Version2.5 2023-01-07T00:58:34Z 10.1021/ja902302h Gaussian16 RevisionB.01 RPOIRIER 28-Dec-2022 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) GDB_13 Smiles: CC1N=CNC2C3CC(C)(N3)C12 RHF 6-31G(d) (6D,7F) CC1N=CNC2C3CC(C)(N3)C12 C1[X(C9H15N3)] 75 C1 210 CC1N=CNC2C3CC(C)(N3)C12 CC1N=CNC2C1C1(C)CC2N1 CC1N=CNC2C3CC(C)(N3)C12 InChIKey=YCWSJCLFQKLWRC-UHFFFAOYSA-N InChI=1S/C9H15N3/c1-5-7-8(11-4-10-5)6-3-9(7,2)12-6/h4-8,12H,3H2,1-2H3,(H,10,11) InChI=1/C9H15N3/c1-5-7-8(11-4-10-5)6-3-9(7,2)12-6/h4-8,12H,3H2,1-2H3,(H,10,11)/f/h11H CC1N=CNC2C3CC(C)(N3)C12 C01[X(C9H15N3)] 75 C1 210 CC1N=CNC2C3CC(C)(N3)C12 C[C@H]1NCN[C@@H]2[C@H]1[C@]1(C)C[C@H]2N1 C[C@H]1NCN[C@H]2[C@H]3C[C@](C)(N3)[C@@H]12 InChIKey=HPNPGIOMTZFEQD-DFTQBPQZSA-N InChI=1S/C9H17N3/c1-5-7-8(11-4-10-5)6-3-9(7,2)12-6/h5-8,10-12H,3-4H2,1-2H3/t5-,6-,7+,8+,9+/m1/s1 InChI=1/C9H17N3/c1-5-7-8(11-4-10-5)6-3-9(7,2)12-6/h5-8,10-12H,3-4H2,1-2H3/t5-,6-,7+,8+,9+/m1/s1 5.124421629206D+02 -2.750062493125D+03 776.6484241378 -512.8261495 1-A 1743.1431 45 165 210 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -15.57769 -15.54321 -15.52000 -11.29811 -11.26770 -11.26425 -11.25718 -11.24836 -11.23226 -11.21695 -11.20937 -11.20039 -1.29805 -1.26359 -1.17372 -1.05943 -1.00730 -0.98824 -0.96043 -0.90416 -0.84750 -0.80858 -0.75766 -0.73054 -0.69998 -0.68330 -0.65427 -0.63859 -0.61845 -0.59552 -0.57163 -0.56309 -0.53766 -0.52872 -0.52202 -0.51569 -0.50818 -0.48360 -0.47092 -0.45803 -0.44759 -0.42451 -0.39622 -0.38200 -0.32976 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.19757 0.21921 0.22677 0.24632 0.26824 0.28636 0.29403 0.29775 0.29945 0.30933 0.31625 0.33537 0.33722 0.34828 0.35478 0.36109 0.37946 0.38730 0.39265 0.40220 0.41257 0.42813 0.43811 0.44085 0.45777 0.49910 0.52556 0.55080 0.57057 0.60024 0.68805 0.71421 0.74943 0.75243 0.77854 0.78222 0.80523 0.82824 0.83791 0.85139 0.86155 0.87401 0.88390 0.90854 0.91130 0.93049 0.97361 0.98179 0.98787 0.99890 1.02056 1.02685 1.04922 1.05237 1.06347 1.09769 1.10154 1.11012 1.11479 1.13434 1.15106 1.15979 1.16273 1.17013 1.17526 1.18225 1.20163 1.20553 1.21121 1.22484 1.23488 1.25186 1.26262 1.28167 1.28752 1.31068 1.31781 1.34905 1.36925 1.40015 1.44544 1.45754 1.52486 1.54680 1.57242 1.61709 1.62662 1.66204 1.68833 1.69276 1.76343 1.80049 1.84111 1.88078 1.90893 1.94704 1.97874 2.01438 2.04759 2.06297 2.06653 2.08581 2.09519 2.12976 2.17244 2.21679 2.23229 2.25269 2.25748 2.26057 2.30329 2.32678 2.33667 2.34744 2.38077 2.39794 2.42020 2.45010 2.46217 2.49472 2.53101 2.53809 2.57406 2.60044 2.62125 2.63555 2.66232 2.67158 2.68431 2.72417 2.73814 2.75858 2.78741 2.79375 2.81459 2.84467 2.88941 2.89678 2.94178 2.98836 2.99707 3.02428 3.03632 3.06862 3.08722 3.11268 3.12455 3.17717 3.22607 3.26896 3.29253 3.40460 3.58964 4.31983 4.40319 4.51195 4.62374 4.68109 4.72080 4.81821 4.83621 4.90060 5.10445 5.27294 5.30789 14.34926 -0.4067 -2.1037 -1.0945 2.4060 |XX|YY|ZZ|XY|XZ|YZ| -84.1783 -66.5854 -71.3869 -5.8122 0.3295 -2.4740 |XX|YY|ZZ|XY|XZ|YZ| -10.1281 7.4648 2.6633 -5.8122 0.3295 -2.4740 |XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| 9.7137 -27.7102 -5.7188 7.0735 -6.5715 -2.7986 -7.4717 -3.7961 2.0925 -8.6995 |XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY| -1227.5172 -873.4201 -287.1326 -49.9139 -1.6936 -20.2301 -4.7071 10.1577 0.6954 -329.7957 -226.4560 -202.2739 -18.9171 11.0561 -2.7991 0 |0.65536952|0.02593399|0.56523289|0.00743398|-0.01752098|0.65973438|-0.10796388|0.04281030|0.01793804|0.56566115|0.03273874|-0.20849548|-0.03844730|-0.02317988|0.59306893|0.01047740|-0.03098572|-0.10295555|-0.04826619|0.00023588|0.61493796|-0.01458524|0.01054311|-0.01867650|-0.14695712|0.00707617|-0.06851183|0.29903492|0.03020640|-0.01393771|0.03664757|0.02913966|-0.10814054|0.04294958|-0.21640308|0.89050126|-0.00017793|0.00334498|0.00362543|-0.06266347|0.00951354|-0.17016079|0.15903995|-0.07021133|0.29849748|-0.00378198|0.00063481|-0.00530966|-0.00812719|0.03781501|-0.00521310|-0.16073672|0.14666730|-0.04720200|0.55072661|0.00025198|-0.00164111|0.00056099|0.02679202|-0.03073301|0.01649680|0.17099218|-0.66565156|0.06359493|-0.18600611|1.04473277|-0.00395768|-0.00125445|-0.00530233|-0.00517868|0.03821350|-0.00405075|-0.04568634|0.02185527|-0.11367736|0.30160767|-0.01524523|0.50636579|0.00048194|0.00051746|0.00036125|-0.01227304|-0.00096698|0.00045545|0.03893799|-0.00391593|0.00152044|-0.15793269|-0.03429796|-0.11091327|0.50200394|0.00121696|0.00095803|0.00117561|-0.01466284|0.01001216|-0.01258375|-0.00727458|-0.08191874|-0.04209540|-0.04475808|-0.25744093|-0.11159254|-0.05545970|0.89887767|0.00104569|0.00087313|0.00155907|-0.00629231|0.00477941|-0.00912436|0.00616536|-0.04409368|0.01732933|-0.09519321|-0.05814679|-0.16371195|0.29315107|0.03288361|0.32245610|-0.00619609|-0.00283697|-0.00129941|0.02113088|-0.02520670|0.00534933|-0.00207588|0.01482874|-0.00023912|-0.01466734|-0.02313888|-0.01021830|-0.21724449|0.02150458|-0.08790618|0.58384064|-0.00299876|-0.00023349|0.00022223|0.00090120|-0.02605315|-0.00370802|0.00767676|-0.00526203|0.00192399|-0.02733716|0.02569891|-0.00397138|-0.00027995|-0.13994611|-0.01258702|-0.02637317|0.54545974|-0.00320129|-0.00162291|-0.00013536|0.01129095|-0.01167954|0.00169644|-0.00126558|0.01403276|0.00195519|-0.02592372|-0.01682894|-0.02969897|-0.05258705|0.00228385|-0.09776591|0.00643899|0.09326067|0.66705473|0.00089755|0.00047789|0.00013047|-0.00283837|0.00112482|0.00055440|-0.00005595|0.00037815|0.00029300|-0.00161070|-0.00066175|0.00192623|-0.03171282|-0.01167417|0.00577407|-0.12416731|-0.03306468|0.04975320|0.47871305|-0.00109990|-0.00069121|-0.00036030|0.00351989|-0.00436892|-0.00044437|0.00021186|0.00168885|0.00053798|-0.00093636|-0.00370939|-0.00171538|0.00972437|0.00726397|0.00017061|-0.03068937|-0.11532612|0.01884018|-0.03790268|0.82514395|-0.00023568|0.00006218|0.00010007|-0.00094574|0.00022196|0.00044606|0.00113355|-0.00292051|-0.00091171|-0.00215191|0.00567977|0.00427434|-0.02282233|-0.01572268|0.00704920|0.04781259|0.02813763|-0.13047678|-0.02045625|-0.03476684|0.48497314|-0.00036834|-0.00000881|0.00008858|0.00148618|-0.00039808|0.00057691|0.00033483|-0.00012376|-0.00152020|-0.00174115|0.00068889|0.00117478|0.00256522|0.00088136|-0.00209155|-0.00368569|0.01174069|0.03708529|-0.08085291|0.00258126|0.02565271|0.70990038|0.00005513|-0.00017078|0.00004953|0.00033759|-0.00037506|-0.00056694|-0.00055618|-0.00014403|-0.00035129|-0.00046577|0.00097728|0.00112729|-0.00031131|-0.00004449|-0.00131737|0.00398254|0.00649306|0.00531479|-0.00646059|-0.12822702|-0.07013096|0.11892258|0.42318972|0.00002060|0.00003771|-0.00007974|0.00016431|-0.00042377|0.00220370|0.00315106|-0.00055116|-0.00138800|0.00071668|0.00349849|0.00037868|-0.00312517|-0.00115271|0.00175617|0.00600721|-0.00662464|-0.02658733|0.01471881|-0.05040159|-0.13918292|0.02300604|0.01932267|0.69877633|0.00145607|-0.00016308|-0.00020055|-0.01122048|-0.00229412|0.00446351|0.00175815|-0.00097112|0.00069319|-0.00050396|0.00294329|0.00046232|-0.00191099|-0.00134318|0.00034377|-0.02513606|0.02252618|0.00994754|-0.00829666|0.05376607|-0.00159198|-0.10052371|0.02485377|-0.02035971|0.55111253|0.00011913|0.00169053|0.00098027|-0.01467139|0.00174374|0.01462494|0.00092994|-0.00057684|-0.00056880|0.00003771|0.00110651|-0.00019797|-0.00354188|-0.00545684|0.00017167|0.03106882|-0.00434701|-0.02387311|0.03371052|-0.11436895|0.00697700|0.01491096|-0.10222030|0.04489763|-0.13345161|0.65744751|-0.00016277|0.00127010|0.00093570|-0.00833254|0.00732251|0.01355434|-0.00017214|-0.00087132|-0.00156302|-0.00007074|0.00053070|0.00091928|-0.00191518|0.00088479|-0.00038271|0.00530111|-0.00976421|-0.00408800|0.00211981|-0.00249895|0.01679721|-0.02115420|0.06662342|-0.13931240|-0.02309638|-0.01582609|0.50323312|-0.00104298|-0.00178486|-0.00027630|0.00051767|0.00021861|-0.00029088|0.00000202|-0.00014384|-0.00014280|0.00022129|0.00020410|0.00021335|0.00008523|0.00114652|-0.00017184|-0.00318156|-0.00079663|0.00287014|-0.00238258|-0.00157343|-0.00114865|-0.00396807|0.00454621|0.00212855|-0.17074446|0.08356872|0.01173909|0.60990087|-0.00018570|0.00028402|0.00036743|0.00077890|0.00118861|0.00059701|-0.00014390|-0.00037887|-0.00027141|0.00029636|0.00013957|0.00025187|0.00010089|0.00101780|-0.00017996|-0.00345875|-0.00028914|0.00329003|-0.00013297|-0.00793579|-0.00022020|0.00694426|-0.01017687|-0.00159488|0.06999619|-0.17435556|-0.01184384|0.04872358|0.61900345|0.00148137|0.00063123|0.00165994|-0.00038120|0.00023560|-0.00036632|-0.00000229|-0.00015225|0.00018314|0.00006957|0.00014907|-0.00017320|0.00019524|-0.00090647|0.00025777|0.00330632|0.00027285|-0.00164364|-0.00174181|0.00212297|-0.00538625|-0.01731463|0.01835307|0.01159487|0.00602384|-0.00857986|-0.10489187|0.00375870|-0.00006081|0.64589039|-0.00034420|0.00081810|0.00027384|-0.00285169|0.00408695|0.00716863|-0.00007358|-0.00240087|-0.00201041|0.00071021|0.00507705|0.00376379|-0.01491040|-0.00758010|0.00262060|-0.04840315|0.00397476|-0.02664752|-0.17074194|0.02146764|-0.02377973|-0.02082746|-0.00671463|-0.03373068|-0.08533998|-0.00859430|-0.00351413|0.01162250|0.01861918|0.01305270|0.39036226|0.00007748|0.00058296|-0.00004365|-0.00188190|0.00290833|0.00667567|-0.00158805|0.00218099|-0.00046017|0.00011898|-0.00432076|-0.00187388|0.00174082|0.00360915|0.00165598|0.00452091|-0.00125481|0.00220652|0.07899801|-0.09678623|0.01743719|-0.00799210|-0.00552153|-0.01367835|-0.05986083|-0.15620382|-0.01764242|-0.01132526|-0.02335518|-0.01430814|-0.01785493|0.38830735|0.00021057|-0.00025526|-0.00023592|0.00169476|-0.00095632|-0.00191101|-0.00002579|0.00092862|0.00135293|0.00090379|-0.00167824|-0.00119000|0.00448754|0.00324058|0.00134636|0.00933646|-0.00535759|0.00964740|-0.05846795|0.01473499|-0.11504316|-0.07902470|-0.02940464|-0.08177314|-0.02626592|-0.03402107|-0.10914087|-0.00008746|-0.00203655|0.00139582|0.10078793|0.03572590|0.75186068|0.01601766|0.00582414|0.00195062|-0.14906649|-0.04013382|-0.00446144|-0.01912061|-0.00808613|-0.01107103|0.00103568|-0.00404445|-0.00208847|-0.00911589|0.03672904|-0.00100611|-0.09915231|0.02151912|-0.00381162|0.00671495|-0.02045813|-0.00044264|0.00877322|-0.00129425|-0.00079919|-0.13330592|-0.00753144|0.02719537|-0.01290936|-0.00284500|0.00887452|-0.03205892|-0.03127196|0.01043656|0.53054378|-0.02672738|-0.02290418|-0.00340847|-0.04565320|-0.14389376|-0.00986131|0.00953102|0.01035611|-0.00176112|0.00266819|0.00506756|0.00251460|0.00503592|0.00153332|-0.00057187|0.02125806|-0.16084782|-0.00073823|-0.01396599|-0.03616762|0.01000185|-0.00872594|-0.00280346|0.00651740|0.00534649|-0.08849592|-0.00024951|0.02107759|0.01134120|-0.01321672|-0.02867191|-0.02953017|0.01444464|0.04232862|0.54785727|-0.00394936|-0.00575080|0.00067707|-0.01704751|-0.01645007|-0.10300182|-0.02847586|-0.01597172|-0.01118506|-0.00061583|-0.00412189|0.00155936|-0.00352120|0.01911414|-0.00128579|-0.00435748|-0.00213341|-0.09480133|-0.00360884|0.02351705|-0.00472006|0.02954339|0.01820612|-0.02535381|0.04280212|0.01515691|-0.12007442|-0.00073648|-0.00146211|0.00124007|-0.01568140|-0.01520838|0.00813541|0.05847334|-0.06385578|0.64205458|-0.23886903|-0.14420582|-0.00547702|0.01028506|0.01083668|0.00057409|0.00113447|-0.00014809|0.00040006|0.00029050|0.00004850|0.00035416|0.00015407|-0.00002962|-0.00009840|0.00038382|0.00045113|0.00029187|-0.00006607|0.00007477|-0.00000430|0.00003761|-0.00003382|-0.00007177|-0.00020991|0.00062451|0.00017674|-0.00030769|0.00022274|0.00044439|0.00018795|-0.00013228|-0.00006121|-0.00061287|0.00245108|-0.00011747|0.25593443|-0.13939858|-0.16889626|-0.00300190|-0.03072633|-0.02371091|-0.00130678|-0.00033147|0.00333378|-0.00072438|-0.00002372|-0.00081523|-0.00045686|0.00024247|0.00089537|0.00074998|-0.00217244|-0.00047806|-0.00118234|0.00031063|-0.00034808|-0.00008674|-0.00016563|0.00004575|-0.00001375|0.00079331|0.00021175|-0.00019101|0.00023916|-0.00006889|-0.00002156|-0.00034499|-0.00021458|0.00013316|0.00543897|-0.00545264|-0.00027148|0.15419080|0.18253019|-0.00499478|-0.00317881|-0.05954641|-0.00741898|-0.00664096|-0.00112806|0.00039325|0.00074721|-0.00020126|-0.00007878|-0.00000008|-0.00012617|0.00005286|-0.00002615|-0.00003806|-0.00057931|-0.00015501|0.00004016|0.00014316|-0.00014635|-0.00003193|-0.00009514|-0.00005467|0.00004641|0.00016104|-0.00029710|-0.00028965|0.00007462|-0.00028833|-0.00062138|-0.00018917|0.00003289|0.00007749|0.00129310|-0.00201677|0.00044458|0.00471185|0.00691155|0.05703395|-0.17666174|0.05908148|-0.12522021|-0.00652619|-0.00126265|-0.00825797|-0.00050550|0.00438114|-0.00013286|-0.00031044|-0.00076001|-0.00070846|0.00021128|0.00055870|0.00060124|-0.00021368|0.00012492|-0.00000141|0.00000409|-0.00008796|0.00007578|-0.00006138|-0.00002328|-0.00002722|0.00005076|0.00017175|0.00014783|-0.00041601|-0.00021863|-0.00006299|0.00021686|0.00008219|-0.00005176|0.00016462|-0.00040079|-0.00043325|-0.01740010|0.01072758|-0.02042026|0.18794558|0.05672210|-0.09078357|0.05958141|0.01952581|-0.00384107|0.02786412|0.00430215|-0.00888364|-0.00175268|0.00195646|0.00130435|0.00215455|-0.00054927|-0.00069237|-0.00094796|0.00069815|0.00011670|0.00018548|-0.00007566|0.00019833|-0.00004389|0.00015197|0.00009589|0.00007456|-0.00000846|-0.00050589|-0.00005619|-0.00000528|-0.00014768|0.00030594|-0.00029413|0.00006777|-0.00000103|-0.00029842|0.00108632|0.00100175|-0.01374045|0.00977710|-0.01804414|-0.06533229|0.09213115|-0.12513230|0.06224314|-0.19719895|0.00670820|-0.00250889|0.00612814|-0.00040803|-0.00083369|0.00088332|0.00029496|-0.00123047|0.00037682|0.00030438|0.00050766|0.00045355|0.00006505|0.00018375|-0.00001175|-0.00002115|-0.00005482|-0.00000679|-0.00007201|-0.00009356|-0.00008926|-0.00042913|0.00045254|-0.00006701|-0.00046367|0.00001126|0.00012439|0.00031570|-0.00011040|0.00004649|-0.00045298|0.00021745|0.00006826|0.00044795|-0.00139867|0.00034783|0.14157842|-0.06827599|0.20929371|-0.11590115|0.00330338|0.11621324|-0.00618525|-0.00013309|0.01130197|0.00116756|-0.00125447|-0.00047330|0.00000420|0.00059031|0.00011928|-0.00019522|-0.00042726|-0.00032997|0.00019120|-0.00009739|0.00019703|-0.00005059|0.00002633|0.00007610|0.00016687|0.00000788|0.00008760|0.00024530|0.00000523|0.00038193|-0.00122422|-0.00019746|0.00013417|0.00008582|0.00026557|-0.00009777|0.00022214|-0.00000166|-0.00117748|-0.01241632|0.00135360|0.02732297|0.01343848|-0.00172930|-0.02295695|0.12301330|0.00250834|-0.05939917|-0.00397923|0.01831444|0.00072093|-0.03520416|-0.00272078|0.00305198|0.00040649|-0.00025153|-0.00048104|-0.00034687|-0.00000851|0.00027332|0.00036461|0.00006911|0.00018439|0.00024694|0.00016449|-0.00003054|-0.00005455|-0.00019970|-0.00012472|0.00013529|-0.00033244|-0.00046605|-0.00041687|-0.00072190|-0.00036220|0.00010947|-0.00015166|0.00003363|0.00016721|0.00035682|0.00187492|0.00037193|-0.00940218|0.00131224|0.02233643|-0.00673031|-0.00020686|0.01029151|-0.00314869|0.06066405|0.11614919|-0.00754283|-0.29333428|0.00249988|0.00141489|-0.00688739|-0.00083471|-0.00038545|0.00184552|0.00018060|0.00051513|0.00063881|-0.00026615|-0.00001496|-0.00020935|-0.00017448|-0.00000463|0.00021390|0.00017817|0.00003565|-0.00005417|-0.00014413|0.00000812|0.00014348|0.00042779|-0.00102162|-0.00054003|0.00067185|-0.00054968|-0.00129778|-0.00053157|0.00013359|0.00010027|0.00043497|-0.00010297|-0.00010131|-0.00070604|0.00098556|0.00258180|0.01156172|-0.00060699|-0.02118275|-0.13044831|0.00714025|0.31479505|-0.00703822|-0.00043790|0.01212342|-0.14305492|-0.00855379|0.12568505|0.01145828|0.00827131|-0.02631040|0.00071987|-0.00359159|-0.00586837|0.00193125|0.00002807|0.00213585|-0.00016118|0.00113115|-0.00102638|-0.00060059|0.00058125|-0.00014677|0.00001142|0.00030200|-0.00047752|0.00084478|-0.00295120|-0.00362020|0.00018646|-0.00016896|0.00017796|-0.00189967|-0.00221661|0.00070932|-0.02155329|-0.00487719|0.02322826|0.00144280|-0.00021669|-0.00080999|-0.00027811|-0.00019483|-0.00031429|0.00011445|0.00308226|-0.00005172|0.15911459|0.02168331|-0.00054330|-0.03328554|-0.00880006|-0.06170686|0.01341036|-0.00327371|-0.00285512|0.01537737|0.00033494|0.00216685|0.00404219|0.00021839|0.00122452|-0.00153358|-0.00052092|0.00071570|0.00099988|-0.00033449|0.00087112|-0.00041373|0.00018982|0.00030778|-0.00014047|0.00014456|-0.00237686|-0.00332693|-0.00009747|-0.00043804|-0.00000906|-0.00225627|-0.00171715|0.00045080|-0.02130845|-0.00339105|0.02135298|-0.00054694|0.00203174|0.00007855|-0.00033312|0.00119807|0.00103752|0.00308109|-0.00727045|-0.00168563|0.01033873|0.07038318|0.00597152|-0.00076010|-0.00637767|0.12735823|0.01299260|-0.23553953|0.00075796|0.01516211|-0.03282816|-0.00087201|-0.01115445|-0.00562419|0.00272740|0.00397470|0.00360197|0.00006487|0.00082902|-0.00129430|0.00008456|0.00007682|0.00035736|-0.00057773|-0.00010548|0.00004466|-0.00031703|-0.00099677|0.00099348|0.00002463|-0.00013882|-0.00003321|0.00024454|-0.00026451|-0.00012845|-0.00660275|-0.00135841|0.00531413|-0.00058536|-0.00023231|0.00015840|0.00034449|-0.00057447|0.00039990|0.00034886|-0.00183239|0.00099258|-0.12727027|-0.01572961|0.26611150|0.00024254|-0.00015089|0.00012790|0.00978886|0.00168234|-0.00446696|-0.00574794|0.00991671|-0.00347396|-0.20579091|0.05518708|-0.13880794|-0.00581012|0.00249147|-0.01438132|0.00299453|-0.00123680|-0.00379251|0.00048766|0.00006787|0.00009259|-0.00022201|-0.00021025|-0.00010243|0.00019396|0.00010227|-0.00005530|-0.00003815|-0.00004387|0.00006776|-0.00021400|-0.00006111|0.00012506|0.00059304|-0.00113584|0.00079663|-0.00002367|0.00006878|-0.00000513|-0.00005758|-0.00001611|0.00006105|0.00002049|0.00004333|0.00011418|-0.00141239|0.00072769|-0.00169731|0.20731771|0.00095924|0.00004784|0.00143308|0.00238999|-0.00237421|-0.00394729|0.03046496|-0.02220553|0.03006662|0.05871360|-0.08789191|0.05216274|-0.02514932|0.00781701|-0.02099098|0.00230220|-0.00304278|-0.00376779|0.00021275|0.00013303|-0.00011111|0.00001892|-0.00008863|-0.00004611|-0.00021283|-0.00007586|0.00013845|-0.00000161|0.00000833|-0.00001240|-0.00015799|0.00031947|0.00002947|0.00030329|-0.00103568|0.00063032|-0.00008208|-0.00001479|-0.00001502|0.00021886|-0.00065929|-0.00010382|0.00004546|-0.00002064|-0.00012667|-0.00037071|0.00003024|0.00019145|-0.06761592|0.10694878|-0.00045340|0.00017129|-0.00064877|-0.00799671|-0.00247229|0.00881003|0.00322114|0.00821253|0.00321101|-0.13809771|0.04922701|-0.19383411|-0.02366238|0.00460349|-0.00955634|0.00253835|-0.00423724|0.00108215|-0.00024881|0.00033081|-0.00083486|-0.00007346|-0.00011437|0.00001285|0.00016056|0.00002873|-0.00028335|-0.00001243|-0.00004171|0.00004843|-0.00051589|-0.00005141|0.00031060|-0.00000794|0.00129265|-0.00066426|0.00005122|-0.00000550|0.00005627|-0.00003363|0.00022373|-0.00001860|-0.00003219|-0.00002426|-0.00006135|0.00151378|-0.00074127|0.00136430|0.16430352|-0.05543844|0.19157632|0.00023032|0.00006461|0.00014207|-0.00170350|0.00023557|-0.00091362|0.00256834|-0.00427537|-0.00672189|0.00572011|-0.01403682|0.01461782|-0.08596747|0.09608799|-0.06521673|-0.00606973|0.03670980|-0.00619881|0.00068060|0.00167831|0.00018464|-0.00056911|-0.00004568|0.00048892|0.00027546|0.00113135|-0.00032278|-0.00037999|-0.00036063|0.00031396|0.00049412|-0.00075586|0.00019001|-0.00439424|-0.00288002|-0.00342549|-0.00001469|0.00006887|0.00001190|0.00008961|-0.00017219|0.00009542|-0.00007250|0.00005569|0.00003731|0.00002849|0.00019016|0.00046190|-0.00112226|-0.00086275|0.00035435|0.09064693|0.00005743|0.00001848|-0.00002420|-0.00059565|0.00075269|-0.00001745|-0.00323298|-0.00124070|-0.00550293|0.01169548|-0.02420571|0.01559199|0.10781418|-0.45009078|0.09345405|-0.00188290|0.00462648|0.00050349|-0.00000717|0.00176637|-0.00056211|0.00023355|-0.00006587|-0.00006975|-0.00005899|-0.00009198|0.00000466|-0.00002933|-0.00001647|0.00006470|-0.00047302|-0.00012777|0.00001680|-0.00120286|0.00096929|-0.00008373|0.00001089|0.00004730|-0.00000698|0.00001829|-0.00000200|0.00001491|-0.00002988|0.00000970|0.00000438|-0.00006914|-0.00005709|0.00005319|-0.00026888|0.00152313|-0.00072901|-0.11267420|0.46663584|0.00006787|0.00000921|0.00006334|-0.00033069|-0.00035330|-0.00066625|-0.00619359|-0.00342292|-0.00044355|0.01477253|-0.03223144|0.00479387|-0.07420581|0.12345676|-0.06597536|0.00214441|0.01561303|-0.00215434|0.00059258|-0.00070163|0.00090615|0.00036458|-0.00005089|-0.00012981|-0.00008553|0.00044013|-0.00023052|-0.00009856|-0.00015135|0.00003772|-0.00031908|0.00004408|-0.00039420|-0.00241274|-0.00087168|-0.00140225|0.00001938|0.00011162|0.00000480|0.00002466|-0.00001877|-0.00001347|0.00001274|-0.00001727|-0.00003619|0.00015544|-0.00017060|-0.00023430|0.00123243|0.00038177|-0.00011413|0.06528161|-0.10238708|0.06699631|0.00032011|0.00014537|0.00014898|-0.00140377|0.00103188|-0.00035346|0.00102126|-0.00221951|0.00036873|-0.00248122|0.00793134|-0.00369212|-0.01261181|-0.02244851|-0.04108632|-0.05939704|0.00934177|0.02258002|-0.00107236|0.01231820|0.02367573|-0.00469153|-0.00275282|0.00246096|0.00020310|0.00137037|0.00080035|-0.00023365|-0.00029973|0.00008770|0.00338772|-0.00116171|0.00008739|-0.00017105|0.00372975|0.00722958|-0.00000861|0.00014330|-0.00000445|0.00005216|-0.00010809|0.00002817|-0.00002537|-0.00002363|-0.00003596|0.00014983|-0.00006184|0.00016625|-0.00140430|-0.00153921|-0.00073618|0.00047138|0.00050249|-0.00024359|0.07711908|-0.00121052|-0.00048642|0.00008691|0.00385681|-0.00200018|-0.00006752|-0.00019769|0.00094966|-0.00000851|0.00023165|-0.00029454|0.00007407|-0.00084319|0.00594101|0.00297196|0.00566356|-0.11061604|-0.10550160|-0.00197072|0.01060716|0.01831727|-0.00333109|-0.00168502|0.00205463|0.00030938|-0.00604445|0.00053346|0.00093119|0.00100595|-0.00073800|0.00173290|0.00029344|-0.00035819|0.00221286|-0.01160046|-0.03047104|0.00004021|-0.00043993|-0.00010031|0.00004226|0.00004576|0.00002833|0.00002600|0.00009847|0.00001456|-0.00041877|-0.00023611|0.00018186|0.00014604|0.00005432|-0.00008659|-0.00056103|-0.00020603|-0.00021866|-0.00803962|0.11146209|0.00008837|0.00010324|-0.00000977|-0.00044188|0.00066813|-0.00014457|0.00061860|-0.00122866|0.00031460|-0.00042399|0.00539542|-0.00088797|-0.01196058|-0.00850865|-0.01169525|0.02008732|-0.10512424|-0.29318789|0.00035808|-0.01117177|-0.01958308|0.00340463|0.00320593|-0.00133648|-0.00025613|0.00140939|0.00003644|0.00007906|0.00004330|0.00019839|-0.00017844|0.00035248|0.00213126|-0.00087132|0.00382853|0.00594054|-0.00001513|0.00004739|-0.00001817|0.00003184|-0.00003835|0.00001879|-0.00000556|-0.00000328|-0.00001006|0.00002108|-0.00008500|0.00018822|-0.00052788|-0.00079228|-0.00035473|-0.00034899|-0.00003146|-0.00112623|-0.01127876|0.11317606|0.31689584|-0.00048960|-0.00017004|-0.00006675|0.00122009|-0.00093744|0.00012358|0.00004720|0.00011107|0.00002408|-0.00000281|0.00014825|-0.00019770|0.00188077|0.00093804|-0.00010719|0.00542393|-0.02654329|0.00044230|-0.06413778|-0.00951301|-0.00089729|-0.00137411|0.00266762|0.00095698|-0.00495608|0.00337728|-0.00210379|0.00167109|0.00169128|0.00058421|0.00349565|0.02869609|0.00041441|-0.00383710|-0.00141580|0.00329770|0.00006243|-0.00017703|-0.00008104|-0.00000252|0.00002102|0.00003777|0.00000984|-0.00005698|-0.00009428|0.00012932|0.00009988|0.00000615|-0.00005278|-0.00003295|-0.00004280|-0.00063092|0.00027555|-0.00028444|0.00069587|0.00125959|-0.00003446|0.06058361|-0.00014717|-0.00002505|-0.00006371|0.00054750|-0.00011557|0.00022954|-0.00034980|0.00050500|0.00003310|-0.00014534|-0.00061202|-0.00016705|-0.00117604|0.00090738|-0.00026158|0.00374759|-0.00658898|-0.00110543|-0.00458316|-0.34615795|0.03886156|-0.00100943|-0.00858484|0.00589026|0.00368607|-0.00424959|-0.00092775|-0.00077310|-0.00031582|0.00081669|0.00199393|-0.00488902|0.00054305|-0.00035705|0.00051593|0.00079907|-0.00003436|-0.00008345|-0.00000718|0.00000122|0.00004872|-0.00001469|0.00002410|0.00002134|0.00003469|-0.00008956|-0.00004760|-0.00001062|-0.00004223|0.00001815|-0.00007256|-0.00096637|-0.00032144|-0.00013925|-0.00049298|0.00027997|0.00092572|-0.00092866|0.37162647|0.00041812|0.00008267|-0.00000237|-0.00071032|0.00058230|-0.00023396|-0.00015709|0.00018516|0.00022390|0.00014155|-0.00056725|-0.00021124|0.00027171|-0.00025795|0.00008271|-0.00297976|0.01815456|0.00032706|0.00021868|0.03446202|-0.07256712|-0.00176415|-0.02153897|0.01319638|0.00020821|-0.00293196|-0.00444646|0.00052875|-0.00007112|0.00257924|0.00241974|0.01342766|0.00085674|0.00323773|0.00133256|-0.00121083|-0.00004213|0.00013797|0.00006300|-0.00001099|-0.00002345|-0.00000802|-0.00003117|0.00005816|0.00007026|-0.00004377|-0.00002728|-0.00002683|0.00003420|0.00001530|0.00004467|0.00026865|-0.00010788|0.00039360|-0.00067743|-0.00076883|0.00022300|-0.00126203|-0.04464516|0.06102630|0.00003079|0.00003097|0.00002383|-0.00022725|0.00031755|-0.00033753|-0.00082213|-0.00004555|0.00043339|0.00052261|-0.00045504|0.00021376|0.00005608|-0.00015965|0.00006761|0.00026200|0.00156819|0.00084311|-0.00729171|-0.00287238|0.00457633|-0.23968217|-0.06536024|0.13336158|0.00904237|0.00190971|-0.00749185|0.00071648|-0.00015934|0.00050292|0.00118120|0.00092281|-0.00338350|-0.00034559|0.00097674|-0.00267848|-0.00000912|0.00000108|-0.00000110|0.00003383|-0.00005654|0.00002474|-0.00001326|0.00001190|-0.00000545|0.00006625|-0.00005977|0.00010492|-0.00001162|0.00000334|-0.00002485|0.00009556|-0.00004921|-0.00005363|-0.00035468|-0.00033249|0.00044594|0.00036885|0.00035535|-0.00019745|0.25288349|-0.00004748|0.00006327|0.00002724|0.00034371|0.00032795|-0.00009721|-0.00059926|0.00054547|0.00005183|-0.00011498|-0.00132614|-0.00032159|0.00004537|0.00043516|0.00077364|-0.00089301|-0.00402697|-0.00635225|0.02364681|0.01073831|-0.01917972|-0.06563547|-0.07494379|0.04661718|-0.02381615|-0.00643159|0.01721031|-0.00106960|0.00107827|-0.00138317|0.00105980|-0.00135916|-0.00071538|0.00346726|-0.00280270|0.00502859|0.00000730|-0.00005737|-0.00001641|0.00000220|0.00000772|0.00002521|0.00000556|0.00000453|-0.00003696|-0.00012967|-0.00011017|-0.00009190|0.00004299|0.00007996|0.00001513|-0.00000476|0.00002246|0.00001049|0.00159635|0.00115496|-0.00120173|-0.00004614|0.00070926|0.00185261|0.06952190|0.07809008|0.00015954|-0.00002102|-0.00000695|-0.00036778|0.00003262|-0.00037666|-0.00050845|0.00025459|0.00063112|0.00000870|-0.00086329|-0.00028375|0.00018049|0.00003445|0.00090214|-0.00193366|-0.00157608|-0.00439061|0.01520933|0.00914747|-0.01116252|0.12614228|0.04399634|-0.15827839|0.01830182|0.00247080|-0.01138731|0.00073860|-0.00043775|0.00096141|0.00081442|0.00035568|0.00172345|-0.00206433|0.00028927|-0.00400943|-0.00000908|0.00008212|0.00002763|0.00000390|-0.00003438|-0.00000028|-0.00003669|0.00003709|0.00005034|0.00009257|0.00004472|0.00013616|0.00008047|0.00002060|0.00005471|0.00008976|0.00002212|0.00002194|0.00100163|0.00067330|-0.00070563|-0.00010772|-0.00032500|0.00088941|-0.14275721|-0.04966166|0.16952501|0.00008582|-0.00003764|-0.00020559|0.00022291|-0.00016683|-0.00054572|-0.00228705|0.00001929|0.00110226|-0.00320363|-0.00117471|0.00284658|-0.00031428|-0.00020205|-0.00002523|0.00020948|-0.00035399|-0.00092971|0.00898577|0.00116495|0.00321281|-0.25127792|-0.06914111|-0.12890084|-0.00556228|-0.00423873|0.00164061|-0.00021182|-0.00012045|-0.00074208|0.00093302|0.00002063|-0.00153364|0.00049299|0.00003450|0.00018922|-0.00000503|0.00000180|0.00004361|-0.00001509|-0.00001693|0.00006878|-0.00005112|0.00007738|0.00004844|0.00002939|0.00010709|-0.00002657|0.00008229|0.00007276|-0.00010150|0.00000340|0.00005054|0.00000901|0.00018583|0.00014749|-0.00014684|-0.00004025|0.00012293|-0.00005197|-0.01799754|-0.00683030|-0.01482919|0.26849977|-0.00003735|0.00003088|0.00013951|-0.00031735|0.00006440|0.00042216|-0.00048110|-0.00130664|0.00020709|-0.00026417|0.00220837|0.00078267|-0.00022099|-0.00074720|-0.00011391|-0.00082773|0.00058601|0.00111657|-0.02066945|-0.00247153|-0.00188011|-0.07008320|-0.09320900|-0.04990523|0.01834844|0.01195067|0.00396238|-0.00019842|0.00049614|0.00102512|0.00015061|0.00092760|-0.00077908|0.00022345|0.00099471|-0.00177958|0.00000155|0.00002460|-0.00003639|0.00001070|0.00001907|-0.00007792|0.00005827|-0.00017632|-0.00000650|-0.00002218|-0.00006776|-0.00001659|0.00014785|-0.00000459|0.00007737|0.00011691|-0.00011661|-0.00030106|-0.00017321|-0.00013397|0.00010904|0.00002747|-0.00082218|-0.00099993|-0.00617731|-0.00191934|-0.00482367|0.08037874|0.08194174|0.00012119|0.00003586|-0.00003763|-0.00006791|0.00058389|-0.00119582|-0.00126968|0.00060734|0.00092372|0.00188332|-0.00168792|-0.00032503|0.00062986|0.00031778|0.00110261|-0.00150240|-0.00055298|-0.00020772|-0.01532410|0.00202659|-0.00587875|-0.12234389|-0.04673789|-0.15067369|-0.01200849|-0.01220272|-0.00614947|0.00040834|0.00000745|-0.00071438|-0.00283808|-0.00086823|-0.01096621|-0.00043447|0.00008801|0.00087407|-0.00000207|0.00002383|0.00002982|0.00004084|-0.00010628|0.00008367|-0.00005342|0.00009268|0.00001268|0.00018408|0.00000095|0.00012019|0.00001465|0.00007538|0.00000128|0.00020479|-0.00006583|-0.00013268|0.00000868|0.00004916|0.00019659|0.00017569|-0.00061177|-0.00054634|0.01641269|0.00627328|0.01566113|0.13867790|0.05311500|0.15843586|-0.00168861|-0.00077073|0.00035177|-0.00034960|0.00034338|0.00008102|0.00016110|-0.00032984|-0.00005647|0.00001275|0.00042347|0.00014880|-0.00019453|-0.00025117|-0.00018528|0.00023666|0.00002998|-0.00018129|0.00079913|0.00062983|0.00060130|0.00090848|-0.00087474|-0.00083448|0.01391154|0.01715295|0.01874439|-0.09327952|-0.07047121|-0.06167642|-0.00297735|0.00367632|0.00024261|0.00023606|-0.00078641|0.00009739|-0.00003961|0.00004769|0.00000089|0.00002571|-0.00005241|-0.00019628|-0.00245771|-0.00113520|0.00051207|0.00006251|-0.00014919|-0.00004021|0.00000924|-0.00003377|0.00000622|0.00001089|-0.00000490|-0.00000132|0.00000059|-0.00009169|-0.00003044|-0.00041930|0.00008173|-0.00036654|-0.00004088|0.00001169|-0.00014338|-0.00008205|0.00000341|-0.00016673|0.09734220|-0.00110878|-0.00084195|-0.00084130|0.00043476|-0.00033223|-0.00046668|-0.00012472|0.00042373|0.00017100|-0.00008904|-0.00062853|-0.00029924|0.00047060|0.00036131|0.00026587|-0.00005981|-0.00010078|0.00022049|-0.00070540|-0.00053443|-0.00133242|-0.00055558|0.00083847|0.00094923|-0.01514103|-0.01631751|-0.01666095|-0.06796666|-0.20940090|-0.12974277|0.00490304|-0.00327551|0.00000303|0.00026096|0.00015046|0.00024236|-0.00034753|0.00007768|0.00044003|-0.00003837|0.00000760|-0.00000398|-0.00168195|0.00006644|0.00113084|0.00002760|0.00013357|0.00002703|0.00001305|0.00002350|0.00001542|-0.00001195|0.00001462|0.00002235|-0.00000343|0.00000226|0.00003703|0.00053028|-0.00017590|0.00037403|-0.00001715|-0.00025113|0.00015461|0.00029849|-0.00023070|0.00030457|0.07864555|0.22540113|-0.00031665|-0.00052439|-0.00053272|0.00024209|-0.00076726|-0.00011037|-0.00009761|0.00058706|0.00001799|-0.00013037|-0.00049730|-0.00023286|0.00024818|0.00021992|0.00021179|-0.00003094|-0.00003659|0.00001243|-0.00007331|-0.00023377|0.00020283|0.00056710|-0.00038409|0.00033664|-0.00158544|0.00013670|-0.00248740|-0.05932638|-0.12962406|-0.16905585|0.00073345|0.00090673|0.00157322|-0.00006096|-0.00024365|-0.00025588|-0.00047002|0.00014378|0.00033758|0.00018116|0.00014666|-0.00059861|-0.00039214|-0.00010686|0.00145917|-0.00005547|0.00018754|0.00003998|-0.00000726|0.00004705|-0.00000530|0.00000784|0.00001329|0.00003007|0.00003246|0.00003282|-0.00000883|0.00016645|-0.00009229|-0.00003104|0.00008105|-0.00001413|0.00003508|0.00003805|-0.00020859|0.00020456|0.06801708|0.14315256|0.17670657|-0.00014671|0.00019507|-0.00051086|-0.00025476|0.00020092|0.00000845|0.00011647|-0.00027240|0.00014651|0.00010833|0.00026077|0.00008862|-0.00016776|-0.00038145|0.00000930|0.00056119|0.00008767|-0.00006902|-0.00009520|0.00094180|-0.00104723|-0.00216707|0.00243808|0.00319851|-0.00605421|0.00931875|-0.02792841|-0.07140211|0.02411754|-0.04987892|0.00069836|-0.00035606|0.00080422|0.00071424|-0.00069339|-0.00116052|0.00015403|-0.00007277|0.00014406|-0.00020425|-0.00037247|0.00028467|-0.00000058|0.00008337|0.00005281|-0.00001682|-0.00003222|0.00002351|0.00001636|-0.00003215|0.00001289|0.00010579|0.00000344|-0.00001687|-0.00003294|-0.00007366|0.00004162|-0.00003918|0.00032149|0.00060815|0.00017966|0.00006239|-0.00015985|-0.00006273|0.00016366|-0.00024476|-0.00299603|0.00586016|-0.01119074|0.07128961|0.00011555|-0.00007666|-0.00003079|0.00013125|-0.00001523|-0.00011931|-0.00002302|0.00007133|-0.00007917|-0.00010811|-0.00015472|-0.00002952|0.00010571|0.00023722|-0.00007303|-0.00053247|-0.00016605|-0.00007236|0.00059697|-0.00065053|0.00125280|0.00302665|-0.00197515|-0.00278685|0.00481051|-0.01058253|0.02893746|0.02455622|-0.10716053|0.10247442|-0.00126207|0.00100045|-0.00102885|-0.00092315|0.00095075|0.00048960|0.00002109|-0.00001892|0.00000999|-0.00030865|-0.00000064|0.00006169|0.00004861|0.00009548|-0.00004236|0.00004688|0.00005965|0.00000491|-0.00001038|0.00000725|-0.00000362|-0.00008617|-0.00000074|0.00003085|0.00006806|0.00004012|-0.00007883|-0.00002390|-0.00029573|-0.00055348|-0.00019610|0.00039793|-0.00021605|0.00038811|-0.00060971|0.00025491|-0.00509473|0.01436471|-0.02495336|-0.02971677|0.11084115|-0.00017557|0.00031017|-0.00087149|0.00001999|0.00021004|0.00011368|0.00001935|-0.00022194|0.00006934|0.00009362|0.00012042|0.00008090|-0.00011518|-0.00010995|-0.00004262|0.00003951|0.00026416|0.00032061|-0.00000164|0.00032699|0.00030774|0.00121569|-0.00138492|0.00129045|0.00138785|-0.00281335|0.00513070|-0.05159854|0.10246849|-0.28017533|-0.00059401|0.00110588|0.00052027|0.00012294|0.00013392|0.00044560|0.00011788|-0.00013278|0.00023736|0.00025534|-0.00020039|0.00054804|-0.00003587|0.00009690|0.00013502|-0.00005480|-0.00003749|-0.00000146|0.00000136|-0.00002033|-0.00000240|0.00002046|-0.00000445|-0.00002136|-0.00007077|0.00002741|0.00001959|-0.00018171|0.00005030|-0.00000975|0.00000265|-0.00021973|0.00009711|-0.00001760|-0.00001931|-0.00000551|-0.00362015|0.00986404|-0.01961818|0.05634781|-0.11476555|0.30251424|-0.00010474|-0.00009406|-0.00040940|0.00038309|0.00013326|0.00026280|-0.00017881|0.00008734|-0.00013319|0.00013037|-0.00019010|0.00003749|0.00007996|0.00055299|0.00001048|-0.00093317|-0.00051989|0.00108622|0.00026158|-0.00038123|-0.00028376|0.00007010|-0.00105870|0.00020843|-0.02460448|-0.01194307|0.01123188|-0.26506478|-0.09262022|0.09194347|0.00292416|-0.00094452|-0.00028769|-0.00022016|0.00441820|-0.00179725|-0.00007290|-0.00002893|0.00011429|0.00005808|-0.00000895|0.00000063|-0.00005484|-0.00003122|0.00027593|-0.00016321|-0.00009214|-0.00003585|-0.00003694|0.00003092|-0.00003164|-0.00012315|-0.00002900|-0.00004910|-0.00009016|0.00045804|-0.00006303|0.00018675|0.00003251|-0.00006029|0.00013875|0.00079611|-0.00073323|0.00019147|-0.00004441|-0.00007954|-0.00897901|-0.00389941|0.00368022|0.00967390|0.00368487|-0.00258568|0.28634804|-0.00013623|-0.00046449|-0.00013697|-0.00011328|-0.00057775|-0.00016580|-0.00004372|0.00034818|0.00003626|-0.00013020|-0.00024040|-0.00013979|0.00006604|-0.00031071|0.00012159|0.00121149|-0.00012072|-0.00093532|0.00061406|0.00071615|-0.00006473|-0.00040292|0.00118452|-0.00031654|0.02755221|0.01089379|-0.01275940|-0.09721097|-0.10114859|0.04388506|-0.00054492|0.00204743|-0.00009374|0.00195518|-0.00439317|0.00067543|-0.00029136|0.00014646|0.00012966|-0.00005303|0.00014508|-0.00034289|-0.00005675|0.00003462|0.00053025|0.00005497|0.00018409|0.00004897|0.00000723|0.00002000|0.00000378|0.00014620|0.00000921|0.00003298|0.00010064|-0.00032402|-0.00006132|-0.00025943|0.00005313|0.00004241|-0.00004633|-0.00016617|0.00034442|-0.00009194|0.00000082|0.00001885|-0.02142894|-0.00912280|0.01181136|-0.01246371|-0.00595593|0.00454026|0.10176069|0.10709310|-0.00027321|-0.00006623|-0.00070794|-0.00002599|-0.00020233|-0.00006330|0.00007722|0.00002578|0.00004931|-0.00005191|0.00001175|-0.00001863|-0.00004091|-0.00031261|0.00002623|0.00036219|0.00039312|-0.00008642|0.00004021|-0.00010799|0.00046343|-0.00055188|-0.00042304|0.00033278|0.00328381|0.00125939|-0.00249659|0.09198710|0.04213548|-0.10108911|-0.00057625|0.00058273|-0.00041461|0.00040528|-0.00103453|0.00071785|-0.00006448|0.00000268|0.00025177|0.00008609|-0.00012535|0.00010623|-0.00016033|-0.00001154|0.00045938|-0.00000421|0.00008004|0.00001415|0.00000425|-0.00000631|0.00000856|0.00006655|0.00001216|0.00003286|0.00000850|-0.00003930|-0.00001149|-0.00004411|-0.00003025|-0.00002280|-0.00005367|-0.00003024|0.00010936|-0.00000294|0.00002679|0.00002317|-0.02138958|-0.00778263|0.01148606|0.02941551|0.01254271|-0.01164070|-0.10239502|-0.04701242|0.10210725|0.00026824|-0.00003883|-0.00000685|-0.00010594|-0.00033341|-0.00025700|0.00019889|0.00042581|0.00050385|-0.00001736|-0.00084490|-0.00049141|0.00177800|0.00069819|0.00125119|0.00041221|0.00032999|-0.00333106|-0.00092246|-0.00454787|-0.03184311|-0.00624082|-0.00138779|-0.00581794|-0.00719659|-0.00334628|-0.01058650|0.00025982|0.00037497|0.00101703|-0.03842352|0.01533570|0.03793743|0.00146573|-0.00001240|-0.00162921|-0.00001196|0.00013882|0.00004052|-0.00003974|0.00001176|-0.00003961|-0.00004573|0.00003963|0.00007622|0.00016390|0.00017733|0.00000360|0.00011604|0.00005778|0.00012808|0.00017544|0.00006265|0.00003804|-0.00071041|0.00051792|0.00091189|-0.00005578|0.00017078|0.00023062|0.00040208|0.00025887|-0.00039708|0.00123396|-0.00040123|-0.00240585|-0.00020004|0.00035003|-0.00021469|0.00024070|0.00032537|-0.00016338|0.00006899|-0.00009127|0.00023391|0.04735664|0.00008740|-0.00000239|-0.00009518|0.00023109|-0.00045044|0.00015333|0.00031856|0.00014629|0.00023433|-0.00013805|0.00013416|-0.00009636|0.00004649|-0.00044374|-0.00032634|-0.00103809|0.00131969|0.00040916|-0.01057545|0.00212811|0.02056543|-0.00138503|-0.00261023|-0.00228389|0.00386129|0.00835630|-0.03440212|-0.00101199|-0.00009436|-0.00094878|0.01395355|-0.07459074|0.00491313|0.00161969|0.00175511|-0.00222247|-0.00000537|0.00005462|0.00004175|-0.00000444|-0.00002840|0.00000269|0.00000187|0.00004161|0.00006937|0.00005220|0.00006959|0.00000550|0.00000724|-0.00004980|0.00003280|-0.00002113|0.00003078|0.00014223|0.00028530|0.00005257|-0.00073168|0.00116232|-0.00098363|0.00120352|0.00029549|-0.00027152|-0.00013584|-0.00054158|0.00260006|-0.00102316|0.00039984|-0.00067521|0.00035904|0.00038708|-0.00052940|0.00038464|-0.00001472|-0.00007417|0.00002650|-0.00741412|0.06475901|0.00004024|-0.00000264|-0.00007847|0.00003606|-0.00043971|0.00020497|0.00015300|0.00008208|0.00028426|0.00022129|-0.00002220|0.00006900|0.00009786|0.00051144|0.00023199|0.00111721|-0.00019051|0.00162273|0.00780927|-0.00302006|-0.00983965|-0.00741965|-0.00334096|-0.00443534|0.00395400|0.00790945|-0.00976594|-0.00039043|-0.00087870|-0.00073585|-0.02010673|-0.01419870|-0.46259332|0.00139609|0.00164440|0.00161181|-0.00001616|0.00001611|0.00002103|0.00000332|-0.00001155|0.00001610|-0.00000603|0.00002810|0.00003046|-0.00000157|-0.00001706|-0.00005832|0.00004749|0.00003084|0.00003006|0.00009744|-0.00001286|-0.00010666|-0.00080714|-0.00046415|0.00083593|-0.00089999|0.00030766|-0.00077495|0.00026105|0.00007894|0.00070207|0.00024411|0.00014453|-0.00113583|0.00016414|-0.00027450|0.00009472|0.00023770|-0.00036009|0.00010626|-0.00011493|0.00001254|-0.00002938|0.01439333|0.01237155|0.48233661|-0.00021804|0.00031894|0.00035109|-0.00958646|0.00572494|-0.02520690|-0.00479495|-0.00384296|-0.00219643|0.00070555|-0.00233693|0.00023410|0.00019580|0.00381847|0.00091542|-0.00496185|0.00148840|-0.01385966|-0.00064837|0.00130792|0.00070324|-0.00600086|-0.00142221|0.00357072|0.00647177|-0.00924006|0.03104779|0.00160355|-0.00043906|-0.00023547|0.00276605|0.00294765|0.00091933|-0.08111031|0.01709176|-0.07524452|0.00000039|-0.00010826|0.00017001|0.00040126|-0.00035766|0.00017053|0.00001421|0.00010798|0.00007167|-0.00027519|0.00057360|-0.00066829|0.00008195|0.00029723|-0.00021857|-0.00054887|-0.00011637|-0.00042033|0.00108201|-0.00050542|0.00049502|0.00026283|0.00001005|-0.00023101|0.00081597|-0.00168152|0.00122414|-0.00004531|0.00028702|-0.00002061|-0.00001264|-0.00004375|-0.00004313|-0.00021829|0.00035967|-0.00042954|0.00011112|-0.00010369|-0.00033613|-0.00017028|-0.00055944|-0.00051100|0.09407898|0.00036464|0.00068432|-0.00003229|-0.00945305|0.00639663|-0.02411710|-0.00470265|-0.00160071|-0.00171233|-0.00040189|-0.00338933|-0.00106263|0.00059232|-0.00427250|0.00190795|0.00877545|-0.00650062|0.03074903|0.00254925|-0.00348104|-0.00002436|-0.00027416|-0.00016170|-0.00000538|-0.00128392|-0.00023325|0.00001932|-0.00050154|0.00008154|-0.00036623|-0.00053572|0.00086786|0.00135456|0.01751574|-0.07113431|0.05319621|0.00001863|0.00011053|0.00030261|0.00013222|-0.00049822|-0.00002786|-0.00008537|0.00005033|0.00010995|0.00039237|0.00144149|-0.00028172|0.00014034|0.00043271|-0.00021647|0.00122948|0.00011685|0.00074043|0.00075948|0.00207942|-0.00024439|-0.00090105|-0.00041657|0.00058236|0.00007207|0.00001070|0.00013458|0.00003155|-0.00002950|-0.00001877|0.00002912|0.00002209|-0.00005818|0.00002484|0.00012644|0.00002658|-0.00005436|0.00002234|0.00008563|-0.00085751|-0.00064384|0.00009605|-0.01357630|0.07991834|-0.00065503|0.00031123|-0.00029267|-0.00148457|0.00433487|-0.01017879|-0.00244492|-0.00141305|0.00096134|0.00044065|-0.00150500|-0.00010833|0.00045146|0.00007505|0.00142072|0.00125011|-0.00323147|0.00255754|0.00003984|-0.00070631|-0.00019778|0.00532532|-0.00020725|-0.00149308|-0.00642508|0.00641487|-0.02400323|-0.00047836|0.00067897|0.00001258|-0.00098223|-0.00193473|0.00271251|-0.07723252|0.05698576|-0.30101707|0.00015105|-0.00031970|0.00024121|0.00042436|-0.00067634|0.00030026|0.00004130|0.00011422|0.00018594|0.00002891|0.00014035|0.00230946|0.00021445|0.00015550|-0.00023306|0.00021290|-0.00015006|-0.00009936|0.00030106|0.00060089|0.00208096|0.00017599|-0.00001736|0.00011542|-0.00037083|0.00135762|-0.00092654|-0.00006195|-0.00018036|0.00029973|-0.00007908|0.00003000|0.00018834|0.00078283|-0.00086612|0.00045190|0.00020778|-0.00020490|0.00039256|0.00041801|0.00135086|0.00135572|0.07974856|-0.06113754|0.32296375| 165.12660 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 77.1632 133.7935 202.5481 239.7307 283.5932 304.1405 330.3716 351.2881 409.1651 443.8294 477.2561 508.7259 548.4827 597.5547 611.3130 692.4477 724.4349 784.9013 830.4102 907.5833 933.7450 948.0498 951.9452 1000.2780 1033.2655 1062.8814 1083.2363 1090.9590 1102.0190 1111.6803 1137.6769 1154.6904 1186.0615 1193.2140 1225.3005 1259.3125 1282.9452 1296.7132 1308.7458 1333.8695 1373.4032 1399.1056 1402.4729 1431.1000 1453.9254 1494.5330 1499.7514 1509.2016 1516.6381 1532.9833 1555.5286 1565.1670 1572.1755 1626.8688 1637.7299 1641.0632 1654.8634 1657.5740 1669.5124 1914.7562 3150.1939 3197.4184 3206.9564 3214.8251 3229.2740 3269.2733 3271.9476 3277.7630 3282.9328 3292.2243 3310.6431 3327.7761 3346.6681 3679.9821 3848.2527 3.1501 4.0867 1.5097 1.7388 2.0163 2.6192 1.3922 2.0207 2.8371 2.8947 2.7586 4.1514 2.8721 1.9124 2.1233 3.4580 3.2391 3.9622 3.1820 2.6871 2.7094 2.8991 2.5885 2.1867 2.6233 1.8590 2.5074 1.5265 1.6866 2.1206 1.5209 2.1896 1.3173 1.4175 2.3247 1.9922 1.8763 1.7923 1.9090 1.9958 1.4744 1.8969 1.6877 1.4515 1.4871 1.4521 1.5999 1.5008 1.4287 1.3646 1.3726 1.3428 1.3911 1.0518 1.0521 1.0496 1.1498 1.0646 1.6086 7.0344 1.0845 1.0850 1.0428 1.0434 1.0867 1.0798 1.0960 1.1000 1.0738 1.1039 1.0995 1.0929 1.1072 1.0751 1.0777 0.0111 0.0431 0.0365 0.0589 0.0955 0.1427 0.0895 0.1469 0.2799 0.3360 0.3702 0.6330 0.5091 0.4023 0.4675 0.9769 1.0016 1.4382 1.2928 1.3041 1.3918 1.5353 1.3821 1.2891 1.6501 1.2373 1.7335 1.0704 1.2068 1.5441 1.1598 1.7201 1.0918 1.1891 2.0564 1.8614 1.8196 1.7756 1.9265 2.0921 1.6386 2.1877 1.9559 1.7515 1.8521 1.9110 2.1202 2.0140 1.9362 1.8894 1.9568 1.9381 2.0259 1.6401 1.6625 1.6654 1.8552 1.7235 2.6416 15.1951 6.3410 6.5355 6.3188 6.3536 6.6766 6.8000 6.9132 6.9632 6.8184 7.0496 7.1004 7.1307 7.3063 8.5780 9.4031 0.0759 3.2792 0.1356 0.1429 2.7468 0.7804 1.2190 5.0741 30.7005 21.1575 21.5190 1.8186 72.4400 59.0460 1.8548 0.2882 6.8897 8.9554 0.9217 3.0460 9.5675 51.6223 2.7742 3.6759 15.6106 1.9532 19.6585 1.3792 23.3988 9.0441 7.7038 0.4678 6.8461 37.6169 20.1953 9.3943 9.8063 0.3453 19.1579 72.3744 15.7412 5.4842 21.8883 9.3761 0.3754 8.7912 22.9691 8.6365 38.7001 26.4335 9.6869 0.1766 11.9026 6.3839 1.4720 2.3908 11.6646 6.8924 108.2811 252.2832 37.6855 14.9601 7.3458 71.9808 74.1374 56.0712 17.8534 38.1222 50.6724 60.3938 23.3339 56.1008 19.8912 4.2526 24.2294 0.4036 0.7802 0.5000 0.5385 0.4281 1.3387 0.2231 0.4462 3.0840 2.2607 1.1963 5.7566 5.2135 4.6318 1.5338 5.7365 1.4845 3.6752 6.2941 6.1245 3.7255 0.5299 5.6545 8.5075 3.5222 8.3056 2.7943 3.9403 1.0562 6.7562 2.7294 1.3567 7.4294 5.4209 1.2692 1.1546 3.6483 3.6560 2.8391 2.9052 1.3261 7.8980 2.6648 6.3329 9.4817 0.8462 2.8160 7.8615 1.1067 4.8594 5.6086 0.8118 1.5883 21.4484 13.9591 2.6063 9.0535 10.4523 2.8762 15.6283 72.4891 26.7468 16.4310 174.1886 125.0047 82.7916 33.1745 107.7019 183.1856 56.6957 41.2117 141.6848 42.3277 82.2024 102.1596 0.7270 0.7420 0.3045 0.4288 0.7239 0.7292 0.7500 0.6307 0.7301 0.7477 0.7360 0.6946 0.0829 0.1007 0.1755 0.1159 0.7489 0.4679 0.0340 0.5445 0.3180 0.6865 0.4318 0.4032 0.7434 0.7377 0.1614 0.7301 0.7316 0.3569 0.7283 0.4801 0.6449 0.4631 0.0920 0.7272 0.4457 0.7395 0.5471 0.6501 0.4310 0.7283 0.5175 0.7381 0.6912 0.7412 0.7500 0.6472 0.5044 0.7036 0.5255 0.5763 0.6623 0.7433 0.7457 0.5208 0.7438 0.7500 0.7489 0.1693 0.3930 0.7183 0.1089 0.0558 0.2266 0.6277 0.7310 0.6668 0.0828 0.7336 0.7176 0.3013 0.7415 0.3138 0.2873 0.8419 0.8519 0.4668 0.6002 0.8398 0.8434 0.8571 0.7735 0.8440 0.8556 0.8479 0.8198 0.1531 0.1829 0.2986 0.2077 0.8565 0.6375 0.0658 0.7050 0.4825 0.8141 0.6031 0.5747 0.8528 0.8491 0.2779 0.8440 0.8450 0.5261 0.8428 0.6488 0.7841 0.6331 0.1684 0.8420 0.6166 0.8502 0.7073 0.7880 0.6024 0.8428 0.6821 0.8493 0.8174 0.8514 0.8571 0.7858 0.6706 0.8260 0.6889 0.7312 0.7968 0.8527 0.8543 0.6849 0.8531 0.8571 0.8564 0.2895 0.5643 0.8360 0.1963 0.1057 0.3695 0.7713 0.8446 0.8001 0.1529 0.8464 0.8356 0.4631 0.8516 0.4777 0.4464 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 6 6 7 6 7 6 6 6 6 6 7 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 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 1.00783 1316.03927 1647.92498 2451.03528 0.99966 -0.02521 -0.00601 0.02517 0.99966 -0.00635 0.00617 0.00620 0.99996 1 0.06581 0.05256 0.03534 1.37134 1.09516 0.73632 111.02 192.50 291.42 344.92 408.03 437.59 475.33 505.43 588.70 638.57 686.67 731.94 789.14 859.75 879.54 996.28 1042.30 1129.30 1194.78 1305.81 1343.45 1364.03 1369.64 1439.18 1486.64 1529.25 1558.54 1569.65 1585.56 1599.46 1636.86 1661.34 1706.48 1716.77 1762.93 1811.87 1845.87 1865.68 1882.99 1919.14 1976.02 2013.00 2017.85 2059.03 2091.87 2150.30 2157.81 2171.40 2182.10 2205.62 2238.06 2251.93 2262.01 2340.70 2356.33 2361.12 2380.98 2384.88 2402.06 2754.91 4532.43 4600.37 4614.10 4625.42 4646.20 4703.76 4707.60 4715.97 4723.41 4736.78 4763.28 4787.93 4815.11 5294.67 5536.78 0.257820 0.267292 0.268236 0.223361 -512.568330 -512.558858 -512.557914 -512.602789 1.505115D-04 MUNgauss RevisionA2.1 retrievium 07-Jan-2023 GDB_13 Smiles: CC1N=CNC2C3CC(C)(N3)C12 RHF 6-31G(d) (6D,10F) C1 165.126598 |X|Y|Z| 26.155737 28.950317 14.862449 22.409744 10 6 7 7 3 |36.858105| |12.490526|36.858105| |7.874157|13.086904|53.358707| |5.331361|8.250511|20.681464|36.858105| |4.529381|6.974112|11.066713|13.911958|53.358707| |4.820444|7.379822|8.899611|7.756294|17.857782|36.858105| |4.065874|5.296561|6.769705|5.646951|10.277126|12.366779|36.858105| |4.717807|5.743553|7.653817|5.842734|8.537884|7.861041|12.392669|36.858105| |5.845044|6.941827|7.468566|5.141384|7.566010|8.101327|9.579655|12.350285|36.858105| |5.771896|5.487863|5.949549|3.889048|5.351704|4.995212|5.556195|7.105082|12.603203|36.858105| |4.122609|4.940026|5.717078|4.308501|7.034890|8.071773|12.945574|9.259155|12.776154|7.500838|53.358707| |7.352096|12.317717|10.198711|6.774320|10.313592|12.199684|8.127778|7.796809|12.193815|7.130184|10.955671|36.858105| |17.577541|8.899913|9.771269|4.906536|5.497466|4.037373|3.403364|3.840102|4.419150|4.366970|4.586330|5.444523|0.500000| |17.541562|8.752328|7.672636|4.292927|5.357331|4.427142|3.817840|4.259665|5.673317|6.152966|5.620083|6.833612|0.300618|0.500000| |17.595711|8.797843|9.739331|5.034537|5.745168|4.463836|4.070326|5.138523|6.074513|6.441680|5.620924|6.425939|0.303092|0.300045|0.500000| |9.006507|17.473021|12.681195|7.065914|8.788799|6.593795|4.544680|4.510786|5.356359|4.429244|5.834531|9.084400|0.222122|0.210769|0.174772|0.500000| |4.302016|5.759428|12.880194|17.643230|12.557289|5.659793|4.639305|4.849222|4.112259|3.279621|4.893791|4.917127|0.115343|0.098481|0.116765|0.145054|0.500000| |3.681468|5.121655|8.164921|9.480321|26.033692|9.147348|6.880589|5.526951|4.636809|3.414146|6.296435|5.599392|0.093370|0.090852|0.097773|0.135053|0.235177|0.500000| |4.109271|5.844250|6.908421|5.851284|12.553319|17.560538|8.769238|5.640512|6.160508|4.262212|9.549157|8.622731|0.098734|0.109666|0.103620|0.163126|0.128606|0.213400|0.500000| |3.323698|4.167213|5.600417|4.835026|8.835590|8.451074|17.586559|8.251860|6.291468|4.332161|11.782196|5.646092|0.080084|0.087241|0.092668|0.103889|0.118079|0.188901|0.203504|0.500000| |3.920585|4.404025|5.924205|4.481057|6.433064|5.604658|8.745526|17.617409|8.720144|6.589080|10.823863|5.568981|0.091189|0.101288|0.121223|0.100502|0.110225|0.123055|0.124229|0.201192|0.500000| |5.020678|6.176692|9.501768|7.304694|9.273870|7.037898|8.363623|17.657291|8.387851|5.806011|8.455313|6.994655|0.116001|0.118513|0.156228|0.130791|0.169816|0.164803|0.140232|0.179937|0.296963|0.500000| |6.709192|5.627481|6.292392|3.922054|5.082081|4.410141|4.680821|6.327264|8.802269|17.607177|7.495498|6.213985|0.138952|0.190714|0.238783|0.122780|0.093002|0.089962|0.103654|0.104565|0.163735|0.161324|0.500000| |5.642177|5.188833|5.378767|3.503351|4.882361|4.569072|4.735813|5.318262|8.835882|17.528898|8.838171|6.611300|0.120243|0.187057|0.160629|0.123374|0.082330|0.086621|0.114525|0.105774|0.136250|0.125975|0.301528|0.500000| |4.380349|4.248936|4.940782|3.362580|4.695619|4.286246|5.150355|6.495560|8.951016|17.579340|9.684241|5.360776|0.098051|0.127493|0.136080|0.099209|0.081289|0.086201|0.104349|0.117486|0.193273|0.144028|0.301226|0.301297|0.500000| |3.933192|4.718148|5.278129|3.959646|6.581524|7.627548|9.074552|6.406135|8.993208|6.331404|25.744552|7.634079|0.090499|0.113149|0.105155|0.120218|0.091980|0.120230|0.215464|0.195446|0.155559|0.135502|0.132482|0.173580|0.162947|0.500000| |6.553159|8.978250|7.651361|5.128984|7.901568|8.732775|6.341074|5.684864|8.885317|6.559590|9.901880|17.524906|0.140189|0.194894|0.151740|0.236289|0.110443|0.127760|0.226702|0.133382|0.125273|0.140145|0.153493|0.195965|0.139617|0.226708|0.500000| 512.442573 -2750.062789 1020.272871 -72.127287 -1289.474633 776.648480 -512.826153 2.000749 4058000000000002 419616E42FFFFFFD 412F6A831C71C718 40EE2D8000000001 C02C000000000000 41907C3A47FFFFFF