Version2.5 2022-11-17T12:01:00Z 10.1021/ja902302h Gaussian16 RevisionB.01 SBUNGAY 12-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)NN2CCC2C=C1 RHF 6-31G(d) (6D,7F) CC1NC(=N)NN2CCC2C=C1 C1[X(C8H14N4)] 72 C1 208 CC1NC(=N)NN2CCC2C=C1 CC1NC(=N)NN2C(C=C1)CC2 CC1NC(=N)NN2CCC2C=C1 InChIKey=KKXDKJCHSPDRNJ-UHFFFAOYSA-N InChI=1S/C8H14N4/c1-6-2-3-7-4-5-12(7)11-8(9)10-6/h2-3,6-7H,4-5H2,1H3,(H3,9,10,11) InChI=1/C8H14N4/c1-6-2-3-7-4-5-12(7)11-8(9)10-6/h2-3,6-7H,4-5H2,1H3,(H3,9,10,11)/f/h9-11H CC1NC(=N)NN2CCC2C=C1 C01[X(C8H14N4)] 72 C1 208 CC1NC(=N)NN2CCC2C=C1 C[C@@H]1CC[C@@H]2CC[N@]2N[C@H](N1)N C[C@@H]1CC[C@@H]2CCN2N[C@@H](N)N1 InChIKey=JWMPFXHBXLTLDL-PRJMDXOYSA-N InChI=1S/C8H18N4/c1-6-2-3-7-4-5-12(7)11-8(9)10-6/h6-8,10-11H,2-5,9H2,1H3/t6-,7-,8+/m1/s1 InChI=1/C8H18N4/c1-6-2-3-7-4-5-12(7)11-8(9)10-6/h6-8,10-11H,2-5,9H2,1H3/t6-,7-,8+/m1/s1 5.282199831736D+02 -2.746791861347D+03 756.0076652614 -528.7333157 1-A 1940.4806 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| -15.58005 -15.57423 -15.56836 -15.52307 -11.32687 -11.28072 -11.26464 -11.24990 -11.23319 -11.23059 -11.22895 -11.22389 -1.33394 -1.26073 -1.17695 -1.13767 -1.07683 -1.01081 -0.94348 -0.92280 -0.86367 -0.78997 -0.78078 -0.76039 -0.71886 -0.68666 -0.66803 -0.63946 -0.61991 -0.60978 -0.60344 -0.59481 -0.56209 -0.53450 -0.52952 -0.51816 -0.51497 -0.49243 -0.47043 -0.45648 -0.42948 -0.39058 -0.36661 -0.35708 -0.34935 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.15192 0.19331 0.22086 0.23387 0.25247 0.26413 0.27485 0.28385 0.29846 0.30187 0.31694 0.32488 0.32726 0.33469 0.35561 0.36378 0.37394 0.37964 0.38315 0.39764 0.43224 0.43506 0.46476 0.50576 0.53562 0.54867 0.55269 0.58696 0.65527 0.67579 0.71909 0.72794 0.74569 0.76224 0.77490 0.79151 0.81668 0.82289 0.83070 0.83982 0.84881 0.86203 0.88641 0.89386 0.92051 0.93007 0.94103 0.97356 0.98727 1.00035 1.02565 1.03764 1.04483 1.06297 1.07271 1.08216 1.10620 1.12599 1.12875 1.14198 1.15360 1.15619 1.17134 1.17460 1.18020 1.18441 1.21287 1.21327 1.21617 1.22691 1.23254 1.25182 1.26767 1.27623 1.31209 1.32596 1.33327 1.36670 1.42251 1.44216 1.47299 1.52444 1.52801 1.58737 1.60076 1.64098 1.67634 1.72260 1.75780 1.79578 1.81493 1.86378 1.87008 1.90090 1.95747 1.96289 1.97495 2.01199 2.05803 2.06571 2.08301 2.11580 2.13346 2.14813 2.18027 2.20520 2.21782 2.24777 2.25729 2.28871 2.32043 2.33326 2.36563 2.38925 2.40105 2.42032 2.44433 2.45791 2.48425 2.52255 2.52923 2.56492 2.59373 2.60320 2.63092 2.64955 2.67722 2.69837 2.72252 2.75453 2.76553 2.78359 2.81579 2.82937 2.87729 2.88465 2.92463 2.94813 2.99763 3.02312 3.03196 3.06221 3.12382 3.15834 3.19550 3.24939 3.27906 3.30548 3.36173 3.39053 3.41176 4.27302 4.40417 4.43730 4.59168 4.64331 4.68923 4.74060 4.79273 4.85587 4.94633 5.06673 5.14454 13.64014 -1.2209 -2.8021 -0.9628 3.2045 |XX|YY|ZZ|XY|XZ|YZ| -59.9547 -82.6899 -72.1551 -2.9948 -1.9627 -2.0672 |XX|YY|ZZ|XY|XZ|YZ| 11.6452 -11.0900 -0.5552 -2.9948 -1.9627 -2.0672 |XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| -12.9741 -7.8049 -3.4245 -6.4791 10.9738 3.2588 2.6058 -3.1851 -3.5722 -1.8372 |XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY| -1519.6875 -795.7123 -276.8209 -30.6963 1.3460 -11.7814 -18.3141 -5.9214 -2.3362 -360.8738 -316.8551 -170.3754 12.7646 -0.4592 -2.4112 0 |0.62359514|-0.01753112|0.64618419|0.04550925|0.03115041|0.59580889|-0.14026676|-0.02911566|0.05063643|0.57843924|-0.03013483|-0.12939506|0.03869459|-0.03201977|0.70282370|0.05815052|0.04052165|-0.15354446|-0.05743446|-0.00049292|0.48423147|0.00921052|0.00484199|0.01178875|-0.10435930|0.01675825|-0.06006765|0.70441549|0.00196115|0.00559626|0.00692070|0.02479857|-0.09327355|-0.03224179|-0.16460874|0.46632155|-0.02188580|-0.01056698|-0.04367334|-0.00355955|-0.01508611|-0.16344060|0.08331129|0.16044026|0.37380319|-0.00114952|0.00262695|0.00015994|0.00562947|-0.02103869|0.00377509|-0.13461175|0.00377069|-0.01560157|0.90611230|0.00636934|0.00516032|0.00705397|-0.02593078|-0.01172375|-0.01663863|0.05503816|-0.22512771|-0.06383890|0.25806949|0.78128267|0.00151375|-0.00118962|0.00057678|-0.00130856|-0.03431245|-0.01419905|0.00110800|-0.03829415|-0.11928054|-0.09110323|0.09948284|0.35421274|-0.00066638|-0.00057979|-0.00085715|0.00319583|0.00397448|0.00297259|0.00724078|-0.02045993|0.00156540|-0.45372493|-0.33836267|-0.01176124|0.82443839|-0.00138240|-0.00131240|-0.00080807|0.00564934|-0.00610355|0.01155728|-0.04861860|-0.05150988|-0.03321661|-0.28112166|-0.40437666|-0.04531809|0.25298195|0.53226266|-0.00063553|0.00183367|-0.00035876|0.00195541|0.00368083|0.00168176|-0.00938685|-0.04189990|0.02909365|0.02629011|-0.01054131|-0.09742152|-0.21048079|0.12016578|0.23102207|0.00082816|-0.00001900|0.00097443|-0.00374575|-0.00051444|-0.00052598|-0.00831044|0.01174651|0.00834242|-0.23397794|0.04153359|0.10510205|-0.05983064|-0.00645829|0.02004419|0.70181088|-0.00079651|-0.00022380|-0.00101312|0.00368971|0.00046128|0.00292578|0.03431084|-0.01759518|-0.01653249|0.00379533|-0.12388230|0.01212063|-0.02815379|0.01292199|0.01515082|0.05644473|0.68207041|0.00028723|0.00013567|0.00030243|-0.00136027|0.00189397|0.00179165|0.01967533|-0.00515934|0.01148689|0.05224759|-0.01204052|-0.11434493|0.01912581|0.01510707|-0.00057614|-0.08356058|-0.16376316|0.25834122|0.00008271|-0.00006855|-0.00002330|0.00107829|-0.00181573|-0.00273148|-0.00213107|0.00230609|0.00043533|-0.03123341|0.02694592|-0.02439952|-0.00021585|0.00479998|-0.00152580|-0.15881203|0.11849552|-0.05922092|0.52859891|0.00037244|-0.00054151|0.00035784|-0.00332093|0.00165523|0.00144017|0.00640850|-0.00035416|0.00023677|0.03269042|-0.01912234|-0.00870242|-0.00855134|-0.00245092|0.00357204|0.03378393|-0.19469681|0.05462973|-0.20239175|0.58238906|-0.00006707|-0.00030939|-0.00006098|-0.00096912|0.00121720|0.00209682|0.00579636|-0.00324723|-0.00416614|0.00801818|-0.01898074|0.00536021|-0.00233263|-0.00172844|0.00280881|-0.04830234|0.10137614|-0.12699065|0.12146107|0.05888038|0.46091427|0.00000934|0.00001649|0.00000659|-0.00045822|0.00078641|0.00076642|-0.00012552|-0.00030156|-0.00001438|-0.00049803|0.00432044|0.00011644|0.00085694|-0.00039195|0.00007682|-0.01785597|-0.00566832|0.00487199|-0.12307754|0.10054542|0.05445642|0.51889959|0.00000008|-0.00003416|0.00007577|-0.00010614|-0.00069619|-0.00059998|-0.00021970|0.00045696|0.00062041|0.00256163|-0.00032562|-0.00216964|-0.00213271|-0.00061469|0.00017633|0.00721674|-0.00709632|0.00171937|0.04904016|-0.16044401|-0.04964482|0.11867743|0.66423202|0.00017301|-0.00006614|0.00023612|-0.00117556|0.00052263|0.00029592|-0.00073409|0.00113978|0.00166775|0.00327439|0.00250939|-0.00392284|-0.00172079|-0.00046479|0.00024387|-0.01577233|0.02418679|0.01299426|0.03634583|-0.06896004|-0.13599392|-0.05515573|0.07337573|0.63525406|0.00019667|-0.00002674|0.00011605|-0.00017486|0.00067359|-0.00020662|-0.00018836|0.00042757|0.00073783|0.00291161|0.00105289|-0.00279163|-0.00108041|-0.00064115|0.00041894|-0.01242143|0.00549330|-0.00297654|-0.06789863|0.05635830|-0.05079264|-0.10827639|-0.01086729|-0.03221352|0.73091847|0.00002002|-0.00000054|-0.00005688|0.00021963|0.00014259|-0.00034655|0.00003466|-0.00021723|-0.00033293|-0.00005710|-0.00078349|0.00077407|0.00019115|0.00001797|-0.00003431|0.00626248|0.00083869|-0.00314434|0.03582855|-0.02585506|0.01926254|-0.02243674|-0.07663703|-0.00224784|-0.01476159|0.54685477|-0.00008339|-0.00004241|0.00012335|-0.00084372|-0.00144698|0.00014091|0.00029073|0.00011774|0.00018525|0.00050357|-0.00054994|-0.00149030|-0.00041199|0.00009438|0.00022427|-0.00601630|-0.00056812|0.00082970|-0.02748951|0.01674206|-0.01471655|-0.04724376|0.01300509|-0.16175505|-0.02056336|-0.14519324|0.51681772|-0.00033223|-0.00040905|0.00002820|-0.00261063|0.00935597|0.01285919|0.00588393|-0.00187839|0.00035540|-0.00272848|-0.00306607|-0.00525044|-0.00045827|0.00134995|0.00114960|-0.01719058|-0.00130118|-0.00103928|-0.14074676|-0.04529155|-0.09676942|0.00505465|0.00264311|0.00578555|-0.09841614|0.04512793|0.02638003|0.54794440|-0.00116420|0.00000707|-0.00004942|0.00069195|-0.00409342|0.00265621|0.00021183|-0.00144966|-0.00142550|-0.00657616|0.00113791|0.00734272|0.00261376|0.00092464|-0.00106676|0.03277841|-0.00280349|0.02191318|-0.03494453|-0.11367794|-0.03954097|-0.01603463|-0.04075763|-0.04490631|0.03208687|-0.18411975|-0.00682392|0.02356177|0.66865649|-0.00008573|0.00013368|-0.00056335|0.00232804|0.00594531|0.00256099|0.00071763|-0.00169054|-0.00202128|-0.00222125|0.00243596|0.00295562|0.00188373|-0.00078388|-0.00059075|-0.02222370|0.00548647|-0.02195655|-0.03012035|-0.02039594|-0.11821024|-0.01597593|-0.07202947|-0.04518302|0.01476872|0.01489544|-0.07801499|-0.10659241|0.02363874|0.54577868|0.00014902|0.00131573|-0.00113170|0.00004772|0.03115635|-0.00804505|-0.00391361|0.00076192|-0.00040850|-0.00037362|0.00402093|0.00061145|-0.00027460|-0.00213087|-0.00021444|-0.00293620|-0.00039867|-0.00963374|0.01275849|-0.00414197|-0.00955799|-0.00220951|-0.00139707|-0.00209463|-0.00369687|-0.00085232|0.00558254|-0.12454432|0.03299850|0.09637744|0.43604332|-0.00013177|0.00147029|0.00072549|0.00951638|-0.01500864|-0.00352231|-0.00514174|0.00138635|-0.00211422|0.00167608|0.00235350|0.00233975|-0.00028673|-0.00059248|-0.00029737|0.00224128|-0.00104882|0.00099696|-0.00293156|-0.01397401|-0.03296656|0.00039576|-0.00637275|-0.00449053|0.00398387|-0.00106762|-0.02053931|0.03094606|-0.12126225|-0.03750809|-0.10178638|0.89169140|-0.00154454|-0.00061739|-0.00018318|0.00115646|-0.00971096|0.00876317|-0.00132435|-0.00031184|0.00099170|-0.00056084|0.00221252|0.00099470|0.00023102|-0.00042042|-0.00058570|0.00156439|-0.00252483|-0.00452472|-0.00057645|-0.02233176|-0.03882669|-0.00156549|-0.00170004|-0.00294738|-0.00419038|-0.00434059|0.00989751|0.07547161|-0.02562899|-0.16651640|-0.19624550|-0.18140738|0.48304023|-0.01924724|0.00394787|0.00449320|-0.23344505|0.04091145|0.00993011|-0.03410769|0.01219096|-0.01139504|0.00207637|-0.00380676|-0.00017338|-0.00006483|0.00183804|-0.00019608|0.00056064|-0.00208979|-0.00103530|0.00015978|-0.00060358|-0.00323395|0.00010658|0.00173305|-0.00010877|-0.00023451|-0.00029193|0.00504848|-0.01053026|0.03608967|-0.00456822|-0.16305700|0.16118975|0.01250199|0.59573732|-0.01727844|0.00840877|-0.00296482|0.04964704|-0.11436654|0.01525792|0.00293014|0.00286030|0.00227690|-0.00345174|-0.00131657|-0.00306570|0.00013130|0.00020474|0.00047542|-0.00055643|0.00164435|0.00141051|0.00685180|-0.00243648|0.00202166|-0.00066657|0.00055838|-0.00036169|-0.00012543|0.00103808|-0.00060722|0.01374317|-0.02351639|-0.00825664|0.14637742|-0.54842255|0.11648865|-0.15584633|0.84855118|0.02822464|-0.01015301|0.00135005|0.03402227|0.00295824|-0.08747215|-0.04049442|0.01485628|-0.00547087|-0.00142044|-0.00161394|-0.00006056|-0.00010306|-0.00013449|-0.00032352|0.00110328|-0.00319455|-0.00221531|0.00099366|-0.00731212|-0.00829894|-0.00083435|-0.00057429|-0.00093722|0.00130623|0.00097978|-0.00340118|0.00202756|-0.01982932|0.00758965|-0.00033863|0.13585630|-0.10660547|-0.12817395|-0.23845589|0.39634762|-0.29690264|0.10258720|-0.00129327|-0.01988474|0.00959586|-0.00340183|0.00189317|-0.00016447|-0.00071313|-0.00038563|0.00000057|0.00018251|0.00019590|0.00013819|0.00003519|0.00024146|-0.00012295|0.00005869|-0.00009976|0.00026664|0.00017398|0.00006246|-0.00003903|0.00005697|0.00006887|-0.00002867|0.00005008|0.00030674|-0.00019040|-0.00027554|-0.00006170|-0.00044001|-0.00038760|0.00001470|-0.00337360|0.00363490|0.32242104|0.10447968|-0.10399915|0.00057896|-0.01766545|0.00671266|0.00000930|0.00003693|-0.00035711|-0.00131456|0.00014127|0.00018122|0.00019568|-0.00007032|-0.00008003|-0.00035972|-0.00008284|-0.00009440|-0.00000662|-0.00004311|0.00008536|0.00004313|-0.00000956|0.00002965|0.00003023|-0.00001260|0.00001529|0.00002895|0.00024157|0.00033814|-0.00001909|-0.00039886|-0.00079941|-0.00016502|-0.00070476|-0.00135460|0.00333476|-0.11343889|0.10673859|-0.00357174|0.00090304|-0.05929459|0.02818521|-0.01339299|-0.00003642|-0.00017594|-0.00029397|0.00295362|0.00040516|-0.00059492|-0.00032535|-0.00004089|0.00009308|0.00009657|-0.00025339|0.00022299|0.00003137|0.00000789|-0.00013402|-0.00000621|-0.00000765|-0.00000539|-0.00005783|-0.00004092|0.00000263|-0.00003281|-0.00003724|-0.00005350|0.00010074|0.00014999|0.00052944|0.00023765|0.00182765|0.00381087|-0.00412057|0.00071859|-0.00337284|0.05903074|-0.06181899|-0.02198736|-0.00171247|-0.00017194|-0.02278475|-0.00550272|0.00014279|0.00127370|-0.00095763|0.00101330|0.00045127|0.00035145|-0.00027970|-0.00013716|0.00013133|-0.00023303|-0.00003923|0.00000232|-0.00002732|-0.00002340|-0.00000138|-0.00001535|0.00003522|0.00000614|-0.00004186|0.00000979|-0.00000464|0.00018089|0.00032953|0.00014455|-0.00115219|-0.00021504|-0.00005982|0.00093743|0.00009380|-0.00023481|0.00512030|0.03587883|0.00435160|0.06163873|-0.02361517|-0.34473442|-0.02960808|-0.00094055|-0.01519915|-0.00306906|0.00039771|0.00213780|0.00009584|-0.00063611|-0.00100215|0.00018981|0.00015565|0.00090559|-0.00079432|0.00019610|-0.00007424|-0.00012162|-0.00005522|0.00023804|0.00013046|-0.00001430|0.00004698|0.00005594|-0.00000595|0.00001144|0.00004869|0.00037439|0.00046477|-0.00004506|0.00008563|-0.00090277|0.00013078|0.00098332|0.00011272|0.00016159|-0.00064807|-0.01272917|-0.00163626|0.02418363|0.37429234|-0.00314618|-0.03255138|-0.06347817|0.00097479|0.03175652|0.00509459|-0.00122017|-0.00149215|0.00257262|0.00134779|0.00096035|-0.00107705|-0.00077199|-0.00111928|0.00017545|-0.00029428|0.00014879|0.00006792|-0.00008233|-0.00021611|-0.00002304|0.00005522|-0.00010821|-0.00006479|-0.00003942|-0.00000200|-0.00001062|0.00008249|0.00014078|0.00010627|0.00025528|-0.00076995|0.00027512|-0.00097735|-0.00045154|0.00062604|0.00012894|0.00139287|-0.00048761|0.00066622|0.03359070|0.06259585|-0.10996988|-0.02488419|-0.10776233|0.01038280|0.00640475|0.01788899|-0.00119223|-0.00053937|0.00589348|-0.00008657|-0.00194003|-0.00027397|0.00024764|0.00056249|-0.00011318|-0.00004430|0.00007536|-0.00012144|0.00005239|-0.00005435|-0.00004016|-0.00001827|0.00002212|-0.00002916|-0.00001581|0.00001632|-0.00001690|-0.00010595|0.00007498|0.00009444|-0.00003665|0.00014275|0.00019314|0.00050162|0.00056783|-0.00017805|-0.01325724|-0.00806293|-0.03112240|-0.00123453|-0.00029099|-0.00090495|0.11375288|-0.02473100|-0.07145720|-0.05057037|0.00846850|0.00349259|0.01272345|-0.00159047|0.00084614|0.00399887|-0.00084186|-0.00182693|0.00027215|0.00039119|0.00087005|-0.00032362|0.00008873|0.00011777|-0.00008479|0.00005461|0.00010047|0.00004204|-0.00002218|0.00003103|-0.00001145|0.00001301|0.00000422|-0.00000130|-0.00004946|-0.00013041|0.00001122|0.00021315|0.00035826|0.00015796|0.00021729|0.00061811|-0.00078412|0.00573645|0.00327275|0.01505659|-0.01659735|-0.00432899|-0.03420523|0.02788842|0.06846941|-0.10499751|-0.04954390|-0.28429266|-0.01476281|-0.00875584|-0.01986202|0.00360833|0.00156245|-0.00787127|-0.00056640|0.00317661|0.00134996|-0.00030274|-0.00081817|-0.00021982|0.00042950|-0.00048873|0.00001434|0.00004019|0.00021972|0.00000947|-0.00003196|0.00009004|0.00013250|0.00005983|-0.00002152|0.00000408|0.00008235|-0.00038512|-0.00018908|0.00025907|-0.00028161|-0.00003168|-0.00040765|0.00012275|0.00117070|-0.00020168|0.00098257|0.00203465|-0.00060723|-0.00106645|-0.00136039|0.11722104|0.05500157|0.30748384|0.00064651|-0.02398413|0.00011992|-0.06452120|0.00745904|0.00530993|0.00336580|-0.01662568|-0.00899546|-0.00273654|0.00098656|-0.00142488|0.00017518|-0.00136244|0.00009834|0.00033426|-0.00031265|-0.00004780|0.00004148|0.00018950|-0.00015596|-0.00003016|0.00011811|0.00004364|-0.00013487|-0.00010368|0.00054696|-0.00121159|0.00079555|-0.00176435|-0.00637993|0.00085845|0.00273776|0.00105431|0.04040986|0.00133689|0.00080776|0.00013896|-0.00123331|-0.00197539|-0.00201181|0.00401203|0.00049640|0.00067523|-0.00006197|0.06848904|0.00062627|-0.01427036|-0.00043914|0.00526607|-0.34215157|-0.02110571|0.00004310|-0.00480994|-0.00683281|-0.00193804|0.00267246|-0.00002047|0.00004898|-0.00094377|0.00005988|0.00006287|-0.00015169|-0.00012403|0.00009816|0.00004169|-0.00001438|-0.00007107|0.00003912|0.00006749|0.00002822|0.00009338|-0.00019671|0.00047266|-0.00060020|0.00067587|0.00206935|0.00080502|-0.00237029|0.00197305|-0.00950661|0.00227801|-0.00073055|0.00094383|-0.00035235|-0.00162364|0.00037296|0.00259315|0.00017582|0.00009810|0.00072082|-0.00602053|0.36712134|0.00072677|0.02951371|0.00369955|0.00201527|-0.01492945|-0.05777947|0.00244242|-0.04129268|-0.01922167|-0.00642154|0.00250305|-0.00273285|0.00006739|-0.00405442|0.00011222|0.00020441|-0.00048996|0.00003139|0.00013823|0.00012963|-0.00016485|-0.00005199|0.00012499|0.00011947|0.00008591|-0.00001504|0.00007025|-0.00045452|-0.00015217|-0.00031859|0.00001043|0.00001528|0.00075531|0.00027841|0.00170481|0.00109034|-0.00032646|-0.00096366|0.00115298|0.00356183|0.00253491|-0.00431928|-0.00104673|-0.00080206|0.00076294|-0.00123750|0.02590710|0.07578877|0.00158545|0.00013346|0.00084063|-0.01106278|0.00314728|0.00572797|-0.45138077|0.13630426|-0.03084843|-0.00508827|-0.00660467|0.00293837|0.00165728|-0.00243560|-0.00149668|0.00111652|0.00134996|-0.00057673|-0.00087253|0.00136028|0.00066274|0.00019727|-0.00016573|-0.00006955|-0.00002163|-0.00001325|0.00005991|0.00093006|0.00001532|0.00009199|-0.00031080|-0.00154093|-0.00052878|-0.00173424|0.00065232|-0.00355294|0.00053822|0.00023395|-0.00035304|-0.00005313|-0.00001854|-0.00007314|0.00004972|-0.00017285|0.00021159|-0.00004455|-0.00085491|-0.00034025|0.46306554|-0.00054559|-0.00054058|-0.00063218|-0.00599616|0.00471379|0.00285131|0.09589048|-0.08492793|-0.02211572|0.04589042|-0.00947210|0.00065916|-0.00201344|0.00359379|-0.00014594|-0.00017609|-0.00380790|-0.00285482|-0.00012205|-0.00027577|-0.00005442|0.00023160|0.00010443|0.00021668|0.00011261|-0.00010149|0.00005074|0.00066077|-0.00014768|-0.00032435|-0.00072732|0.00040774|-0.00016004|-0.00032821|0.00013648|-0.00188783|0.00010140|0.00019529|0.00024152|0.00012440|-0.00027030|0.00030229|-0.00006056|0.00004866|-0.00053410|-0.00022548|-0.00070846|0.00029932|-0.13109710|0.09381102|-0.00076993|0.00143235|0.00201171|-0.03966772|0.01094872|-0.00327329|-0.00700348|-0.02507757|-0.05018173|0.01882927|-0.00119059|-0.00062600|-0.00069846|0.00019180|-0.00195365|0.00179202|-0.00640524|-0.00007599|0.00014819|-0.00044095|-0.00136481|0.00018193|0.00022088|0.00073739|0.00019188|-0.00014642|0.00008729|0.00138226|-0.00002299|-0.00027156|-0.00158431|-0.00114710|-0.00018949|-0.00294088|-0.00010281|-0.00680713|0.00111909|-0.00021151|-0.00098010|0.00014887|0.00016678|-0.00023977|0.00034908|-0.00043468|0.00074213|0.00072659|-0.00024114|0.00114366|0.02795400|0.02236620|0.05852775|0.00031100|-0.00088469|0.00037972|-0.00118739|-0.00120446|-0.00098511|0.00462386|0.00733817|-0.00463618|-0.03670784|0.02083280|0.02718239|-0.31280887|0.07578432|0.16857666|0.00070926|-0.01004267|0.00278323|0.00144341|-0.00025453|0.00004174|0.00004105|-0.00009992|-0.00014103|-0.00002379|0.00001944|-0.00004283|-0.00022084|0.00003518|0.00031891|0.00021153|0.00014314|0.00014415|0.00000429|-0.00012639|0.00010749|0.00001032|0.00000000|-0.00006131|-0.00020408|0.00052708|-0.00024175|0.00008619|0.00031071|0.00012402|0.00006821|0.00008593|-0.00003720|0.00102740|-0.00206179|0.00049151|0.34479875|-0.00013690|0.00052442|-0.00004788|-0.00033552|0.00110633|-0.00141466|0.00130817|-0.00032469|0.00575126|-0.03869132|-0.00147985|0.01667560|0.13635101|-0.08549504|-0.08853650|-0.00534494|0.00238562|-0.00303068|-0.00112642|-0.00017987|-0.00063747|-0.00030332|0.00006842|0.00007253|-0.00005138|0.00009429|-0.00013065|-0.00033085|0.00034050|-0.00013486|0.00037312|0.00012838|0.00005072|-0.00014214|-0.00001675|0.00022061|0.00008108|-0.00005895|-0.00014144|0.00015731|-0.00013147|0.00002529|0.00000634|-0.00015411|0.00015228|0.00016783|0.00017801|0.00062218|-0.00053356|-0.00270856|0.00037965|-0.09139264|0.08575030|0.00002717|-0.00044376|-0.00009575|-0.00091611|-0.00187620|0.00076321|-0.00427616|0.00459419|-0.00868385|-0.01181509|-0.01133731|-0.00019975|0.20305611|-0.05805264|-0.16308976|0.00706442|-0.00488728|0.00801829|0.00189759|0.00001429|-0.00014144|-0.00007507|0.00020889|0.00030477|0.00017824|-0.00006064|0.00009913|0.00014132|-0.00054753|-0.00000714|-0.00000529|0.00000184|0.00003381|0.00021723|-0.00009250|-0.00009933|0.00004063|-0.00006732|-0.00011899|-0.00041086|0.00014572|-0.00060293|0.00011331|0.00022891|0.00005935|-0.00010838|-0.00009924|-0.00046675|-0.00040610|0.00139053|0.00126903|-0.19468912|0.07026360|0.16090587|-0.00019815|-0.00012597|-0.00020319|0.00019739|0.00023040|0.00097651|0.00216698|0.00078376|-0.00145415|-0.01412249|-0.03969215|-0.00008520|-0.00836546|0.00132864|0.00556085|-0.19842915|-0.17186004|0.05783672|0.01264573|0.03346816|-0.01062445|0.00318966|-0.00034776|-0.00325854|-0.00057553|-0.00032190|0.00065778|0.00540993|0.00386173|-0.00043911|-0.00065662|-0.00112354|-0.00053719|-0.00015758|-0.00011894|-0.00098047|-0.00000715|-0.00002853|0.00002607|-0.00002069|0.00007291|-0.00005539|0.00005331|0.00006885|-0.00008648|0.00000345|0.00001707|0.00000629|0.00022963|0.00006563|-0.00052100|-0.00223298|-0.00016197|-0.00014028|0.20249998|0.00000416|0.00003895|-0.00003876|0.00017777|0.00022206|-0.00028010|0.00133844|-0.00005246|0.00031517|0.00638492|0.00901290|-0.00841338|0.00230422|0.00054714|-0.00067263|-0.18245206|-0.35432756|0.09131045|-0.00510090|-0.02970042|0.00693939|-0.00361551|-0.00133504|0.00345509|0.00024725|0.00080707|-0.00087645|0.00081540|0.00213950|-0.00306615|-0.00059512|-0.00015206|-0.00045876|-0.00027073|-0.00002479|-0.00080548|-0.00001788|0.00000102|0.00002108|0.00000622|-0.00004682|0.00004832|-0.00001788|-0.00001652|0.00001365|0.00003069|-0.00004239|-0.00003488|0.00002424|-0.00000254|-0.00018742|0.00092163|0.00002077|0.00063578|0.17649636|0.37270931|-0.00013973|0.00011776|-0.00009005|0.00067593|-0.00040318|-0.00093548|-0.00313541|0.00099766|-0.00037379|0.01472225|0.01699037|-0.00823433|0.00077349|-0.00041578|-0.00123743|0.03197094|0.04245934|-0.03097150|0.00175992|0.02939657|-0.01334880|-0.00029362|-0.00210928|0.00094654|0.00029275|-0.00007591|0.00062818|0.00266994|0.00240394|0.00145793|0.00078173|-0.00003002|0.00039153|0.00064333|-0.00034234|-0.00207193|-0.00010754|0.00000752|0.00004092|0.00005365|-0.00001138|0.00003511|0.00001774|-0.00004261|0.00005557|-0.00003492|0.00013442|0.00011317|-0.00059331|0.00012337|0.00128821|0.00096004|-0.00022633|0.00223453|-0.04906339|-0.08666913|0.05117204|0.00000535|0.00001458|0.00000868|0.00004776|-0.00020634|-0.00018649|-0.00019348|0.00001530|-0.00000866|0.00044797|0.00007637|0.00005287|-0.00000724|-0.00017410|-0.00000698|0.00108045|0.00113680|-0.00029936|0.01574119|0.02246197|0.00862440|-0.13259866|-0.12329226|-0.03721294|-0.00629533|-0.01401529|0.00186739|-0.00127904|0.00320628|-0.00069887|0.00052863|-0.00004680|0.00089748|0.00022802|0.00000524|0.00008515|0.00000098|-0.00000497|0.00000064|-0.00000516|-0.00000664|-0.00000021|-0.00000308|0.00000012|-0.00000041|0.00003218|-0.00001530|0.00000368|-0.00004229|-0.00000481|-0.00000945|-0.00000454|-0.00002532|-0.00000053|-0.00045173|0.00058807|-0.00017461|0.12857241|0.00003182|-0.00003267|0.00001776|-0.00027391|0.00026002|0.00027919|0.00051954|-0.00002652|-0.00000056|-0.00133140|-0.00052139|0.00014640|0.00049737|0.00044761|0.00005627|-0.00020903|-0.00181950|0.00060802|-0.00689097|-0.01663532|-0.01192292|-0.11689513|-0.27057940|-0.05551183|0.00296024|0.00799014|0.00035798|0.00332081|-0.00286162|-0.00022199|-0.00079616|0.00017455|-0.00054120|-0.00006164|-0.00012553|-0.00028431|0.00004074|-0.00000249|-0.00000936|-0.00001450|0.00000020|0.00000360|-0.00001110|0.00000322|0.00000119|0.00002288|-0.00002503|-0.00000738|0.00009823|0.00002030|-0.00002813|0.00000443|0.00000785|-0.00000117|0.00028589|-0.00057927|0.00006860|0.12666476|0.29249102|0.00002577|-0.00003508|0.00002863|-0.00020805|0.00005532|0.00018814|0.00025395|-0.00001158|0.00004719|-0.00053060|-0.00028940|0.00028298|0.00026452|0.00030163|-0.00008253|0.00024592|-0.00053178|0.00021460|-0.00377849|-0.01093187|-0.00505114|-0.03340836|-0.05575159|-0.07988388|-0.00911504|-0.02206326|-0.00100142|0.00060712|-0.00353388|-0.00460337|-0.00068354|-0.00129186|0.00035588|0.00048168|-0.00020153|-0.00040189|0.00003447|0.00000394|-0.00001061|-0.00000807|0.00000098|-0.00000071|-0.00001259|0.00000438|0.00000453|0.00005525|-0.00003524|-0.00000345|0.00004807|0.00003527|0.00000985|-0.00001292|-0.00001713|-0.00002212|0.00035839|-0.00041761|-0.00042638|0.03204912|0.07050502|0.08150775|-0.00001524|-0.00000520|-0.00001935|0.00021114|-0.00023239|-0.00027363|-0.00015165|0.00020879|0.00007921|0.00005702|-0.00011377|-0.00033594|-0.00022792|0.00015310|-0.00018717|0.00307274|-0.00196052|-0.00103599|-0.01880411|0.00087754|0.02844994|-0.13940764|-0.05785330|0.10792106|0.01426895|0.00851246|-0.01695248|-0.00284885|0.00056888|-0.00250081|0.00023508|0.00011714|0.00005867|0.00024364|0.00012434|0.00048870|-0.00003450|0.00000266|0.00001038|0.00001257|0.00000541|-0.00002568|0.00001342|0.00001257|0.00001305|-0.00002615|0.00004097|0.00002274|-0.00006739|-0.00004866|0.00002072|0.00002719|0.00003749|0.00006962|-0.00051896|0.00081768|0.00006696|-0.00717807|-0.00788522|0.01401076|0.15011584|0.00001661|-0.00001486|0.00001677|-0.00015696|0.00015041|0.00017420|0.00005898|0.00002543|0.00001837|0.00004904|-0.00007407|0.00014992|0.00009378|0.00004226|0.00004594|-0.00216315|0.00389260|0.00008383|0.01830807|0.00898370|-0.03047576|-0.05679739|-0.10490320|0.07330782|-0.00238297|-0.00236368|0.00295770|0.00340079|0.00160027|0.00166549|-0.00005504|-0.00007587|0.00002754|-0.00027421|-0.00022735|-0.00023973|0.00001509|0.00000503|-0.00000893|-0.00000134|0.00000676|0.00000908|-0.00000707|-0.00000732|0.00000110|0.00000572|-0.00000088|-0.00000516|0.00002788|0.00002278|0.00003357|-0.00002093|-0.00001693|0.00000296|-0.00063819|-0.00013256|0.00020911|-0.01713606|-0.00872283|0.02475754|0.05682278|0.10049685|-0.00000044|0.00000542|0.00001013|-0.00013653|0.00013119|0.00025955|0.00025007|-0.00018129|-0.00006626|-0.00072595|-0.00014504|0.00015425|0.00017986|0.00009075|0.00007472|-0.00125823|-0.00174907|0.00212993|0.01001400|-0.00084120|-0.01077262|0.10915615|0.07058823|-0.21380446|0.01606096|0.01055089|-0.01879762|0.00069002|0.00247139|0.00038618|-0.00013838|-0.00106120|0.00022036|0.00014259|-0.00009512|-0.00033452|0.00003093|-0.00000696|-0.00000337|-0.00001659|-0.00000566|0.00001158|-0.00001046|-0.00000101|-0.00000903|0.00003534|-0.00004543|-0.00001807|0.00005517|0.00001707|-0.00002245|-0.00000820|-0.00003009|-0.00004249|0.00106347|-0.00068707|0.00011578|-0.00478565|-0.00236302|0.00923056|-0.12729840|-0.07427517|0.23351620|0.00000119|0.00002626|0.00001174|-0.00003533|-0.00005977|-0.00001759|-0.00004171|0.00001387|0.00001055|0.00006990|0.00013212|-0.00014928|-0.00007733|-0.00008579|0.00007998|-0.00102941|-0.00010939|0.00054276|0.00043917|0.00064043|-0.00092167|0.00627589|0.01182503|-0.00895960|-0.10410714|-0.07150204|0.07458222|0.00448896|0.00494967|-0.00950200|0.00095862|0.00004894|0.00012420|0.00003042|0.00000869|-0.00007351|0.00000180|-0.00001035|-0.00000158|-0.00001082|-0.00000322|0.00000118|-0.00000193|-0.00000562|-0.00000243|0.00002156|-0.00001259|0.00000564|-0.00000318|0.00001029|0.00000883|-0.00001226|-0.00000370|0.00000274|-0.00001092|-0.00025150|0.00005192|0.00142959|-0.00022459|0.00058752|-0.00112481|0.00108388|-0.00201173|0.10329316|0.00005790|-0.00006201|0.00001542|0.00003241|0.00015406|-0.00005346|0.00006823|-0.00002171|-0.00005760|-0.00043643|0.00001806|0.00043933|0.00024490|0.00014213|-0.00013666|0.00116441|-0.00007698|0.00012395|-0.00050202|0.00013523|-0.00166912|0.00399286|0.00641954|-0.00724365|-0.06903160|-0.18482086|0.13047570|-0.01671562|-0.02002714|0.02441973|-0.00155280|0.00196318|-0.00070091|0.00026933|-0.00006718|0.00000476|0.00001686|0.00002047|-0.00001853|0.00001734|-0.00000117|0.00001338|-0.00000432|-0.00000609|-0.00001065|-0.00001742|-0.00000524|-0.00000903|0.00000918|-0.00000238|-0.00000898|0.00001892|-0.00001154|-0.00001986|-0.00019822|0.00018686|-0.00037949|0.00081124|0.00041067|0.00086983|-0.00125483|0.00068336|-0.00192797|0.07724549|0.19613307|0.00001784|0.00001912|0.00000473|0.00005931|0.00006221|-0.00013724|-0.00017111|0.00005688|0.00003900|0.00046627|0.00032407|-0.00010150|-0.00016551|-0.00018869|0.00008778|-0.00112192|0.00012084|0.00062414|0.00014108|-0.00145516|-0.00027346|0.01512141|0.02206142|-0.02055132|0.07212539|0.13030975|-0.18589653|-0.00543260|-0.00800995|0.00853607|-0.00075847|0.00087465|0.00019395|-0.00023211|-0.00011156|0.00033370|-0.00000670|-0.00000182|-0.00000386|-0.00000054|0.00000193|-0.00000086|0.00000385|-0.00000569|0.00000197|-0.00003804|0.00001525|0.00000653|-0.00002043|0.00001559|0.00001263|-0.00001050|0.00003112|-0.00000056|0.00014978|-0.00014590|-0.00012013|0.00099564|-0.00130661|0.00196757|-0.00469952|0.00083772|-0.00417966|-0.07816785|-0.14084811|0.19793794|-0.00000314|-0.00000786|-0.00000978|0.00007184|-0.00000471|-0.00016105|-0.00018620|0.00018509|0.00014788|0.00083888|0.00000232|-0.00045253|-0.00036148|-0.00010496|0.00002475|-0.00017634|0.00033684|-0.00001869|-0.00249127|0.00341892|-0.00251035|-0.00788407|-0.00024068|0.00534335|-0.35712580|0.01464839|0.01328712|-0.00524985|-0.00397788|0.00009809|-0.00014747|0.00071337|-0.00072619|-0.00029268|0.00017497|0.00041507|-0.00002662|0.00000472|0.00000388|0.00001156|0.00000895|-0.00001509|0.00000971|0.00000477|0.00002366|-0.00005561|0.00005218|0.00002155|-0.00003455|-0.00001537|0.00003824|-0.00000400|0.00003468|0.00005728|-0.00025688|0.00016408|-0.00004245|-0.00063039|0.00046407|-0.00103631|0.00127758|0.00034179|-0.00047062|-0.01016047|0.00046506|0.00065207|0.38171874|-0.00000251|-0.00001901|0.00002456|-0.00016774|-0.00018554|0.00009890|0.00009141|-0.00003816|-0.00005548|-0.00078650|-0.00016452|0.00058666|0.00036434|0.00025697|-0.00009569|0.00251596|0.00035013|0.00131778|0.00290350|-0.00492168|0.00061202|-0.00524666|-0.00265504|0.00333426|0.01173459|-0.06280266|-0.00118572|0.03033116|0.00757750|-0.00197176|0.00076392|-0.00175224|0.00190511|0.00066974|-0.00037915|-0.00083087|0.00002054|0.00000457|-0.00000567|-0.00000156|-0.00000170|0.00000751|-0.00000895|-0.00000173|-0.00000864|0.00011164|-0.00006116|-0.00001187|0.00002421|0.00002255|0.00000579|-0.00001213|0.00000227|-0.00005100|-0.00011612|0.00008767|-0.00020257|-0.00049613|0.00009039|-0.00073135|0.00073902|0.00069706|0.00061392|-0.02486575|0.00377065|-0.00059914|-0.01725631|0.05855219|0.00003204|0.00001828|0.00004732|-0.00018260|-0.00010910|-0.00011995|-0.00013781|0.00017625|0.00021073|0.00037552|0.00035228|-0.00056776|-0.00018324|-0.00005748|0.00010130|-0.00165847|0.00105249|0.00151894|-0.00272014|0.00055020|-0.00346046|-0.02740685|0.00064473|0.01012074|0.01440188|-0.00166285|-0.06312500|0.00715928|0.00465250|-0.00375636|0.00061532|-0.00087949|0.00043652|0.00019078|-0.00018412|-0.00025513|0.00001734|-0.00001010|-0.00000801|-0.00001868|-0.00000245|-0.00001330|-0.00000663|-0.00000004|0.00001654|0.00006049|-0.00002334|0.00002717|-0.00001003|0.00003729|0.00006522|-0.00002287|0.00001703|0.00002888|-0.00012416|0.00012732|-0.00000277|-0.00178414|0.00023568|-0.00217797|0.00187034|-0.00018591|0.00180243|0.02452682|-0.00314438|0.00101502|-0.01415770|-0.00243379|0.05722958|0.00009674|-0.00010719|0.00006011|0.00022753|0.00012973|-0.00067247|-0.00018802|0.00033663|0.00011621|-0.00001052|-0.00008972|0.00003302|-0.00007738|0.00023500|-0.00013661|0.00484183|-0.00227800|0.00249769|-0.02842437|-0.02778774|0.00046911|-0.00256232|0.00285788|0.00035384|0.01212600|0.01374738|-0.00832203|-0.14923106|-0.09724272|0.07191269|-0.00753667|-0.01059808|0.00845930|-0.00000315|-0.00091005|0.00143869|0.00001657|0.00006550|-0.00005618|0.00004845|0.00006534|-0.00001264|0.00001274|-0.00001729|-0.00001154|-0.00006423|0.00004407|0.00003144|-0.00004506|-0.00002757|-0.00001494|0.00002365|0.00009681|-0.00000419|-0.00068727|0.00203754|-0.00064148|0.00050531|-0.00038596|-0.00026906|0.00094249|-0.00048424|-0.00054532|-0.00033951|0.00420046|0.00103983|0.00112245|-0.00135978|-0.00067554|0.17051140|0.00032226|-0.00017020|0.00005895|-0.00016178|0.00042149|-0.00064526|-0.00010767|0.00029839|0.00021347|0.00055298|-0.00038380|-0.00044869|-0.00012580|0.00009806|-0.00001619|0.00215056|0.00299802|-0.00137980|-0.01147067|-0.00859121|-0.00023377|-0.00038626|0.00065936|0.00220507|-0.01735553|-0.02075928|0.01399439|-0.10137847|-0.17802051|0.07671211|0.00848323|0.00803517|-0.00549238|0.00163995|-0.00018037|-0.00143813|0.00006701|-0.00002630|-0.00006071|-0.00004567|-0.00003114|-0.00000122|-0.00001859|0.00001432|0.00004326|-0.00002839|0.00002391|0.00004084|-0.00001250|0.00000942|0.00001514|-0.00000702|0.00000844|0.00003590|-0.00174272|0.00075271|-0.00066713|0.00042010|0.00013004|-0.00073027|0.00042872|0.00001023|-0.00113362|0.00138842|-0.00494432|-0.00243402|0.00066009|0.00158364|0.00077472|0.11460264|0.19891164|0.00001343|0.00016871|0.00003542|-0.00054248|-0.00021519|0.00029880|0.00013748|0.00008167|0.00026527|-0.00002053|-0.00029318|-0.00028066|-0.00016255|0.00020196|0.00014688|0.00343714|-0.00338235|0.00407875|-0.02136302|-0.02411630|0.00846258|-0.00268964|0.00216263|0.00220255|0.00308506|0.00275995|-0.00154463|0.07074094|0.07614871|-0.11496383|0.02053837|0.02266028|-0.01502987|-0.00243034|0.00170442|-0.00114842|0.00002955|-0.00016112|0.00005770|-0.00013400|-0.00018632|-0.00003696|-0.00003495|0.00004384|0.00006540|0.00016425|-0.00008910|0.00004313|0.00004130|0.00007024|0.00005862|-0.00006853|0.00008315|-0.00005983|0.00163998|0.00141367|0.00007609|0.00055361|0.00003882|-0.00006643|0.00043936|0.00083361|-0.00009032|-0.00085909|0.00077291|0.00055654|-0.00039812|-0.00037347|0.00069015|-0.07639277|-0.07638186|0.11705821|-0.00102646|0.00036283|0.00027250|-0.00112421|-0.00321389|-0.00341881|-0.00034975|0.00038774|0.00004771|-0.00035403|-0.00031574|-0.00020356|0.00016530|0.00020270|0.00006188|0.00021599|0.00031629|0.00055154|0.00158863|0.00032730|-0.00173198|0.00043895|0.00010548|-0.00044299|-0.00004098|-0.00054362|-0.00074461|-0.00989032|-0.01709170|0.01015585|-0.14337714|-0.09633684|0.11404921|0.01301869|0.00507671|-0.00741521|0.00017074|0.00016316|-0.00030232|-0.00194284|0.00146025|0.00045616|0.00000927|-0.00021749|-0.00006053|0.00078462|-0.00044252|0.00028318|0.00007768|0.00002282|-0.00015284|-0.00006013|-0.00002611|-0.00005816|-0.00009672|0.00014462|-0.00032524|0.00001164|0.00010317|0.00003218|-0.00004856|-0.00012825|-0.00028954|0.00001114|0.00104226|-0.00003688|0.00007551|0.00008517|-0.00016071|-0.00094163|0.00126409|0.00452391|0.13956192|0.00025515|-0.00033841|0.00011050|-0.00192442|0.00005281|-0.00086684|0.00036733|0.00024074|-0.00038824|-0.00053465|-0.00038339|0.00008887|0.00011299|0.00021700|-0.00013890|0.00002438|0.00012387|0.00026095|0.00056622|0.00066640|0.00107950|0.00006537|0.00012777|0.00012196|-0.00001552|0.00118040|0.00049399|0.00954387|0.01118818|-0.01064289|-0.09458016|-0.18229008|0.11441223|-0.02142206|-0.01606707|0.02101223|-0.00004676|0.00052373|-0.00027524|0.00069081|0.00077708|-0.00000795|0.00008352|-0.00023858|-0.00025654|0.00006809|0.00010594|-0.00010473|0.00008828|-0.00000068|0.00005769|0.00003728|-0.00001641|0.00002899|0.00005734|-0.00010699|-0.00018073|-0.00004081|-0.00006302|0.00006511|-0.00009343|-0.00008679|0.00012910|-0.00021015|-0.00029005|0.00035009|-0.00007373|-0.00001576|0.00009408|0.00165358|-0.00073093|-0.00311716|0.10129516|0.18910770|0.00084810|0.00019245|0.00045910|-0.00093290|-0.00285890|-0.00371784|-0.00052421|0.00040421|-0.00007267|0.00031544|0.00010585|-0.00081987|-0.00010511|-0.00014103|0.00040507|-0.00036880|0.00066222|0.00043697|-0.00013394|0.00015542|0.00195117|0.00018414|-0.00026500|0.00004792|-0.00025408|0.00027408|0.00018498|0.01194123|0.01335328|-0.00836604|0.09948654|0.11480397|-0.16531523|0.00396006|-0.00059900|0.00115918|-0.00006535|-0.00028108|-0.00009659|0.00034673|-0.00067619|0.00023454|-0.00000945|-0.00021187|-0.00022637|0.00051431|-0.00022234|0.00013388|0.00008524|0.00003512|-0.00020033|-0.00009430|-0.00000965|-0.00006261|0.00023927|0.00004941|-0.00011009|-0.00004575|-0.00006669|-0.00004157|-0.00014005|0.00003493|0.00019387|0.00006121|-0.00069583|0.00004376|-0.00005513|-0.00008571|0.00009653|0.00168683|-0.00186287|-0.00271618|-0.12087881|-0.12650627|0.16825291|-0.00512116|0.00386312|-0.00239360|-0.01648086|-0.01735380|0.02527359|0.00248821|-0.00023265|-0.00056423|-0.00136725|0.00008960|0.00052108|0.00034805|0.00002127|-0.00012395|0.00018104|-0.00031097|0.00044572|0.00020450|-0.00074860|-0.00014285|-0.00011474|-0.00007443|-0.00021456|0.00027977|0.00028994|-0.00012130|-0.00260438|0.00235232|-0.00192381|0.00973247|0.00860645|-0.00934225|-0.15179959|-0.08434071|0.10861529|-0.00121104|-0.00085404|0.00157084|0.00008096|-0.00026979|-0.00011956|0.00029835|0.00010200|0.00002872|0.00085943|0.00060437|0.00001060|0.00028639|0.00033979|-0.00001948|0.00008062|-0.00000775|0.00003970|0.00039222|-0.00018167|-0.00088889|0.00005752|-0.00003435|0.00000831|-0.00002382|0.00002139|0.00001747|-0.00006658|0.00005639|0.00008972|-0.00003943|-0.00003507|-0.00000025|-0.00036395|0.00086102|-0.00024836|0.00312271|0.00403234|0.00393879|0.16078056|0.00293356|-0.00024393|0.00042701|0.00995840|0.00982794|-0.00921808|-0.00036777|-0.00008402|-0.00008861|-0.00076754|0.00014761|0.00047104|0.00027945|0.00002679|-0.00015714|-0.00023442|-0.00010572|0.00019829|0.00126489|-0.00043765|-0.00017847|-0.00017062|-0.00032258|-0.00033709|0.00010543|0.00044037|-0.00020542|-0.00546871|-0.00090685|0.00107071|-0.01920649|-0.01505230|0.02349727|-0.07781137|-0.14612518|0.10587551|0.00057364|0.00043401|-0.00052512|0.00021912|0.00008683|-0.00006760|-0.00012035|-0.00017723|0.00008327|-0.00134588|0.00078152|-0.00052334|-0.00001920|-0.00011986|-0.00017305|0.00004816|-0.00002143|-0.00001516|-0.00026072|-0.00000653|-0.00115277|0.00006404|-0.00003139|-0.00002558|-0.00002222|0.00000963|-0.00004903|-0.00002861|0.00029940|0.00002602|0.00000120|0.00000278|-0.00003978|0.00121579|-0.00011677|-0.00082848|0.00595640|-0.00368346|0.00441149|0.08320383|0.15537802|0.00137804|-0.00062684|0.00094109|0.00199132|0.00572354|-0.00364900|-0.00072866|-0.00015405|0.00120715|0.00025685|-0.00005284|-0.00020238|-0.00002178|-0.00008143|0.00016517|-0.00091878|-0.00038261|-0.00125702|0.00078225|-0.00048693|0.00026761|-0.00023875|-0.00011680|-0.00020215|-0.00064550|-0.00006480|0.00049407|-0.00397817|-0.00274513|-0.00393960|0.00617202|0.00950306|-0.00583163|0.11615753|0.11061858|-0.17964314|0.00046724|0.00033353|-0.00015399|-0.00009526|-0.00003129|-0.00007962|-0.00009170|-0.00006214|0.00015435|-0.00065913|-0.00024028|-0.00002580|0.00015238|-0.00000229|0.00023280|-0.00005802|0.00001231|-0.00002356|-0.00094211|-0.00157560|-0.00063293|0.00007538|-0.00005337|-0.00006422|-0.00005253|0.00002346|0.00003533|0.00006900|-0.00021074|-0.00009622|-0.00005895|0.00013622|0.00007963|-0.00034399|-0.00116790|0.00184103|0.00578808|0.00418022|0.00814550|-0.12445675|-0.12247588|0.18223756| 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| 95.5140 127.5715 154.1619 220.1888 263.0359 271.5043 322.3019 348.6787 369.3452 383.1415 456.2020 497.2277 554.3091 586.6126 605.3655 632.4568 726.2950 810.6165 834.3380 861.5738 898.5346 928.3492 945.2476 961.4325 990.2421 1023.2899 1038.8974 1064.0361 1083.0196 1143.0445 1149.9639 1163.8043 1189.3930 1210.2229 1227.6675 1242.2789 1261.1906 1276.9652 1327.4494 1368.3967 1384.3147 1399.6042 1401.6917 1414.0287 1462.7940 1471.9094 1505.8334 1513.9303 1554.4716 1570.4967 1606.3568 1633.9598 1640.1846 1652.7236 1671.1102 1682.3561 1861.3564 1917.7174 3140.9405 3179.7787 3206.1569 3231.6016 3260.8435 3265.3816 3289.8666 3291.3139 3317.7773 3319.4210 3369.3441 3744.2982 3763.8775 3766.1054 4.0395 3.6373 3.6482 2.1701 3.0656 1.1864 2.9598 3.1308 2.9190 4.2406 2.7298 2.6215 2.6548 4.5703 3.0045 2.9794 2.4495 2.3061 1.8749 2.2037 2.2380 1.7338 1.9350 1.9805 1.5465 2.0723 2.2918 2.1505 2.5990 1.6720 1.4699 1.5652 2.1213 2.5031 1.9113 1.9665 1.5005 2.2088 1.3919 1.7253 1.3652 1.3666 1.6854 1.5166 1.7892 1.3991 1.6544 1.2846 1.4162 1.3181 1.3541 1.1227 1.0750 1.0730 1.2955 1.2037 5.4550 7.1824 1.0832 1.0703 1.0400 1.0853 1.0609 1.1016 1.0965 1.1023 1.1099 1.0898 1.0918 1.0767 1.0752 1.0748 0.0217 0.0349 0.0511 0.0620 0.1250 0.0515 0.1811 0.2243 0.2346 0.3668 0.3347 0.3819 0.4806 0.9266 0.6487 0.7022 0.7613 0.8928 0.7690 0.9638 1.0646 0.8804 1.0187 1.0786 0.8935 1.2785 1.4574 1.4345 1.7961 1.2871 1.1453 1.2490 1.7681 2.1600 1.6972 1.7881 1.4062 2.1221 1.4451 1.9034 1.5415 1.5772 1.9510 1.7866 2.2557 1.7859 2.2103 1.7348 2.0162 1.9154 2.0587 1.7660 1.7040 1.7269 2.1316 2.0073 11.1353 15.5628 6.2962 6.3763 6.2986 6.6777 6.6466 6.9207 6.9920 7.0354 7.1984 7.0746 7.3027 8.8936 8.9743 8.9815 0.7843 3.4814 3.0328 0.9813 0.7003 0.0731 0.5652 0.3990 0.2780 5.2867 14.7803 0.9945 10.1636 10.6951 11.6627 20.7767 8.0739 15.6670 71.0546 59.9252 44.5985 53.3779 5.0841 6.5797 70.5779 35.7326 3.1874 45.2505 56.9073 0.8442 43.9805 7.0317 51.3240 39.4058 51.4863 29.8184 9.0823 5.0533 3.1875 5.3900 9.9746 15.7345 95.4458 17.6318 12.3827 16.3204 47.0395 2.4227 28.2263 13.1196 48.4190 2.3566 3.3353 4.0427 15.7498 26.3297 0.5042 282.8792 47.8484 92.2261 23.0255 49.9900 36.8127 34.9845 54.1513 30.0431 28.0548 41.3751 10.6103 1.3804 2.5402 0.5045 1.6346 1.3987 0.9865 0.8816 0.9816 0.3365 1.9318 3.2668 4.2867 4.9596 2.0410 0.6630 1.2252 7.6500 2.7774 3.5216 2.7462 1.8939 3.9342 4.2967 6.3084 1.8407 4.9906 5.4456 9.1518 7.4442 5.9162 7.2912 7.2060 3.3766 0.5857 4.1943 5.6045 2.0322 5.2928 5.0872 6.7926 4.2435 8.2617 2.4329 3.7894 4.7279 4.1632 6.8372 5.9011 14.5158 5.4689 6.0041 3.9476 4.1528 3.7268 15.3466 15.3019 7.0671 1.6415 8.0523 36.0234 29.2089 44.0928 114.7548 87.2810 158.1607 100.8123 79.4851 104.5165 27.3324 91.7793 59.4741 41.8358 74.2096 32.1053 144.1802 0.7304 0.6476 0.5771 0.6788 0.6916 0.7265 0.4382 0.6714 0.7224 0.6328 0.1627 0.3057 0.2027 0.1385 0.2333 0.0716 0.4835 0.4463 0.5955 0.7019 0.5843 0.2738 0.6556 0.7464 0.3240 0.3415 0.4254 0.7386 0.2049 0.4398 0.4393 0.3779 0.3301 0.5865 0.1350 0.7476 0.6468 0.7471 0.7483 0.3152 0.7379 0.3519 0.7485 0.4054 0.7500 0.3307 0.7070 0.7160 0.5202 0.4249 0.7462 0.7436 0.6467 0.7457 0.6602 0.7274 0.1674 0.3080 0.3447 0.2199 0.1032 0.2797 0.1754 0.7495 0.3090 0.4199 0.7458 0.1878 0.3099 0.4073 0.2898 0.2528 0.8442 0.7861 0.7319 0.8087 0.8177 0.8416 0.6093 0.8034 0.8389 0.7751 0.2798 0.4683 0.3371 0.2433 0.3784 0.1337 0.6518 0.6172 0.7465 0.8249 0.7376 0.4298 0.7920 0.8548 0.4895 0.5092 0.5969 0.8496 0.3401 0.6109 0.6104 0.5485 0.4963 0.7393 0.2379 0.8556 0.7856 0.8553 0.8560 0.4793 0.8492 0.5206 0.8561 0.5769 0.8571 0.4970 0.8284 0.8345 0.6844 0.5964 0.8547 0.8530 0.7855 0.8543 0.7954 0.8422 0.2868 0.4709 0.5127 0.3606 0.1871 0.4372 0.2984 0.8568 0.4721 0.5914 0.8544 0.3163 0.4731 0.5788 0.4493 0.4035 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 1093.39427 2240.72117 2830.49366 0.99991 0.00868 -0.01055 -0.00878 0.99992 -0.00956 0.01046 0.00965 0.99990 1 0.07922 0.03865 0.03060 1.65059 0.80543 0.63761 137.42 183.55 221.80 316.80 378.45 390.63 463.72 501.67 531.41 551.26 656.37 715.40 797.53 844.00 870.99 909.96 1044.98 1166.30 1200.43 1239.61 1292.79 1335.69 1360.00 1383.29 1424.74 1472.29 1494.74 1530.91 1558.22 1644.59 1654.54 1674.45 1711.27 1741.24 1766.34 1787.36 1814.57 1837.27 1909.90 1968.82 1991.72 2013.72 2016.72 2034.47 2104.63 2117.75 2166.56 2178.21 2236.54 2259.59 2311.19 2350.90 2359.86 2377.90 2404.35 2420.54 2678.08 2759.17 4519.11 4574.99 4612.94 4649.55 4691.63 4698.16 4733.38 4735.47 4773.54 4775.91 4847.73 5387.21 5415.38 5418.59 0.244004 0.253818 0.254763 0.209124 -528.489312 -528.479497 -528.478553 -528.524192 1.530740D-04 MUNgauss RevisionA2.1 retrievium 17-Nov-2022 GDB_13 Smiles: CC1NC(=N)NN2CCC2C=C1 RHF 6-31G(d) (6D,10F) C1 166.121847 |X|Y|Z| 14.760659 22.912817 34.606190 22.704538 10 6 7 7 3 |36.858105| |12.476653|36.858105| |7.556405|12.737690|53.358707| |5.932750|7.559601|18.174939|36.858105| |5.268431|5.595567|10.885535|15.210879|53.358707| |4.533485|5.855599|10.761245|13.421083|11.268768|53.358707| |4.319482|5.131892|7.748243|8.104763|8.817031|18.713535|53.358707| |3.285175|3.705751|5.442028|5.177091|6.386320|10.205141|17.845528|36.858105| |3.410330|3.759032|5.035506|4.395759|5.368085|7.650671|12.624543|12.256290|36.858105| |4.356617|5.237978|6.794058|5.786245|6.341879|10.534319|17.725915|9.075861|12.362155|36.858105| |6.278549|7.571280|8.139118|6.181499|6.666828|8.940723|11.197026|5.604093|6.870778|12.725287|36.858105| |7.430676|12.671350|11.012477|6.774333|6.722867|9.048032|8.914973|4.551098|4.934469|8.061469|14.391572|36.858105| |17.538309|8.825362|9.286031|5.261485|6.744728|5.384805|4.962748|2.869402|2.899843|3.558008|4.668954|5.464685|0.500000| |17.583339|8.755606|9.300077|6.414924|8.386337|6.556659|6.540651|3.614886|3.743817|4.654132|6.615411|6.668483|0.301670|0.500000| |17.553483|8.816007|7.505078|4.567445|5.602317|5.191081|5.172102|3.009790|3.251756|4.071055|5.940168|6.721026|0.301574|0.300755|0.500000| |8.916770|17.565558|12.560859|5.661700|6.046862|6.410459|5.596952|3.156086|3.204814|4.283179|5.677594|8.904886|0.217165|0.173484|0.211382|0.500000| |7.089466|9.234767|25.890564|9.530382|10.260239|8.092658|6.160236|3.397628|3.140175|3.982264|4.664106|5.863576|0.207561|0.175648|0.143419|0.223193|0.500000| |5.859668|5.679570|10.550511|10.204057|25.838221|8.187533|6.825774|3.819934|3.394483|3.978909|4.425027|4.593846|0.163894|0.191336|0.123063|0.127325|0.234550|0.500000| |4.288064|5.928879|10.582218|9.466602|8.336890|25.913606|12.975016|6.321468|5.126937|7.359777|6.263917|7.052031|0.104644|0.119632|0.102558|0.139655|0.160041|0.136858|0.500000| |3.031132|3.286089|4.895119|4.719963|6.338386|8.397585|12.084438|17.608746|8.352538|6.253575|4.559475|3.800324|0.075024|0.094266|0.076933|0.078327|0.087746|0.105460|0.141017|0.500000| |2.927427|3.376685|5.015817|4.560076|5.521084|9.142925|12.107951|17.481434|8.634234|7.296113|4.719829|4.117825|0.072212|0.086749|0.075073|0.082398|0.087778|0.093434|0.175434|0.298040|0.500000| |3.449639|3.593144|4.729170|4.122189|5.289232|6.582136|10.131864|8.660230|17.605660|8.651106|6.400703|4.504183|0.081397|0.108601|0.092279|0.084597|0.083602|0.094700|0.119153|0.210187|0.171934|0.500000| |2.950041|3.249219|4.305404|3.596688|4.417587|6.112888|8.639368|8.403753|17.618373|8.477549|5.448710|4.210887|0.070798|0.087661|0.079820|0.079577|0.075860|0.079395|0.120415|0.177997|0.211364|0.298118|0.500000| |3.868134|4.867255|6.372700|5.077801|5.480040|9.475666|12.165342|7.427246|8.805368|17.438098|8.909533|7.522749|0.090070|0.109191|0.101823|0.117119|0.104399|0.097065|0.215417|0.145669|0.201666|0.172806|0.216485|0.500000| |6.889984|6.757237|7.324959|5.744207|6.801103|7.576760|9.527965|5.092785|6.240643|8.642626|17.708397|9.056338|0.138816|0.228791|0.184103|0.140706|0.123261|0.129269|0.139033|0.123038|0.115617|0.184845|0.136546|0.171788|0.500000| |5.450467|8.829803|9.782600|6.024756|5.952626|8.991547|8.327371|4.478865|4.707118|7.560746|9.252434|17.662398|0.123097|0.136584|0.140211|0.218124|0.148073|0.111236|0.224734|0.101936|0.119265|0.113749|0.116320|0.238939|0.174249|0.500000| 528.220007 -2746.792043 1006.937781 -73.106779 -1284.741034 756.007720 -528.733315 2.000972 3D17400000000001 41A2B80F91FFFFFD 413A9F6019999995 40EAEC3FFFFFFFFF C033000000000000 419112C8CC000000