Version2.5 2022-09-09T02:56:10Z 10.1021/ja902302h Gaussian16 RevisionB.01 SBUNGAY 04-Jun-2022 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) GDB_13 Smiles: CC1C2NN=CC2(C=C)C1C=C RHF 6-31G(d) (6D,7F) CC1C2NN=CC2(C=C)C1C=C C1[X(C10H14N2)] 72 C1 208 CC1C2NN=CC2(C=C)C1C=C C=CC1C(C)C2C1(C=C)C=NN2 CC1C2NN=CC2(C=C)C1C=C InChIKey=BHBUUIKWLPTASH-UHFFFAOYSA-N InChI=1S/C10H14N2/c1-4-8-7(3)9-10(8,5-2)6-11-12-9/h4-9,12H,1-2H2,3H3 InChI=1/C10H14N2/c1-4-8-7(3)9-10(8,5-2)6-11-12-9/h4-9,12H,1-2H2,3H3 CC1C2NN=CC2(C=C)C1C=C C01[X(C10H14N2)] 72 C1 208 CC1C2NN=CC2(C=C)C1C=C CC[C@H]1[C@@H](C)[C@@H]2[C@@]1(CC)CNN2 CC[C@H]1[C@@H](C)[C@H]2NNC[C@@]12CC InChIKey=MIHDDFDRDSGAJC-RGOKHQFPSA-N InChI=1S/C10H20N2/c1-4-8-7(3)9-10(8,5-2)6-11-12-9/h7-9,11-12H,4-6H2,1-3H3/t7-,8+,9-,10+/m1/s1 InChI=1/C10H20N2/c1-4-8-7(3)9-10(8,5-2)6-11-12-9/h7-9,11-12H,4-6H2,1-3H3/t7-,8+,9-,10+/m1/s1 4.952289479101D+02 -2.585587145633D+03 714.9848678284 -495.6047261 1-A 1915.4938 44 164 208 |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| -15.59220 -15.58003 -11.25720 -11.25385 -11.24728 -11.23979 -11.23544 -11.22918 -11.22612 -11.22544 -11.21612 -11.20628 -1.33712 -1.15300 -1.10042 -1.05906 -1.03102 -0.98175 -0.90520 -0.86722 -0.81960 -0.77135 -0.75889 -0.72806 -0.69075 -0.66730 -0.62927 -0.61368 -0.60533 -0.59657 -0.58244 -0.57724 -0.55247 -0.53137 -0.52331 -0.50737 -0.48309 -0.46124 -0.44820 -0.44510 -0.42233 -0.36895 -0.34772 -0.33514 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.16650 0.17498 0.18668 0.21764 0.24628 0.27528 0.27872 0.28310 0.28545 0.30441 0.31181 0.31753 0.32491 0.33842 0.34001 0.36042 0.36456 0.37368 0.37982 0.38958 0.41364 0.45872 0.47144 0.49080 0.50757 0.52391 0.54641 0.57630 0.59643 0.62140 0.69597 0.71104 0.72032 0.73484 0.75036 0.77635 0.78303 0.79337 0.81207 0.81499 0.84412 0.85896 0.87692 0.88859 0.89490 0.90974 0.91894 0.93971 0.95841 0.96712 0.98179 1.00868 1.01305 1.02592 1.05060 1.07836 1.08722 1.10520 1.11381 1.12459 1.13068 1.13616 1.13847 1.15165 1.16294 1.17899 1.18559 1.19091 1.20500 1.22119 1.22336 1.24249 1.24653 1.26318 1.27476 1.29636 1.31917 1.35744 1.36068 1.38197 1.40501 1.42061 1.46902 1.48059 1.54495 1.61308 1.64170 1.66289 1.69755 1.73562 1.74959 1.76224 1.78827 1.82383 1.86823 1.89669 1.90653 1.95692 1.97745 1.99934 2.02648 2.05155 2.09010 2.10338 2.11695 2.14459 2.16364 2.24256 2.25159 2.27751 2.29464 2.32416 2.33462 2.36006 2.37606 2.38272 2.43783 2.44910 2.47436 2.48830 2.52973 2.55495 2.56134 2.58994 2.61483 2.62161 2.66930 2.68454 2.70276 2.71853 2.74694 2.75386 2.79114 2.83539 2.84915 2.89500 2.92903 2.94864 2.96047 2.97842 3.01024 3.02424 3.04654 3.09488 3.13355 3.20196 3.23746 3.25578 3.29230 3.31247 3.40284 3.43352 4.23860 4.46158 4.53487 4.56408 4.59961 4.69635 4.73378 4.87065 4.89546 5.01425 5.04184 5.45973 13.65021 0.7227 0.2114 2.2615 2.3836 |XX|YY|ZZ|XY|XZ|YZ| -72.4709 -69.5555 -75.4147 -0.1003 0.8274 -2.4723 |XX|YY|ZZ|XY|XZ|YZ| 0.0095 2.9249 -2.9344 -0.1003 0.8274 -2.4723 |XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| 15.0799 -23.5358 13.1139 -2.4272 6.9483 -4.4587 -1.3927 9.4597 1.3447 0.6300 |XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY| -1277.8604 -725.4134 -556.4203 21.3758 9.3661 -33.8841 18.1593 13.8311 -15.3481 -348.1459 -291.0793 -222.2265 -2.7634 2.9306 8.5055 0 |0.63522548|-0.02580516|0.55992042|-0.00508342|-0.00553610|0.65870944|-0.11586847|-0.03845393|-0.00939721|0.48827112|-0.03809775|-0.21774135|-0.02446760|0.06217351|0.59903261|-0.00816789|-0.02754543|-0.10225010|-0.00319733|0.01565831|0.66472532|-0.00550279|-0.00574552|0.00283242|-0.18017176|-0.03461142|0.02826447|0.68595421|-0.02886481|-0.00400637|0.01449254|-0.05992668|-0.08532961|0.00383107|-0.02854132|0.46576319|-0.01030009|0.00514911|0.00457439|0.04397142|0.00512426|-0.10302427|0.07766846|-0.02352891|0.61912289|0.00149922|-0.00099052|-0.00151511|0.00016940|0.01236261|0.02587258|-0.10006917|0.04366879|0.03174542|0.55987869|-0.00110673|-0.00040198|-0.00239074|0.00106327|0.00986780|0.01234339|0.02219902|-0.11786983|-0.03108825|-0.31745545|0.53791089|-0.00088986|-0.00207584|0.00149413|0.00613609|-0.00716524|-0.02242969|-0.01325227|-0.05327127|-0.19822669|-0.08494127|-0.03078250|0.50430800|-0.00040323|0.00065893|-0.00021255|0.00114374|0.00048566|0.00228272|0.00344022|-0.00383884|0.00029451|-0.08538721|0.02372235|0.02730021|0.27351058|0.00022181|-0.00054175|0.00092983|0.00143579|-0.00148180|0.00031205|-0.01301464|0.00414891|0.00975264|0.04437100|-0.17929699|0.12808911|-0.30366804|0.74730741|-0.00119698|0.00000293|-0.00108957|-0.00029776|-0.00277635|-0.00507813|0.01807942|0.02025782|-0.05486446|0.01232569|0.02611214|-0.17403183|-0.16938782|0.12095855|0.48817401|0.00159456|-0.00049373|0.00047221|-0.00263504|-0.00031975|0.00125021|0.00173067|-0.00312756|-0.01592184|0.00859085|0.02138641|-0.00246449|-0.20279003|0.25026995|0.11584463|0.35412594|-0.00085090|0.00004105|0.00068934|-0.00068077|-0.00492575|-0.00254657|0.00317706|-0.01266525|0.02660323|0.03349731|-0.09788802|0.01305595|0.22519564|-0.51062831|-0.16328302|-0.30689293|0.99249246|0.00081000|-0.00022267|0.00036573|-0.00250192|0.00235083|-0.00076175|-0.00257278|0.02877902|-0.01717409|-0.01611319|0.04807388|-0.00022809|0.14520090|-0.23037517|-0.23027597|-0.13317936|-0.02266554|0.66461696|-0.00230057|0.00012041|0.00186908|-0.01608185|-0.02217263|0.00980106|-0.07961938|0.04523443|-0.02514990|-0.01249093|0.00793379|0.00664364|0.02118599|0.01856858|0.03534417|-0.10411626|-0.00059554|0.01775451|0.43370997|0.00000990|-0.00178250|0.00382905|-0.01923850|-0.06032680|0.03148599|0.03024685|-0.13842071|0.00534780|0.01133495|-0.03011898|-0.01875024|0.02880989|0.00124178|-0.02186509|-0.00586639|-0.10376031|0.02034060|0.02523249|0.58948764|0.00066509|0.00120149|-0.00318349|0.01401142|0.04027287|0.00012043|-0.02298719|0.02482930|-0.09668224|0.01099617|-0.02292155|-0.00425630|0.02806782|-0.02711149|-0.02674973|0.03014466|0.01684470|-0.21230984|-0.04628962|0.05387701|0.61484446|0.00087256|-0.00039282|0.00035172|-0.00139597|0.00014393|0.00046373|0.00730856|0.00430803|0.01473502|-0.00172227|0.00448678|0.00119257|-0.00278793|0.00071771|0.00199719|0.00399750|0.00807019|0.00272499|-0.09754388|-0.02977452|-0.01413139|0.42403542|-0.00032677|0.00001566|0.00004940|0.00011792|-0.00141232|0.00258569|-0.00805782|-0.02424942|-0.01679998|0.00107353|-0.00367041|-0.00083319|-0.00440572|0.00081235|0.00576873|0.00718502|0.00877997|-0.00500694|-0.02826424|-0.18423055|-0.06813306|0.32684029|0.75200384|0.00038468|0.00008278|-0.00084323|0.00005074|0.00074357|-0.00034443|0.00533870|0.00134051|0.01131946|-0.00267159|0.00405740|-0.00127519|0.00532397|0.00141936|-0.00596266|-0.00806390|-0.03482237|-0.01911246|-0.01809977|-0.06443705|-0.16521712|-0.18255461|-0.03812939|0.66586537|0.00006086|-0.00005688|0.00000418|0.00006871|0.00004803|0.00020382|-0.00083859|0.00233249|-0.00117632|0.00055363|-0.00057481|0.00057231|-0.00020904|-0.00030181|-0.00004719|-0.00054713|0.00148390|-0.00036357|0.00275646|-0.00995491|0.00007599|-0.23417406|-0.25324698|0.09351415|0.38903675|-0.00010537|-0.00003551|0.00017926|0.00002472|0.00005765|0.00017209|-0.00177591|0.00220411|-0.00200217|0.00047729|-0.00087143|0.00040692|-0.00051575|0.00011051|-0.00018422|-0.00077347|-0.00026104|0.00076906|-0.01664557|-0.02328616|0.00537769|-0.25475427|-0.46096024|0.10562788|0.34825750|0.77650805|-0.00004391|-0.00008825|0.00038574|-0.00006406|-0.00016935|-0.00010787|-0.00187824|-0.00097221|-0.00243032|0.00044944|-0.00078030|-0.00019323|0.00031013|0.00020289|0.00048716|-0.00015204|-0.00105819|0.00152061|-0.01227657|-0.01943335|0.01513524|0.09062039|0.10011962|-0.17195714|-0.17679731|0.01937864|0.70366771|0.00882183|-0.00609620|0.00709633|-0.08449553|0.03032655|-0.02247116|-0.07809493|0.02352356|-0.00912390|-0.00027333|-0.00243094|0.00223087|0.00070538|-0.00056998|-0.00275455|-0.00251201|0.00068558|0.01071791|-0.12701069|-0.02245737|0.00722308|-0.00911271|-0.00974672|-0.00233863|0.00012543|0.00193777|0.00024216|0.59276887|0.01513833|-0.01813862|0.01213614|0.05546615|-0.14062189|0.02055934|0.02638149|-0.01098835|0.01222601|-0.00432002|-0.00040084|-0.00003118|0.00154925|0.00034707|-0.00430025|-0.00168655|-0.00220460|0.00658831|-0.03937076|-0.07060025|-0.01166920|-0.02824763|-0.01180492|0.00239061|0.00040077|-0.00058078|-0.00322627|-0.08859729|0.48792003|0.01033280|-0.00338931|0.00442476|-0.02614361|0.01377709|-0.10990604|0.00696286|0.00441395|0.01095825|-0.00141705|0.00300761|0.00287006|-0.00491026|0.00004366|-0.00782487|0.03310458|0.00560866|0.00030390|0.03005292|-0.00813244|-0.09737616|-0.02342389|-0.00242536|0.00659789|-0.00010984|-0.00391439|-0.00313341|-0.00933534|0.11290729|0.60327458|0.00195230|-0.00078467|-0.00072647|-0.01079940|0.00160239|-0.01073383|-0.00206885|0.00036973|0.00078858|-0.00064392|0.00041107|0.00042517|-0.00127276|-0.00022238|-0.00121092|0.00032109|-0.00177988|0.00017403|-0.01986047|-0.00602488|-0.02301468|-0.00300737|0.00129699|0.00168315|0.00008219|-0.00078474|-0.00078618|-0.14714851|-0.01461422|-0.07129548|0.92013150|-0.00025405|0.00109032|0.00072968|0.01315127|0.01527384|0.02582710|-0.00017823|-0.00096822|0.00105098|0.00077757|-0.00025558|-0.00041761|-0.00124812|-0.00131873|-0.00117350|-0.00078037|0.00235441|0.00062361|-0.00580634|-0.00344548|-0.01513761|-0.00303624|-0.00060817|0.00085665|-0.00012069|-0.00049537|-0.00030562|-0.00921353|-0.10392586|-0.03251931|-0.23543735|0.36656030|0.00045723|0.00046336|0.00236278|-0.01066387|0.00182609|-0.01190370|0.00111126|0.00055830|0.00040098|-0.00127178|-0.00133422|0.00056366|0.00008603|0.00057423|-0.00225452|0.00003240|0.00071522|0.00205547|-0.00185902|0.00198714|0.01548049|0.00417020|-0.00046680|-0.00213320|-0.00002496|0.00107370|0.00124044|-0.05792341|-0.03758616|-0.20163307|0.04148651|0.18489427|0.57478986|-0.00038105|-0.00040486|0.00021682|0.00142742|-0.00327255|-0.00008637|-0.00023351|0.00019116|-0.00003043|-0.00002778|0.00002810|0.00008962|-0.00003719|0.00008493|0.00034681|-0.00005807|0.00012639|-0.00061921|0.00187060|0.00030180|-0.00109648|-0.00055138|0.00005462|0.00023836|-0.00000437|-0.00011166|-0.00019985|-0.02268824|0.00762193|-0.00714776|-0.60878020|0.16995424|-0.04100615|0.92343455|-0.00004729|-0.00024575|-0.00009427|-0.00058919|-0.00171554|-0.00163188|-0.00025156|-0.00007932|-0.00020293|0.00043161|0.00081546|-0.00030988|-0.00002362|-0.00038183|0.00049959|0.00031390|-0.00046138|-0.00004188|-0.00195519|-0.00032652|-0.00120364|-0.00013246|0.00028569|0.00026087|-0.00001229|-0.00010071|-0.00006042|-0.00655632|0.01069795|-0.00095330|0.16926014|-0.13211675|-0.01795099|-0.22400388|0.32595716|0.00010777|-0.00054876|-0.00054620|-0.00129037|-0.00225077|-0.00265148|-0.00014578|-0.00000257|-0.00057106|0.00017634|0.00024948|0.00012788|0.00018069|0.00049038|0.00115461|0.00069394|-0.00068188|-0.00117529|-0.00051033|-0.00073043|-0.00406990|-0.00119669|0.00039313|0.00079626|0.00003825|-0.00047600|-0.00037791|-0.03376863|0.00887776|0.00191399|-0.04181909|-0.01787215|-0.12563665|0.09917500|0.21332352|0.61493122|-0.16091285|0.10935601|-0.07919073|0.00952333|-0.01003399|0.00718930|0.00028532|0.00117784|0.00055603|-0.00003579|0.00029003|-0.00014577|0.00011579|-0.00016358|0.00008385|-0.00016239|0.00014987|0.00003837|0.00048864|-0.00002346|-0.00008064|-0.00005321|0.00002803|-0.00009063|0.00000342|0.00002714|0.00002677|-0.00019600|-0.00268313|-0.00080011|-0.00036158|0.00024267|-0.00021770|0.00034194|0.00017729|-0.00000550|0.16973941|0.10878215|-0.17523183|0.08471198|0.02565253|-0.02356202|0.01832652|-0.00055529|0.00090176|0.00076922|-0.00038884|0.00046300|-0.00026644|0.00008798|-0.00021198|0.00065617|-0.00050785|0.00009140|-0.00045911|0.00022495|-0.00080724|0.00060457|-0.00031494|0.00015310|0.00010816|-0.00003737|-0.00004825|-0.00008435|-0.00363298|-0.00307390|-0.00359046|-0.00070115|0.00029948|-0.00103164|0.00026012|0.00016387|0.00017294|-0.12030445|0.19020228|-0.07981987|0.08556049|-0.12177014|0.00588575|-0.00571968|0.00316820|-0.00048967|0.00042965|0.00022305|0.00051619|-0.00015928|-0.00000777|0.00000293|-0.00028837|-0.00000201|-0.00013401|-0.00002317|0.00009283|0.00003491|-0.00020675|0.00005920|-0.00002326|0.00001952|0.00004504|0.00000627|-0.00001155|-0.00001558|-0.00113364|-0.00136148|0.00056147|0.00007876|-0.00000065|-0.00057959|0.00012834|0.00022759|0.00018243|0.08962426|-0.09360141|0.12464909|-0.30268689|-0.03145520|0.09476642|-0.01009795|-0.00018083|0.00415839|0.00204212|-0.00126677|-0.00182840|0.00022514|0.00000434|0.00004887|-0.00013717|0.00021084|-0.00016654|0.00021373|-0.00038851|-0.00005691|-0.00039037|-0.00024426|0.00050314|0.00012256|0.00001078|0.00016788|0.00000641|-0.00005813|-0.00004822|0.00027664|-0.00038039|-0.00012671|-0.00005742|0.00001833|-0.00007086|0.00028229|0.00016497|0.00001556|-0.01997150|-0.00240028|0.00793475|0.32756468|-0.03012897|-0.06256217|0.01122856|-0.03787540|-0.00253037|0.01516250|0.00004705|-0.00586584|-0.00399649|0.00087182|0.00077062|-0.00027316|-0.00012874|0.00022771|0.00011105|0.00042932|-0.00034440|-0.00002244|-0.00089072|-0.00007116|0.00058478|0.00027131|-0.00003442|0.00017378|0.00002694|-0.00005009|-0.00004184|0.00066473|0.00114598|0.00091073|0.00011151|-0.00017242|0.00012009|0.00035869|0.00017050|0.00006561|0.02294161|0.00399710|-0.01075635|0.03556509|0.06444631|0.09420763|0.01170838|-0.09614645|-0.00856199|-0.00089194|0.00244049|0.00043608|-0.00180721|-0.00079759|0.00091392|0.00144563|0.00004878|0.00008320|-0.00018410|0.00054340|0.00005440|0.00008236|-0.00020862|-0.00010557|-0.00016154|0.00006836|-0.00003055|-0.00001383|0.00007560|-0.00000175|-0.00001004|-0.00003973|0.00060421|0.00024077|0.00031283|0.00045638|-0.00030841|-0.00013382|-0.00046769|-0.00015938|0.00020519|-0.01781938|-0.00380258|0.00749621|-0.10497910|-0.01183108|0.09618667|-0.05909139|0.00107792|0.00125244|-0.00012464|-0.00186461|-0.01284452|0.00009441|0.00011836|-0.00105349|-0.00034429|0.00040217|-0.00010373|0.00012318|-0.00035069|0.00079212|0.00001847|0.00019464|-0.00031115|0.00016440|0.00015055|-0.00006109|-0.00009996|0.00002595|-0.00009243|0.00000393|0.00002612|0.00002023|0.00037005|0.00046430|0.00061259|0.00005019|0.00007186|0.00018338|-0.00015357|-0.00009260|0.00007580|0.00052503|-0.00625392|-0.02374514|0.00239588|0.00815205|0.03555553|0.05641315|0.00072142|-0.07309496|-0.06022888|0.00018782|-0.00617393|-0.03771219|0.00050715|0.00134671|-0.00087611|0.00035900|0.00026476|0.00049431|-0.00004948|-0.00041969|0.00078133|0.00001281|0.00007614|-0.00018939|0.00011867|0.00045034|-0.00020553|0.00011242|0.00002899|-0.00017288|0.00001401|0.00003422|0.00008475|0.00037644|0.00135465|-0.00024125|0.00033589|-0.00094790|-0.00010614|0.00008905|0.00027203|0.00040282|-0.00169817|0.00663165|0.02492806|0.00097191|0.00044278|0.00473028|0.00056417|0.07713133|-0.00072585|-0.06371203|-0.34074926|-0.00089355|-0.00177224|-0.00328319|0.00077374|-0.00034529|-0.00114924|0.00163706|0.00234133|-0.00020039|0.00012870|-0.00015886|0.00071793|-0.00007088|0.00020078|-0.00020036|-0.00001210|-0.00010615|0.00007660|0.00001724|-0.00000892|0.00001840|0.00000740|-0.00001216|0.00000271|-0.00037805|-0.00003878|0.00000598|-0.00004351|0.00019014|-0.00090506|0.00022409|0.00024745|0.00021806|0.00023162|-0.00286378|-0.01513004|0.00010823|-0.00164114|-0.01042925|0.00005942|0.06781364|0.36911872|0.00057006|-0.00275258|-0.01382365|-0.05942886|-0.00469165|-0.01166554|0.00396455|0.00872264|0.03530497|-0.00518699|-0.00415303|0.00363821|-0.00079619|0.00060460|0.00160365|-0.00012027|0.00023051|-0.00001443|-0.00038634|0.00012825|-0.00087212|0.00049469|-0.00039147|0.00023788|-0.00007177|-0.00003183|-0.00002595|-0.00283531|-0.00326321|-0.02606446|-0.00060966|0.00477543|-0.00052989|-0.00052501|-0.00045693|-0.00084490|0.00043788|0.00039782|0.00076401|0.00021683|0.00079275|-0.00015130|-0.00020379|-0.00300510|-0.00000197|0.06248523|-0.00132203|-0.00680403|-0.03887909|-0.00462786|-0.06667399|-0.04161094|0.00027890|0.00132439|0.00499619|-0.00012167|-0.00020747|0.00020083|-0.00010210|-0.00026854|0.00056406|-0.00003991|0.00064294|-0.00017637|0.00077895|-0.00063809|-0.00181696|-0.00061904|-0.00058320|0.00080216|0.00000041|-0.00014127|-0.00031313|0.00360566|0.00273752|0.02745396|-0.00016383|-0.00455689|0.00071562|0.00054037|0.00050922|0.00072593|0.00096285|0.00159817|0.00043005|-0.00007148|0.00162337|0.00082376|-0.00300131|-0.00736257|-0.00084598|0.00314529|0.07584729|-0.00006741|-0.00032277|-0.00435299|-0.00960620|-0.04277146|-0.33112875|-0.00356886|-0.00391292|-0.01225423|0.00225998|0.00129985|-0.00100848|0.00048569|-0.00008424|-0.00005146|0.00028971|-0.00025050|-0.00016677|-0.00028318|0.00081497|0.00077391|0.00035939|-0.00024500|-0.00106069|0.00004368|0.00021278|0.00052671|-0.00085063|-0.00260272|-0.01264444|-0.00000941|0.00294450|0.00069409|-0.00019327|-0.00023023|-0.00059311|0.00045580|-0.00063813|0.00073820|-0.00067775|-0.00028682|0.00042396|-0.00030358|-0.00105528|0.00124289|0.01169029|0.04678732|0.35502391|-0.00198311|0.00120480|0.00081793|-0.01461435|0.00291964|-0.01742329|-0.25194518|0.00105882|-0.13441622|0.01319989|-0.00214013|0.01001887|-0.00053159|0.00205948|-0.00030650|-0.00052174|-0.00024921|0.00004336|-0.00570041|-0.00131481|-0.00196079|0.00082063|-0.00098638|-0.00059434|0.00053104|0.00045253|0.00051380|-0.00517535|0.00171536|0.00235863|-0.00003589|0.00062068|0.00034393|-0.00017437|-0.00006375|-0.00030083|0.00015414|-0.00051234|0.00010227|-0.00022253|-0.00091868|-0.00006461|0.00006993|0.00001961|-0.00011138|0.00156651|0.00003742|0.00075820|0.26412157|-0.00112621|0.00065077|0.00063288|-0.00736209|0.00084477|-0.01229684|-0.00068928|-0.06845375|0.00616130|-0.00956465|0.00525870|-0.01552373|-0.00081613|-0.00428418|0.00036334|0.00106217|-0.00215524|0.00021166|0.01903747|0.00896712|0.01713529|-0.00047705|0.00406140|-0.00007835|-0.00059595|-0.00015126|0.00005041|0.00212035|-0.00071642|0.00103861|0.00057285|0.00044543|-0.00056362|0.00005842|0.00005076|0.00013749|0.00010680|-0.00025248|0.00009188|-0.00009111|-0.00064555|0.00010140|0.00016076|0.00007616|-0.00012256|0.00161160|0.00115026|-0.00013618|-0.00447873|0.05312772|0.00099479|-0.00075687|-0.00028112|0.01119760|0.00021765|0.01084604|-0.12962286|0.00328677|-0.15527754|-0.02443594|-0.00098223|-0.03025709|0.00049216|-0.00376725|-0.00138403|0.00050744|0.00056632|-0.00063573|-0.00292195|-0.00228304|-0.00105310|-0.00002109|-0.00118992|0.00076210|0.00045860|0.00022168|0.00005634|0.00204236|0.00138706|0.00043752|0.00010755|-0.00061387|-0.00001533|0.00001966|0.00002397|0.00016783|-0.00019624|-0.00000908|-0.00003117|0.00011194|0.00044695|0.00001369|0.00014130|0.00015811|0.00007391|-0.00093103|0.00018033|0.00133354|0.14190799|0.00160876|0.17371299|0.00019533|0.00050007|0.00035784|0.00018041|0.00122386|0.00223677|-0.00171380|-0.00791975|-0.00605652|-0.38974280|0.23902265|0.04283877|0.00341853|-0.01071169|0.00218577|0.00150427|-0.00068621|-0.00131871|0.00050983|-0.00265136|-0.00160121|0.00028378|-0.00033061|0.00035412|-0.00007705|-0.00003170|-0.00018352|0.00019350|-0.00020942|-0.00048086|0.00000138|0.00003077|-0.00005928|-0.00004453|-0.00002039|0.00003740|0.00003245|-0.00019152|0.00028090|0.00009696|-0.00020500|-0.00015514|-0.00031336|0.00007449|-0.00026788|-0.00049250|-0.00020106|0.00023361|0.00216172|-0.00046892|0.00064612|0.38287774|-0.00002849|0.00029450|0.00031357|-0.00053679|0.00018618|0.00029729|0.00918402|-0.00665073|0.00111453|0.17631446|-0.12506972|-0.01070074|0.02905552|-0.02872464|0.00228002|0.00209935|-0.00143537|0.00442283|0.00202330|-0.00280057|-0.00184694|0.00052342|-0.00063693|0.00055807|-0.00015355|-0.00005295|-0.00022565|0.00023313|-0.00030087|-0.00057557|0.00000813|0.00000435|-0.00015533|-0.00006129|-0.00003116|0.00008703|-0.00001047|-0.00022086|0.00036149|0.00006868|-0.00023603|-0.00013983|-0.00023704|0.00020199|-0.00024427|-0.00001570|-0.00013117|0.00026262|-0.00046283|0.00129831|0.00162704|-0.21719754|0.16598332|-0.00012770|-0.00020008|0.00028993|-0.00081727|-0.00193624|-0.00267354|0.03344891|-0.01881632|0.00344035|0.03989985|-0.00430411|-0.07972013|-0.03498267|0.01539847|0.00572030|-0.00006079|0.00715608|-0.00585878|-0.00011664|-0.00256642|-0.00708344|0.00094371|-0.00052209|0.00110293|-0.00003261|-0.00018218|-0.00034541|-0.00004563|0.00037188|0.00096740|0.00019131|-0.00013744|-0.00020896|0.00002949|-0.00001055|0.00017058|0.00004032|0.00020641|-0.00010083|-0.00002998|0.00007393|-0.00003926|-0.00000866|0.00011414|0.00003458|0.00097798|0.00003586|-0.00038873|-0.00075650|0.00052499|0.00119276|-0.03953214|0.00304153|0.08174048|-0.00018022|-0.00002737|0.00002588|0.00044008|-0.00064424|-0.00060508|-0.00002510|0.00290195|0.00475232|0.01079098|0.00684202|0.00159557|-0.00889019|0.01193909|-0.01551796|-0.05458625|0.04253351|-0.01798036|0.00736658|-0.00788822|0.00515379|-0.00032026|-0.00045676|0.00010482|0.00007757|0.00017956|-0.00039528|-0.00024318|0.00035612|-0.00060330|-0.00012951|0.00002337|0.00014219|-0.00010734|0.00010580|-0.00023364|-0.00000165|0.00002546|0.00002072|-0.00000441|-0.00007105|-0.00008062|-0.00006754|-0.00008567|-0.00007790|0.00012122|0.00007869|-0.00015798|-0.00016914|0.00011421|-0.00023443|0.00102545|-0.00090357|0.00128173|0.04521467|-0.00002407|0.00003962|-0.00004275|0.00007394|-0.00008853|0.00009094|0.00057691|0.00021098|-0.00167842|0.00794964|0.00029885|-0.00130048|0.00181179|-0.02748770|0.01526693|0.04451788|-0.26065024|0.14847737|0.00081832|0.00416879|-0.00245581|-0.00010885|0.00013437|0.00078845|-0.00082199|-0.00049523|0.00019702|-0.00013971|-0.00016212|0.00004055|0.00016371|0.00004335|0.00012139|-0.00007872|0.00017235|-0.00011203|-0.00000122|0.00002467|-0.00001169|-0.00001679|-0.00001266|0.00001488|0.00003986|-0.00000134|-0.00000008|-0.00008320|0.00000198|0.00003293|-0.00012348|0.00039905|0.00008332|-0.00009494|-0.00176593|0.00169026|-0.05451374|0.28542411|0.00021387|-0.00008617|-0.00035317|0.00027012|0.00098270|0.00069562|0.00149212|-0.00031635|-0.00488085|0.00503122|-0.00350864|0.00101471|-0.00063213|-0.01738266|0.01441710|-0.02271031|0.15890383|-0.18110835|-0.00654511|0.02123644|-0.00455647|0.00041388|0.00110643|0.00147396|0.00008623|-0.00054125|-0.00043788|-0.00038176|0.00008995|-0.00112972|-0.00007138|-0.00027606|-0.00026818|0.00017804|-0.00008108|0.00036456|-0.00004386|0.00006702|-0.00000220|0.00008840|0.00014268|0.00002368|0.00002352|0.00002171|0.00004427|-0.00005146|-0.00013615|0.00004135|-0.00033000|0.00123434|-0.00004968|0.00024505|-0.00089513|0.00133676|0.02322597|-0.15980911|0.17338855|-0.00007856|0.00003021|-0.00004239|0.00016312|0.00000968|-0.00003101|0.00008117|-0.00027295|-0.00005875|0.00002162|0.00008539|-0.00046097|0.00049576|-0.00034851|-0.00047605|0.00059791|-0.00217262|-0.00057828|0.00462722|-0.00131089|-0.00697385|-0.08968477|-0.01278750|0.09880013|-0.00035323|-0.00283105|0.02135549|0.00104664|0.00033529|-0.00108291|0.00004340|0.00000535|-0.00005673|0.00003294|0.00000782|0.00000622|0.00000070|0.00004297|0.00000300|-0.00001825|-0.00003191|0.00000381|-0.00000360|-0.00001370|-0.00000491|0.00011939|0.00002538|-0.00008137|-0.00021331|0.00012865|-0.00001950|-0.00000203|-0.00001935|-0.00003555|-0.00014203|0.00020958|0.00006090|0.08174814|-0.00010650|-0.00009055|0.00021802|0.00013245|0.00000483|-0.00067366|0.00010493|0.00091306|0.00002329|-0.00049951|-0.00002603|0.00049407|0.00186168|0.00041255|-0.00218956|-0.00279097|-0.00500594|-0.00013266|0.00709305|0.00486997|-0.02757223|-0.01229587|-0.06622197|0.01153003|-0.01344988|0.00260148|0.03079852|0.00081842|0.00077854|-0.00033160|-0.00010419|0.00012308|0.00006089|-0.00002212|0.00000190|0.00005961|0.00000376|0.00001551|-0.00001148|-0.00000220|-0.00001170|-0.00000521|0.00004570|0.00011388|0.00005066|-0.00004664|-0.00033719|0.00039338|0.00030870|-0.00027811|0.00037610|0.00003325|0.00006881|0.00010266|0.00016619|0.00008643|-0.00035376|0.02339538|0.06414631|-0.00013369|-0.00003755|0.00021574|0.00001604|-0.00025660|-0.00026602|-0.00008687|0.00008435|-0.00098769|-0.00019166|-0.00064779|0.00042887|0.00094779|0.00040195|-0.00186580|-0.00118117|-0.00421190|0.00082556|0.00759609|0.00267201|-0.01629705|0.09862058|0.01526533|-0.32860495|0.00379170|-0.00171921|-0.00573776|0.00166606|0.00070546|-0.00005152|-0.00043510|0.00028761|0.00034084|-0.00000877|-0.00005180|-0.00006644|0.00001468|0.00002392|-0.00002156|-0.00003161|-0.00004111|0.00000301|0.00007144|0.00010123|0.00003127|-0.00007736|-0.00006956|0.00052463|0.00023395|-0.00031510|0.00016404|0.00001434|0.00006821|0.00006184|0.00010885|0.00016907|-0.00003552|-0.11106478|-0.01384689|0.34742152|-0.00016944|0.00005602|0.00004459|0.00029613|-0.00012063|0.00011295|-0.00134004|-0.00104432|-0.00197321|0.00025401|-0.00047426|-0.00015615|0.00029445|-0.00036873|0.00014551|-0.00000970|0.00047419|0.00072010|0.00982565|-0.00716312|0.00514485|0.00125347|-0.01644897|-0.01376042|-0.06110533|-0.04851443|-0.02960285|0.00006730|0.00088970|0.00082611|0.00019138|0.00012642|-0.00016044|0.00002025|0.00000567|0.00002726|0.00001750|0.00003298|0.00000115|-0.00003688|-0.00005819|-0.00000245|0.00001570|0.00000033|-0.00000819|-0.00007634|-0.00002441|0.00003449|-0.00001646|0.00013239|-0.00006278|-0.00006414|-0.00011164|-0.00022204|-0.00003771|0.00011810|-0.00013130|-0.00654283|0.00439889|-0.00257711|0.05091590|0.00010430|-0.00003107|0.00006740|-0.00021309|0.00002341|0.00000634|0.00017759|0.00056692|0.00042012|-0.00011065|0.00004266|0.00013605|0.00020535|0.00014353|-0.00041970|-0.00003989|0.00000142|0.00077064|-0.00832146|0.00183147|0.00163675|-0.00482966|-0.01671588|-0.02274060|-0.05076185|-0.22445504|-0.15102872|0.00029464|-0.00123182|-0.00156326|-0.00030574|-0.00024570|0.00052692|-0.00008105|-0.00005015|-0.00019276|0.00000462|-0.00007285|-0.00000128|-0.00001359|0.00001042|-0.00000300|-0.00000504|0.00000624|-0.00000577|0.00003132|-0.00003838|0.00006304|0.00015973|-0.00010825|0.00007099|-0.00000954|0.00003772|0.00001656|0.00003053|0.00007362|-0.00020694|0.00418145|-0.00126740|0.00169441|0.05892256|0.23411733|-0.00006636|0.00002707|-0.00000360|0.00007034|-0.00011483|0.00001596|-0.00024416|-0.00040558|-0.00048942|0.00004855|-0.00051133|0.00028690|-0.00034541|0.00025258|0.00000933|-0.00005391|0.00011373|-0.00052407|0.00470617|-0.00025390|0.00071528|0.00372033|0.01037898|0.01180100|-0.03247971|-0.15639153|-0.20854534|0.00012245|0.00055820|0.00069111|0.00014443|0.00008582|-0.00020103|0.00002548|0.00000605|0.00005906|0.00000712|0.00001335|0.00000282|-0.00001929|-0.00002476|0.00000993|0.00001715|0.00000624|0.00000359|-0.00004214|0.00001327|-0.00000281|-0.00007026|0.00006085|0.00000501|0.00003643|0.00004791|0.00006415|0.00013278|-0.00013769|0.00041693|-0.00271396|0.00137980|0.00080435|0.03317200|0.16712218|0.20989486|0.00007846|0.00000316|-0.00004145|-0.00009374|0.00010258|0.00005540|0.00061606|0.00064149|0.00082541|-0.00025159|0.00053400|-0.00027144|0.00006488|0.00022163|-0.00012002|0.00011097|-0.00120488|0.00020391|-0.00599554|0.00458621|-0.00168470|-0.00043908|-0.00228019|0.01950697|-0.09607754|-0.02390471|0.10949822|0.00009129|-0.00043664|-0.00036755|-0.00006733|-0.00002029|0.00017054|-0.00004025|0.00002740|-0.00010479|-0.00000854|-0.00001474|-0.00000250|0.00000981|0.00001593|-0.00000144|-0.00001764|-0.00003293|-0.00001711|0.00004809|0.00004064|-0.00011805|-0.00006570|0.00002532|-0.00007187|-0.00001364|0.00005199|-0.00003045|-0.00010446|-0.00029203|-0.00098315|0.00853023|-0.00853797|0.00384773|0.00640151|0.00061656|-0.00613324|0.08724346|0.00000663|0.00001721|-0.00002577|0.00003195|0.00000773|0.00007980|-0.00058155|-0.00020759|-0.00020477|0.00035722|0.00056197|-0.00057354|0.00043630|-0.00099125|0.00025354|-0.00076679|-0.00046111|-0.00007908|0.00424484|-0.00060145|0.00144374|-0.01139971|0.00410220|0.02966511|-0.02242884|-0.06985866|0.02639775|-0.00026814|0.00043763|0.00026587|0.00012227|-0.00001770|-0.00012238|0.00002151|-0.00000605|0.00003899|-0.00000342|0.00000084|0.00000542|0.00001135|0.00000352|-0.00001111|-0.00002429|-0.00002712|-0.00001495|0.00001007|0.00003631|-0.00009028|0.00002235|-0.00002087|-0.00006459|-0.00006043|-0.00017642|-0.00018739|-0.00048115|-0.00025321|-0.00057957|-0.00852748|-0.00111276|-0.00043086|0.00916960|0.00723938|-0.02218736|0.02990715|0.06139409|0.00000704|-0.00001069|0.00000937|-0.00006722|-0.00000237|-0.00006502|0.00041393|0.00025217|0.00029989|0.00012313|-0.00009245|0.00021317|-0.00071806|0.00018875|0.00002144|-0.00065312|-0.00059730|-0.00090251|-0.00237282|0.00059396|-0.00066420|0.00348895|-0.00015180|-0.00381202|0.11240799|0.03163241|-0.32982530|0.00018174|-0.00013163|-0.00007379|-0.00006399|0.00002362|-0.00002594|0.00001435|-0.00000409|0.00001411|-0.00000269|0.00000662|-0.00000466|0.00000150|0.00000348|0.00000427|0.00001128|0.00001623|0.00000929|0.00000180|-0.00001208|0.00003446|-0.00005661|0.00000276|-0.00003955|0.00007742|0.00007357|0.00013541|-0.00059769|-0.00139953|-0.00020246|0.00371937|-0.00066543|0.00217666|0.00835033|0.00366882|-0.01504998|-0.12417634|-0.03340170|0.34766740|-0.00101578|-0.00002480|-0.00040702|-0.00629660|0.00541710|0.00612639|-0.00405751|0.00064353|-0.00297736|0.00092433|0.00006150|-0.00030476|0.00035879|-0.00028822|0.00233033|-0.00352775|0.00028920|-0.00233476|-0.01204243|0.01316322|0.01875522|0.00181945|0.00107565|0.00256227|0.00016045|-0.00041428|-0.00064548|-0.13506393|0.07987663|0.10131145|0.01228173|-0.01303492|-0.01741073|0.00090412|-0.00095085|-0.00075230|0.00007272|0.00026401|0.00010942|0.00014330|0.00008869|0.00001588|-0.00006416|0.00007333|0.00004240|0.00105021|0.00049634|-0.00061708|-0.00113174|0.00053964|-0.00022467|-0.00003714|0.00002034|-0.00011058|-0.00004510|-0.00005045|0.00038734|-0.00040581|-0.00059631|-0.00127845|-0.00014171|-0.00000736|-0.00003728|0.00001932|0.00023142|-0.00010600|0.14849318|0.00305709|-0.00081939|0.00154899|0.01083751|-0.01234278|-0.02142479|0.00112779|-0.00178931|0.00222781|-0.00007659|0.00044057|-0.00088595|0.00062386|-0.00006492|0.00199099|-0.00280996|-0.00036830|-0.00132457|-0.00827198|0.00946749|0.01430354|0.00042674|0.00090770|0.00018242|-0.00006357|0.00024361|0.00044525|0.07968605|-0.14543526|-0.10415785|0.00478698|-0.00355492|-0.00639774|0.00028679|-0.00013663|0.00126895|-0.00045895|-0.00114656|0.00009740|-0.00036159|-0.00011456|0.00004295|-0.00007155|0.00022730|-0.00005477|-0.00125303|0.00206021|-0.00002583|0.00081205|0.00083574|-0.00075603|-0.00004755|-0.00001333|-0.00003793|-0.00001734|0.00001379|0.00023283|-0.00012905|0.00014072|0.00002911|0.00002547|0.00006471|-0.00003781|-0.00001606|-0.00003029|-0.00001396|-0.08639818|0.14936494|-0.00145112|0.00035492|-0.00046733|-0.00865150|0.00965467|0.01238673|-0.00104163|0.00118918|-0.00065106|-0.00013851|-0.00010405|0.00080133|-0.00052656|0.00023768|-0.00113618|0.00172256|-0.00007753|0.00105389|0.00248371|-0.00348798|-0.00688954|-0.00206612|-0.00175537|0.00036427|-0.00010352|0.00037208|0.00016815|0.09753068|-0.10187015|-0.18647356|0.01676484|-0.01871198|-0.02277895|0.00163848|0.00054622|0.00139978|0.00018369|0.00045202|-0.00004339|0.00014476|-0.00013778|-0.00003213|-0.00001175|0.00016343|0.00006878|0.00059232|0.00004859|0.00198852|-0.00056908|-0.00043302|0.00022108|0.00005460|0.00007710|0.00010078|0.00002762|-0.00001982|-0.00024278|-0.00034372|0.00021824|0.00073618|0.00004752|0.00001734|0.00000637|0.00001875|-0.00011891|0.00003953|-0.10074840|0.11346443|0.20169085|-0.00027411|0.00056527|0.00021254|0.00054314|0.00026032|0.00033015|-0.00000816|-0.00018772|-0.00073786|0.00026809|-0.00005642|0.00016365|-0.00155908|-0.00069261|0.00043941|-0.00128719|-0.00076143|-0.00035160|0.00086507|0.00001321|0.00068350|0.00009399|-0.00011263|-0.00015360|-0.00003006|0.00003119|0.00012343|0.01243305|-0.01126306|-0.01587246|-0.11624683|0.06795405|0.08615254|-0.00986474|0.02111477|0.02827365|-0.00002246|0.00000580|-0.00007281|-0.00002593|-0.00005369|0.00010472|0.00021398|0.00044181|-0.00057228|0.00005990|0.00001017|0.00017332|-0.00004701|-0.00000985|0.00008558|0.00005414|0.00022456|0.00009883|0.00006305|0.00009895|0.00009462|-0.00003341|0.00008022|0.00018304|-0.00000160|0.00001327|0.00000489|-0.00001423|-0.00005741|0.00001712|-0.00254977|-0.00101450|-0.00428154|0.12147638|0.00009018|-0.00047799|-0.00001914|-0.00047258|0.00007059|-0.00073088|0.00001588|0.00004117|-0.00026323|-0.00021019|-0.00037404|0.00004339|0.00025350|0.00108407|0.00034804|-0.00028139|-0.00110330|-0.00074027|0.00057969|0.00013205|0.00030256|0.00004109|-0.00007372|-0.00000744|0.00000319|0.00000437|0.00000391|0.00351142|0.00082778|-0.00436310|0.06895410|-0.14182878|-0.12717775|0.00457217|0.00138370|-0.01048333|-0.00002860|0.00009790|0.00000606|-0.00003916|-0.00005719|0.00004595|0.00038676|-0.00064327|0.00110829|-0.00023565|0.00014298|-0.00010602|-0.00007134|-0.00001919|0.00008873|0.00011929|0.00012320|0.00013229|-0.00013942|-0.00013606|0.00012054|-0.00000286|0.00005628|0.00008186|0.00000381|0.00000293|0.00001566|-0.00002756|-0.00002438|0.00001222|-0.00054809|0.00131988|-0.00103790|-0.07888541|0.13570093|-0.00007778|-0.00008665|-0.00064876|0.00059782|-0.00047307|0.00047942|-0.00053130|-0.00035939|-0.00080837|0.00057813|0.00049941|-0.00024727|0.00059370|0.00024811|0.00115229|0.00057547|-0.00039531|-0.00005883|0.00043010|0.00001308|-0.00033176|-0.00025276|-0.00003263|0.00004737|-0.00004918|-0.00001425|0.00002121|0.01233825|-0.01496337|-0.01581829|0.08843285|-0.12827766|-0.23859907|-0.00377051|0.00085894|0.00756507|0.00010941|0.00018587|0.00045605|-0.00002603|0.00001097|0.00002350|-0.00021072|0.00095987|0.00032253|0.00010184|0.00022189|0.00021168|-0.00008581|0.00004555|0.00005244|0.00007089|0.00017990|0.00007786|-0.00011138|0.00000224|0.00008003|0.00005118|0.00010230|0.00019223|0.00001205|-0.00003606|0.00001826|-0.00001188|-0.00005116|0.00003498|-0.00375477|-0.00122207|-0.00355029|-0.09356066|0.14291260|0.24624491|-0.00004119|-0.00018605|-0.00003796|-0.00048306|-0.00123840|-0.00115074|0.00004683|0.00010119|-0.00008370|-0.00001618|0.00007798|0.00007237|-0.00002526|-0.00003739|0.00021636|-0.00001128|-0.00000199|-0.00018928|0.00020370|-0.00008854|-0.00026095|-0.00012928|0.00010198|0.00010581|0.00000105|-0.00008089|-0.00004936|-0.00262423|0.00688234|0.00012730|-0.01424126|-0.00906461|-0.03110708|-0.15980519|-0.03046441|-0.13659341|0.00001611|0.00008969|0.00002026|0.00004901|0.00001758|-0.00000381|0.00000683|0.00004217|0.00005615|-0.00039916|0.00035135|-0.00022594|-0.00012305|-0.00001213|0.00006336|-0.00002639|-0.00003839|0.00001103|-0.00004022|-0.00002173|0.00006772|-0.00000002|0.00001925|0.00000824|-0.00000635|-0.00003401|0.00000201|-0.00001879|0.00000615|0.00000699|0.00034358|-0.00017680|0.00003614|0.00028543|-0.00259944|0.00154208|0.16497048|0.00000135|-0.00025884|0.00002384|-0.00094760|-0.00108226|-0.00114383|0.00011870|0.00020495|-0.00024655|-0.00000911|-0.00018720|0.00021210|-0.00005232|-0.00001755|-0.00019397|-0.00032137|-0.00001828|0.00025193|0.00072753|0.00024293|0.00236569|0.00058450|-0.00012626|-0.00027455|0.00000706|0.00014397|0.00014127|0.00552409|0.01119694|-0.00664753|0.00819062|0.00815423|0.00951902|-0.03331019|-0.06769661|-0.06740150|0.00001066|0.00002857|0.00001533|0.00000964|-0.00004888|0.00003120|0.00004511|0.00001115|0.00006627|-0.00030377|0.00025683|-0.00018586|-0.00007818|-0.00016589|0.00009536|0.00001069|0.00001210|0.00000701|-0.00001916|0.00000294|-0.00000610|-0.00000740|0.00001180|0.00004452|-0.00003222|0.00007122|-0.00002707|0.00001140|-0.00001169|0.00000154|-0.00008910|0.00013505|0.00033716|-0.00285984|-0.00633582|0.00401722|0.03278085|0.05536953|-0.00006315|0.00015261|-0.00004490|0.00040090|0.00044639|0.00092197|-0.00023771|-0.00006186|0.00002965|-0.00000935|0.00011314|-0.00008799|-0.00000171|-0.00001934|0.00020259|0.00009610|0.00008352|-0.00024812|-0.00033847|0.00013278|-0.00112541|-0.00027954|0.00010374|0.00014504|-0.00001434|-0.00007243|-0.00008854|-0.00184155|-0.00586092|0.00395889|0.00167427|-0.00190437|0.00355475|-0.14191943|-0.06560349|-0.26655565|-0.00000222|0.00002569|-0.00001175|0.00000084|0.00000659|-0.00003911|-0.00003907|-0.00001591|-0.00001995|0.00019927|-0.00016356|0.00010261|-0.00002763|0.00010545|-0.00004338|-0.00001107|-0.00002795|-0.00000510|-0.00000331|-0.00001064|0.00001363|0.00001873|-0.00001181|0.00000032|0.00001516|-0.00004774|0.00001114|-0.00001021|0.00000431|0.00000823|0.00010598|0.00028024|0.00053276|0.00106631|0.00420998|-0.00061415|0.15482921|0.07268166|0.27363481|0.00001901|0.00009748|0.00015754|0.00036063|0.00017257|0.00002881|0.00012467|-0.00000329|0.00024583|-0.00018361|-0.00015910|0.00002389|-0.00003041|0.00003284|-0.00025266|0.00007916|0.00015688|0.00009743|-0.00003498|0.00002389|-0.00041004|-0.00008050|0.00003199|0.00004629|0.00002028|-0.00008006|-0.00001126|0.00057395|-0.00200536|0.00349235|-0.00972419|0.02044274|0.02802568|-0.12483732|0.07401139|0.08875838|-0.00002844|-0.00005081|-0.00009298|0.00000393|0.00000729|-0.00001036|0.00001884|-0.00013743|-0.00010049|-0.00000236|-0.00005774|-0.00002344|0.00004552|0.00002146|-0.00003408|-0.00000810|-0.00003026|-0.00001395|-0.00000528|-0.00000776|0.00000147|-0.00003038|-0.00000973|-0.00005397|-0.00000473|-0.00000898|-0.00000442|-0.00000599|0.00002041|-0.00000841|-0.00019174|-0.00050361|-0.00131223|-0.00439163|0.00501061|-0.00299100|0.01206790|-0.00999193|-0.01360800|0.12624578|0.00006193|0.00019510|-0.00009616|0.00057564|0.00063953|0.00057860|-0.00014081|-0.00008186|-0.00007868|-0.00009959|-0.00005677|0.00002822|0.00009115|0.00028395|0.00017042|0.00022207|-0.00014296|-0.00022361|-0.00044205|0.00035719|-0.00070597|-0.00014336|0.00004315|0.00007484|0.00000710|-0.00006397|-0.00003239|-0.00359922|-0.00725761|0.00333673|0.00473665|0.00010968|-0.01026348|0.07679603|-0.13713219|-0.12554144|-0.00006975|-0.00004133|-0.00001977|-0.00006565|-0.00008087|0.00006170|-0.00002522|0.00000045|-0.00007083|0.00023351|-0.00018872|0.00013284|0.00000868|0.00008503|-0.00001627|0.00002256|0.00003620|0.00002868|-0.00004882|-0.00004189|0.00004048|-0.00000189|0.00000650|-0.00000065|0.00000480|-0.00001644|0.00001014|-0.00001750|-0.00000033|0.00000687|0.00016195|0.00059454|0.00062145|0.00514099|0.01008592|-0.00434634|0.00357426|0.00010706|-0.00454608|-0.08698348|0.13256064|0.00003419|-0.00008397|-0.00010170|-0.00045440|-0.00028670|0.00007379|-0.00016304|0.00005525|-0.00009979|0.00013179|0.00006418|0.00001265|-0.00006397|-0.00012876|-0.00002895|-0.00014250|-0.00001041|0.00011469|0.00016467|0.00008354|0.00057178|0.00015998|-0.00007628|-0.00009162|-0.00001028|0.00010719|0.00002338|0.00035075|0.00460332|-0.00121378|-0.00219779|0.00014224|0.00579371|0.09422139|-0.12740441|-0.22702694|0.00003423|0.00001651|0.00004609|0.00001074|0.00001130|-0.00001364|-0.00003087|0.00002740|0.00007721|-0.00001603|0.00002399|-0.00000800|-0.00002509|-0.00003759|0.00002844|-0.00000372|-0.00000130|-0.00001194|0.00002667|0.00000270|-0.00004390|0.00000588|-0.00001327|0.00000724|0.00000288|0.00002828|0.00000020|0.00001927|-0.00001113|-0.00000277|-0.00003706|0.00022437|0.00070622|-0.00260449|-0.00450300|0.00369696|0.01253718|-0.01368416|-0.01423233|-0.10195040|0.14085070|0.23172300| 162.11570 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| 52.5503 60.8563 89.3068 173.5015 217.6412 234.0695 238.7411 255.3013 273.7854 382.2894 387.1027 438.8226 484.0284 575.9457 618.6752 642.6671 693.7003 736.2829 759.9488 830.5072 880.7085 898.4486 952.3785 968.6446 1004.7106 1061.8336 1068.4964 1075.6608 1078.4827 1105.6835 1127.0067 1135.8953 1145.7995 1157.8343 1162.2934 1177.3756 1238.0078 1260.8894 1282.4376 1325.4906 1360.5806 1386.7077 1413.9898 1440.6153 1451.3939 1456.9454 1473.9820 1509.0883 1517.3922 1565.8881 1592.8096 1600.1148 1605.4101 1634.6136 1649.8294 1868.3636 1873.0834 1894.4191 3196.0519 3205.8949 3230.6395 3243.7542 3255.4782 3303.9185 3317.8863 3324.9690 3342.7351 3358.7719 3404.9536 3405.6919 3416.3381 3822.5580 3.5590 2.7523 2.8851 3.2153 1.3612 2.2755 2.5043 2.1633 2.2687 2.7855 3.0951 2.9341 2.8456 3.2432 2.5316 2.9589 2.3477 2.2446 1.8282 2.2105 2.4631 3.4605 1.9352 2.1483 1.8438 2.1455 1.6385 1.3327 1.3356 1.6185 2.6654 1.6898 1.1828 1.5900 1.3708 2.6773 2.0353 2.6785 2.2934 1.7424 2.2262 1.6225 1.4873 1.3494 1.4211 1.3067 1.3176 1.5373 1.6235 1.3275 1.2334 1.2643 1.2328 1.0466 1.0528 4.2652 4.1716 8.0684 1.0703 1.0568 1.0886 1.0876 1.1013 1.0988 1.0816 1.0611 1.0715 1.0941 1.1152 1.0981 1.1150 1.0778 0.0058 0.0060 0.0136 0.0570 0.0380 0.0735 0.0841 0.0831 0.1002 0.2398 0.2733 0.3329 0.3928 0.6338 0.5709 0.7200 0.6656 0.7169 0.6221 0.8983 1.1256 1.6458 1.0342 1.1876 1.0966 1.4253 1.1022 0.9085 0.9153 1.1658 1.9946 1.2846 0.9149 1.2559 1.0910 2.1866 1.8379 2.5089 2.2223 1.8036 2.4281 1.8383 1.7520 1.6501 1.7638 1.6342 1.6866 2.0627 2.2024 1.9178 1.8437 1.9072 1.8721 1.6477 1.6884 8.7723 8.6231 17.0604 6.4415 6.3995 6.6939 6.7423 6.8770 7.0669 7.0151 6.9113 7.0541 7.2720 7.6176 7.5039 7.6672 9.2791 0.4955 0.3741 0.1540 0.7602 0.2777 2.0396 0.5396 1.0204 1.7632 0.5435 1.0573 4.5195 1.3752 6.3970 31.5759 5.9460 8.4741 2.0214 30.6504 83.6842 4.9261 39.0875 3.8502 12.4405 8.8748 5.4554 14.6872 40.0758 42.8166 1.9380 16.4717 0.8241 4.6012 4.2145 8.5968 12.5429 3.2633 0.9901 2.8953 1.1994 0.5943 3.7671 1.8513 2.4486 3.2944 1.0199 4.9418 2.7151 12.1295 3.9159 1.7821 18.4969 4.9118 3.4463 4.8155 10.2372 7.1189 6.4876 18.2984 40.5745 70.7717 36.8583 42.6883 23.0837 19.8522 18.2269 9.0692 2.4838 24.4503 6.4101 21.4503 12.9156 4.6917 8.7365 4.6561 2.0484 0.1719 2.1225 4.4010 1.3910 3.3645 2.3018 9.2802 2.9609 3.4088 2.4168 2.1158 2.5373 7.6635 7.4271 3.0485 2.9090 4.1842 9.0553 6.4455 7.3516 6.9324 11.8576 5.2155 1.0838 1.4850 10.0043 4.0228 5.7849 0.4165 1.6969 7.1364 9.7937 2.5372 6.5824 11.9942 2.1138 1.5516 6.2367 0.7620 7.0489 18.8771 31.9377 10.9693 2.1326 10.5398 0.9381 25.9773 5.3550 21.4987 19.3677 11.4634 79.8084 47.1073 19.4346 56.4965 97.0138 105.9905 76.9920 84.4368 29.8867 32.4009 79.1224 129.9920 51.2144 76.9553 83.2504 82.1658 147.7718 0.7499 0.7498 0.7458 0.7198 0.6326 0.7277 0.7456 0.7209 0.7485 0.7424 0.1447 0.6698 0.3332 0.7500 0.7021 0.7065 0.2492 0.1199 0.5933 0.6442 0.3207 0.7498 0.5375 0.1682 0.1627 0.4976 0.6678 0.7468 0.6387 0.6579 0.6991 0.6279 0.6892 0.1430 0.6150 0.7488 0.6256 0.6513 0.4681 0.6527 0.6783 0.7500 0.6530 0.5539 0.7303 0.2804 0.7497 0.7430 0.7400 0.7138 0.3445 0.7473 0.2475 0.7235 0.7470 0.1008 0.3990 0.3054 0.5136 0.0761 0.3406 0.1211 0.7481 0.7435 0.6249 0.1169 0.1354 0.3452 0.6568 0.1956 0.7406 0.3026 0.8571 0.8570 0.8544 0.8371 0.7750 0.8424 0.8543 0.8378 0.8561 0.8522 0.2529 0.8023 0.4999 0.8571 0.8250 0.8280 0.3990 0.2142 0.7447 0.7836 0.4857 0.8570 0.6992 0.2880 0.2799 0.6645 0.8008 0.8551 0.7795 0.7937 0.8229 0.7715 0.8160 0.2502 0.7616 0.8564 0.7697 0.7888 0.6377 0.7898 0.8083 0.8571 0.7900 0.7129 0.8441 0.4380 0.8570 0.8525 0.8506 0.8330 0.5125 0.8554 0.3968 0.8395 0.8552 0.1831 0.5704 0.4679 0.6787 0.1415 0.5081 0.2161 0.8559 0.8529 0.7691 0.2093 0.2384 0.5132 0.7929 0.3272 0.8510 0.4646 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 6 7 7 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 12.00000 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 1502.71162 2094.18013 2432.39158 0.99971 0.02392 0.00280 -0.02374 0.99824 -0.05431 -0.00409 0.05422 0.99852 1 0.05764 0.04136 0.03561 1.20099 0.86179 0.74196 75.61 87.56 128.49 249.63 313.14 336.77 343.50 367.32 393.92 550.03 556.95 631.37 696.41 828.66 890.14 924.65 998.08 1059.35 1093.40 1194.91 1267.14 1292.67 1370.26 1393.66 1445.55 1527.74 1537.33 1547.64 1551.70 1590.83 1621.51 1634.30 1648.55 1665.87 1672.28 1693.98 1781.22 1814.14 1845.14 1907.09 1957.57 1995.16 2034.42 2072.72 2088.23 2096.22 2120.73 2171.24 2183.19 2252.96 2291.70 2302.21 2309.83 2351.84 2373.74 2688.16 2694.95 2725.65 4598.41 4612.57 4648.17 4667.04 4683.91 4753.60 4773.70 4783.89 4809.45 4832.52 4898.97 4900.03 4915.35 5499.81 0.240070 0.250998 0.251942 0.202943 -495.364656 -495.353728 -495.352784 -495.401783 1.643435D-04 MUNgauss RevisionA2.1 retrievium 09-Sep-2022 GDB_13 Smiles: CC1C2NN=CC2(C=C)C1C=C RHF 6-31G(d) (6D,10F) C1 162.115699 |X|Y|Z| 24.215953 30.560266 19.877882 24.502455 7 6 7 5 2 |36.858105| |12.535723|36.858105| |7.194535|12.366339|36.858105| |6.296881|7.515100|13.012182|53.358707| |4.619690|5.529409|8.138258|18.652803|53.358707| |4.415378|5.779974|8.095422|11.966883|20.666552|36.858105| |5.379508|8.690515|12.263668|11.048979|11.173575|12.654801|36.858105| |4.064221|5.979210|7.294684|7.105769|7.335833|7.463451|12.676354|36.858105| |3.213737|4.281924|5.253612|5.875754|6.508446|6.413233|7.550516|14.438827|36.858105| |7.109448|12.179131|8.698056|8.709156|7.974234|7.250022|12.057297|7.383156|5.034527|36.858105| |6.243095|7.288673|5.926965|7.657150|7.644717|6.495525|7.266786|5.020915|3.962317|12.693166|36.858105| |4.752113|5.142330|4.254228|5.516685|5.645007|4.745856|5.124894|4.112745|3.418991|7.645664|14.436930|36.858105| |17.527741|8.845332|6.371044|7.718620|5.583167|3.821666|4.540454|3.642378|2.958488|5.313691|4.632640|3.739528|0.500000| |17.545328|8.833514|5.360966|6.436651|5.181335|3.775268|4.556369|3.649516|2.926129|6.398947|6.012029|5.011219|0.301434|0.500000| |17.609817|8.791061|6.604691|9.535026|6.991968|4.636692|5.127989|3.760811|3.065124|6.424896|6.613371|4.910720|0.301934|0.300993|0.500000| |8.921027|17.524969|8.884995|7.593723|5.983466|4.699081|7.028284|5.916895|4.227914|8.814445|5.553451|4.388021|0.216266|0.212126|0.173609|0.500000| |5.789585|8.470277|17.549756|12.209234|8.588764|6.172295|8.360109|6.783828|5.196789|6.137912|4.462851|3.462570|0.159849|0.125748|0.144104|0.219275|0.500000| |5.362541|5.865428|9.092476|25.991560|13.222342|6.476661|5.964637|4.400930|3.832277|4.857182|4.367901|3.358164|0.146752|0.114550|0.163686|0.132120|0.228806|0.500000| |3.613538|4.484437|5.599901|8.144439|12.824607|17.747279|8.278887|6.452452|6.346994|5.760223|5.643138|4.529974|0.088079|0.089440|0.105430|0.106592|0.129649|0.135892|0.500000| |4.084132|6.028796|6.364353|6.063468|5.871560|5.436021|8.702990|17.652375|9.229731|6.991537|4.640442|3.952585|0.102798|0.104802|0.100829|0.186047|0.172857|0.107061|0.133496|0.500000| |2.823347|3.638189|4.220276|4.788819|5.137409|4.709716|5.454790|9.127639|17.716558|4.131542|3.339607|2.993728|0.073394|0.072794|0.074174|0.103555|0.120092|0.089302|0.131760|0.221798|0.500000| |3.014288|3.864109|4.883134|5.974704|7.162262|7.110948|6.767830|9.047165|17.715926|4.512696|3.802689|3.278768|0.077245|0.075748|0.082221|0.102142|0.132034|0.109493|0.214993|0.173829|0.289731|0.500000| |5.701913|8.563077|6.307690|6.471237|6.128167|5.562541|8.545159|7.258449|4.987961|17.573781|9.020313|7.373625|0.125876|0.157277|0.138628|0.225887|0.141256|0.107473|0.134701|0.218453|0.118863|0.118917|0.500000| |6.229029|6.544231|5.915283|8.892906|9.058445|6.863598|6.539029|4.433948|3.650726|8.629528|17.693777|9.205144|0.130680|0.156614|0.209746|0.135325|0.122937|0.138425|0.162185|0.110852|0.085268|0.101044|0.172687|0.500000| |4.089227|4.154543|3.594098|4.905518|5.107509|4.113748|4.143610|3.407526|2.953458|5.482034|9.099251|17.711123|0.092258|0.119916|0.122204|0.099763|0.083189|0.085081|0.112393|0.090360|0.072768|0.080536|0.144686|0.219918|0.500000| |4.253246|4.737900|3.873817|4.799728|4.858969|4.152172|4.720131|4.103263|3.413991|6.927705|9.073055|17.687653|0.095678|0.128206|0.115595|0.119915|0.090416|0.082851|0.111756|0.114177|0.084977|0.088670|0.221567|0.173837|0.289194|0.500000| 495.229351 -2585.590118 949.971312 -70.200189 -1210.589645 714.984919 -495.604725 2.000758 402FFFFFFFFFFFFB 4199E96B43FFFFFB 4132D84E02E8BA2B 409C380000000000 4034000000000000 4112AB43FFFFFFFF