.8370 0.8541 0.4915 0.4062 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 6 6 7 6 7 7 7 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 14.00307 12.00000 14.00307 14.00307 14.00307 12.00000 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 1.00783 1020.67124 2401.13933 2988.92814 0.99998 -0.00364 -0.00421 0.00352 0.99960 -0.02821 0.00432 0.02819 0.99959 1 0.08486 0.03607 0.02898 1.76819 0.75162 0.60381 51.47 97.12 171.47 236.51 246.12 333.74 369.90 420.59 470.66 506.66 590.06 650.77 709.71 729.30 769.30 848.24 879.50 967.78 1042.52 1098.62 1125.90 1187.96 1216.79 1235.32 1415.71 1455.02 1464.76 1476.24 1519.43 1602.55 1613.51 1631.37 1698.36 1708.14 1740.34 1769.56 1797.10 1810.12 1858.95 1874.33 1928.94 2039.02 2097.81 2146.56 2156.39 2225.69 2237.70 2255.20 2278.59 2297.62 2329.34 2332.93 2364.66 2366.94 2375.70 2399.51 2696.29 2713.24 4553.29 4614.78 4622.88 4703.26 4715.68 4732.46 4773.66 4785.97 4798.39 4833.53 4913.27 4951.49 5395.13 5545.83 0.240002 0.251144 0.252088 0.202698 -528.538386 -528.527244 -528.526300 -528.575690 1.656549D-04 MUNgauss RevisionA2.1 retrievium 17-Nov-2022 GDB_13 Smiles: CC1NC(=N)N(N2CC12)C(C)=C RHF 6-31G(d) (6D,10F) C1 166.121847 |X|Y|Z| 22.762102 36.439801 13.924214 22.604055 7 6 7 4 3 |36.858105| |12.502660|36.858105| |7.827864|13.145034|53.358707| |5.086919|7.701555|18.765952|36.858105| |3.986500|5.236668|11.042257|15.081843|53.358707| |4.542922|6.960407|11.194939|13.751570|11.234764|53.358707| |5.021303|7.616545|9.569156|7.853073|7.306919|18.452229|53.358707| |5.613345|7.359521|9.299179|6.455477|6.417209|10.463985|17.886891|36.858105| |7.554763|12.614947|10.860654|6.669862|6.303513|10.730779|18.092241|12.847457|36.858105| |3.390243|4.593303|7.090132|7.766216|9.308116|18.151037|10.901678|5.413076|5.180077|36.858105| |2.969257|3.873864|5.977343|6.201012|8.697656|10.407804|7.086575|3.897732|3.987943|12.639334|36.858105| |2.975747|3.805867|5.616572|5.431547|6.758441|10.838972|9.386033|5.172962|4.542171|14.441873|7.677124|36.858105| |17.537818|8.802475|9.567993|4.688246|5.279338|5.444096|5.609148|4.392349|5.499412|3.087592|2.811645|2.688329|0.500000| |17.562718|8.830617|7.680149|4.147089|4.544791|5.393488|6.199600|4.989047|6.867657|3.074253|2.716423|2.757402|0.302120|0.500000| |17.572666|8.823824|9.653527|4.801839|5.248886|5.815697|6.530344|5.985670|6.841789|3.247361|2.793610|2.927167|0.300448|0.300341|0.500000| |8.897340|17.474760|12.345129|6.693819|6.601986|8.686023|8.870954|5.565872|9.032887|4.469484|3.999654|3.630429|0.212934|0.214127|0.173651|0.500000| |7.342125|9.130479|26.036777|9.511699|10.270199|8.132371|6.999470|5.152428|5.785442|4.298459|3.880381|3.490653|0.214370|0.145926|0.186481|0.205693|0.500000| |4.027404|4.969556|10.635365|10.134015|25.856828|8.201043|6.044719|4.144343|4.143665|5.039474|4.919456|3.944227|0.113571|0.092323|0.108745|0.127883|0.240398|0.500000| |4.586513|5.398378|6.720680|4.793493|5.174038|7.789754|12.174763|17.710252|8.555752|4.618794|3.416228|4.808601|0.102366|0.120512|0.137941|0.122648|0.111415|0.094364|0.500000| |5.606953|6.901301|10.440911|7.059081|7.193511|9.643222|11.905173|17.742962|8.653934|5.082199|3.767627|4.772761|0.126005|0.130341|0.178138|0.141511|0.163338|0.131514|0.291322|0.500000| |6.624581|8.688657|7.710815|4.935160|5.063579|7.948751|12.216738|8.558169|17.673720|4.357304|3.511632|3.989750|0.137189|0.195826|0.163169|0.214716|0.125900|0.094257|0.206651|0.170207|0.500000| |2.907990|3.713505|6.056389|6.411532|10.594031|9.012894|6.145153|3.608600|3.640532|8.853023|17.652302|6.036997|0.078081|0.072760|0.076582|0.105108|0.113403|0.164407|0.087259|0.101082|0.088059|0.500000| |2.566247|3.222287|4.815144|4.643234|6.557959|7.652855|5.904126|3.380757|3.391001|8.941618|17.586557|7.362184|0.067610|0.066362|0.067767|0.092137|0.088474|0.109172|0.085464|0.090270|0.085590|0.300308|0.500000| |3.096209|4.088861|6.031467|5.878208|7.736632|9.658055|6.920148|3.744916|4.095449|8.911949|17.537823|5.923098|0.082009|0.079513|0.078806|0.123835|0.109359|0.128160|0.090858|0.098537|0.102270|0.301839|0.300660|0.500000| |2.556760|3.159960|4.617112|4.300535|5.666895|7.693955|6.830391|4.024289|3.644971|9.168370|7.071507|17.740882|0.065225|0.066628|0.069817|0.085473|0.082459|0.095011|0.107373|0.105026|0.092187|0.156611|0.225466|0.151141|0.500000| |3.074978|3.863823|5.560702|5.056731|6.060854|9.777311|10.281044|6.134902|4.889990|9.070832|5.485818|17.766005|0.075695|0.079579|0.085823|0.099128|0.095131|0.101392|0.167987|0.152355|0.119537|0.129248|0.144713|0.128387|0.288767|0.500000| 528.210380 -2740.365711 1003.534009 -73.133534 -1281.754857 752.976464 -528.778393 2.001075 4038000000000009 41A0980431FFFFFD 4137999F9111110D 40A2280000000000 BBD79CA100000000 41164F4400000000