Version2.5 2022-11-02T09:35:19Z 10.1021/ja902302h Gaussian16 RevisionB.01 DOC1ROB 19-Oct-2022 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) GDB_13 Smiles: CC1C(C)N1N1C=CC(=C1)C#C RHF 6-31G(d) (6D,7F) CC1C(C)N1N1C=CC(=C1)C#C C1[X(C10H12N2)] 66 C1 204 CC1C(C)N1N1C=CC(=C1)C#C C#Cc1ccn(c1)N1C(C1C)C CC1C(C)N1n2ccc(c2)C#C InChIKey=CSEYAYIKGVRYCF-UHFFFAOYSA-N InChI=1S/C10H12N2/c1-4-10-5-6-11(7-10)12-8(2)9(12)3/h1,5-9H,2-3H3 InChI=1/C10H12N2/c1-4-10-5-6-11(7-10)12-8(2)9(12)3/h1,5-9H,2-3H3 CC1C(C)N1N1C=CC(=C1)C#C C01[X(C10H12N2)] 66 C1 204 CC1C(C)N1N1C=CC(=C1)C#C CC[C@H]1CC[N@@](C1)[N@@]1[C@@H]([C@@H]1C)C CC[C@H]1CCN(C1)N2[C@@H](C)[C@H]2C InChIKey=ACQFTQJWXZXJFD-WYFGTUCQSA-N InChI=1S/C10H20N2/c1-4-10-5-6-11(7-10)12-8(2)9(12)3/h8-10H,4-7H2,1-3H3/t8-,9+,10-,12-/m0/s1 InChI=1/C10H20N2/c1-4-10-5-6-11(7-10)12-8(2)9(12)3/h8-10H,4-7H2,1-3H3/t8-,9+,10-,12-/m0/s1 4.939346168297D+02 -2.483951281795D+03 665.8492297432 -494.397665 1-A 2302.1013 43 161 204 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -15.64135 -15.61106 -11.27704 -11.27626 -11.25493 -11.24848 -11.23514 -11.23489 -11.22757 -11.21863 -11.21028 -11.20470 -1.37565 -1.24939 -1.08230 -1.02346 -1.01284 -0.99197 -0.97692 -0.88123 -0.81252 -0.78347 -0.75681 -0.72506 -0.70681 -0.68513 -0.63522 -0.61465 -0.60738 -0.59024 -0.57167 -0.56849 -0.56172 -0.56057 -0.54385 -0.51248 -0.49370 -0.46955 -0.44410 -0.39042 -0.37591 -0.30879 -0.28591 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.17185 0.21009 0.21525 0.23640 0.25320 0.25823 0.26933 0.27843 0.28091 0.28401 0.30422 0.32173 0.32685 0.33859 0.34430 0.35339 0.36004 0.36680 0.37568 0.40544 0.41935 0.44844 0.49958 0.51856 0.54571 0.56341 0.61269 0.63605 0.66620 0.67853 0.69337 0.72051 0.73208 0.75701 0.76817 0.77944 0.78656 0.80276 0.81495 0.83143 0.84296 0.84787 0.85805 0.88301 0.89597 0.91806 0.92146 0.94017 0.95057 0.97397 0.98822 0.99706 1.02075 1.03678 1.04266 1.05102 1.07164 1.08637 1.09511 1.11570 1.13874 1.14437 1.15721 1.17043 1.17814 1.17988 1.18935 1.22048 1.22969 1.23518 1.25582 1.26028 1.29207 1.29659 1.33340 1.39151 1.44911 1.47706 1.48568 1.49560 1.50632 1.58456 1.61713 1.65697 1.66400 1.68140 1.71526 1.73188 1.77152 1.79913 1.82436 1.83788 1.84210 1.85307 1.87351 1.88143 1.91918 1.93804 2.00831 2.02864 2.03920 2.05589 2.10082 2.18123 2.19435 2.25149 2.26678 2.27459 2.29647 2.31576 2.32183 2.34436 2.36792 2.37598 2.43491 2.45170 2.47272 2.49839 2.54638 2.55452 2.56676 2.58814 2.59874 2.62298 2.62738 2.64867 2.66072 2.72172 2.73253 2.75175 2.79280 2.81739 2.86053 2.88386 2.91806 2.96606 2.99705 3.06229 3.12708 3.15466 3.17035 3.17888 3.22273 3.26954 3.35798 3.44652 3.50799 3.60036 3.88549 4.39104 4.54662 4.55988 4.59701 4.60757 4.67904 4.72236 4.81327 4.84527 4.87839 4.97645 5.33744

12.45618 -3.5976 0.6258 1.2793 3.8692 |XX|YY|ZZ|XY|XZ|YZ| -65.3192 -65.2407 -76.7495 1.1264 -0.2337 -1.5200

|XX|YY|ZZ|XY|XZ|YZ| 3.7840 3.8625 -7.6464 1.1264 -0.2337 -1.5200

|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| -2.7154 -4.2865 4.0159 -6.5187 13.1882 7.3221 -10.0721 3.1861 -1.3306 0.2506

0 |0.66441088|0.00570253|0.62602681|0.02094623|0.03824791|0.58218765|-0.10392611|0.00125646|-0.01956892|0.60675675|0.00305479|-0.12882781|0.06322861|0.17794610|0.56218624|-0.02129257|0.06701385|-0.20911604|0.11869770|-0.10838945|0.59743846|-0.00483611|0.00438820|0.00637653|-0.06219734|-0.06069120|-0.01804131|0.44382981|0.00202927|-0.01558589|-0.00099128|-0.10595641|-0.27436532|0.04374392|-0.03479647|0.74888368|-0.00081268|0.03471836|0.00913501|-0.01956447|0.02280370|-0.07886303|0.18216873|-0.01584189|0.57282439|0.00262051|0.00064218|0.00088897|-0.01266878|-0.00914744|-0.01817809|-0.12269034|-0.02912641|-0.05778748|0.64454578|-0.00112416|0.00163589|0.00030067|-0.00742834|-0.01403946|-0.02166001|-0.02674987|-0.13819401|-0.05413237|-0.02431710|0.62457745|0.00070768|-0.00100476|0.00088707|0.00896626|0.00262125|0.01540116|-0.05480724|-0.05194344|-0.18090011|-0.00463219|-0.05125092|0.60358331|0.00229598|-0.00140316|0.00447290|-0.17679050|-0.05277569|0.08315901|-0.10738412|0.09987812|0.00660221|0.01629582|-0.00722348|-0.00248208|0.62710700|-0.02234370|0.00393697|0.00891848|0.01019100|-0.04324650|0.06383379|0.03078680|-0.14895701|-0.09814614|0.02060545|-0.01194803|-0.01240058|-0.10465342|0.34664764|0.03176392|-0.01517113|-0.01776863|0.04422864|0.05847919|-0.12384340|-0.00702525|-0.07517419|-0.08692733|0.02837820|-0.00775484|-0.01569779|0.00243267|-0.00111493|0.30421188|0.00539760|-0.00093140|-0.00142441|-0.03581486|0.01280701|-0.01634874|-0.01656512|0.00277927|0.00465721|0.00303679|-0.00143486|-0.00046521|-0.28533594|0.04013322|-0.08121468|0.89395346|0.00187693|0.00041390|-0.00092559|-0.02092562|0.00175633|-0.02840263|0.04238276|-0.00955222|0.03288629|-0.00425213|0.00246738|0.00144341|0.03506066|-0.14641277|0.03215463|-0.01182340|0.76778734|-0.00011061|0.00159727|-0.00042647|0.01701445|-0.00993628|0.00578568|0.01273002|0.00052609|-0.00257658|-0.00036229|-0.00174967|-0.00033673|-0.10860797|0.04284495|-0.07506429|0.13796668|-0.10711409|0.17978335|-0.00076528|-0.00004954|0.00121690|0.00055654|0.00038623|0.00067005|-0.00310166|0.00198508|-0.00691574|0.00005548|0.00002422|0.00015764|-0.00706867|0.04134216|0.00802004|-0.14512493|0.02943216|-0.03482663|0.91048349|0.00083525|0.00219165|-0.00011880|0.00340572|0.00061933|-0.00077896|-0.00129118|-0.00036742|-0.00177435|-0.00050324|-0.00117438|-0.00012259|0.00239986|0.00600708|-0.00409038|0.05101114|-0.31846453|0.04663262|0.17368932|0.78046036|0.00070150|-0.00007881|-0.00111232|0.00149753|-0.00099040|0.00107420|0.00264130|-0.00209455|-0.00284267|0.00006875|0.00032134|0.00077297|-0.00629570|0.01297752|-0.00611256|-0.02447662|0.02460176|-0.07244474|0.07963256|-0.05850441|0.16090330|-0.00041479|0.00022454|-0.00062557|0.00203948|0.00111303|0.00009920|0.00006823|-0.00182115|-0.00059424|-0.00026665|-0.00048523|-0.00043332|-0.00443435|0.00123017|-0.00949758|-0.06233086|0.07943450|-0.00142243|-0.46195358|-0.01579198|-0.05054114|0.83617890|0.00008896|-0.00029725|-0.00028765|-0.00050894|0.00080413|-0.00002421|0.00094538|-0.00092959|0.00271375|-0.00002688|-0.00006681|-0.00018748|-0.00271817|-0.00816502|-0.00817668|0.01702845|-0.02693241|0.02240144|0.01562446|-0.13053836|0.00535377|-0.15405612|0.77619232|-0.00003592|-0.00025306|-0.00023552|0.00016546|-0.00035085|-0.00034396|0.00020348|0.00017418|-0.00027378|-0.00024036|0.00007954|0.00019523|-0.00047017|0.00205517|0.00173726|-0.00894012|0.01398051|0.01144539|-0.04971586|0.00491656|-0.08261972|0.10487482|-0.11004358|0.16996731|-0.00000539|0.00047025|-0.00021923|0.00041594|0.00060425|-0.00209765|0.00156045|-0.00168296|0.00032985|-0.00064345|-0.00013415|-0.00019989|-0.00558798|-0.00301938|-0.00283689|-0.09668282|-0.03792302|0.00077821|-0.03739614|-0.01383267|-0.00483904|-0.13679787|-0.06204139|0.00157729|0.90660735|-0.00000694|-0.00032616|0.00045278|-0.00202031|-0.00132925|-0.00133928|-0.00002016|0.00160012|-0.00032717|0.00020576|0.00002862|0.00051801|0.00130660|-0.00462725|0.01370368|0.03061455|-0.00200105|-0.01720244|-0.08997860|0.00168201|-0.00256821|-0.02367335|-0.27887498|0.02785679|0.03495732|0.63806547|-0.00018748|0.00016726|0.00013462|0.00044674|-0.00002930|0.00027202|0.00019484|-0.00014710|-0.00028085|0.00017114|0.00016246|-0.00033745|-0.00173461|0.00046407|-0.00015600|-0.01455216|-0.00298062|0.01701322|0.00754185|0.00068238|0.01395483|-0.00447515|0.02233267|-0.07756171|0.08273383|-0.06669178|0.17966733|-0.00004301|-0.00094495|0.00024865|-0.00343470|-0.00142301|-0.00448228|-0.00151521|0.00166126|0.00100005|0.00016794|0.00202018|0.00042652|-0.02305117|-0.01885190|0.01527945|-0.26811763|-0.10035229|-0.03009716|-0.01929355|-0.04905913|0.00983913|0.02904073|0.06549301|-0.00774743|-0.31022179|0.12812002|-0.04662647|0.71141844|-0.00026359|-0.00100997|0.00033302|0.00365448|0.00000779|0.00466848|-0.00155218|0.00250305|0.00005286|0.00090655|0.00121405|-0.00119165|0.01675130|0.01963847|-0.00706007|-0.12059395|-0.22787349|0.01899363|-0.00625920|-0.09184336|0.01740587|-0.00495375|-0.06109474|0.01042227|0.15793378|-0.22646787|0.04212916|-0.06759378|0.97128361|0.00001634|0.00009757|0.00074156|0.00259498|-0.00039308|-0.00364950|0.00218547|-0.00043026|0.00104320|0.00037506|-0.00098321|-0.00087576|-0.01548560|-0.01045013|-0.00341045|-0.00208552|0.02938506|-0.07184367|0.00076215|0.00446299|0.01510799|-0.00215530|0.01453576|0.01433334|-0.05433848|0.04467155|-0.09335317|0.08025388|-0.15037793|0.18128326|0.00008043|-0.00016332|-0.00013350|-0.00074108|0.00002547|-0.00009967|-0.00055637|0.00046105|0.00015620|0.00021360|-0.00000523|-0.00016557|0.00061033|-0.00164114|0.00106956|0.00159124|0.01566139|-0.00478812|0.00784072|-0.00643673|0.00124847|-0.01765541|-0.01490073|-0.00008697|-0.32206598|-0.08433743|-0.01826315|-0.04582319|-0.01308655|-0.00278386|1.49968430|-0.00000507|-0.00013275|0.00000151|-0.00012132|0.00004539|0.00055249|-0.00059976|0.00034453|0.00010286|0.00012963|-0.00000756|-0.00006055|0.00156424|0.00099781|0.00005941|0.00644094|0.00052283|0.00140026|0.00015285|-0.00987245|0.00190066|-0.03731383|-0.00205386|-0.00419251|-0.08147439|-0.12737293|-0.00109456|0.00947074|0.01750975|-0.00132390|0.47861534|0.29331411|-0.00001910|0.00000978|-0.00012905|-0.00059700|0.00039455|0.00029093|-0.00069280|-0.00001098|0.00001602|0.00011539|-0.00005163|-0.00009657|-0.00006435|0.00031058|0.00257387|-0.00104197|0.00092027|0.00483348|-0.00027118|0.00221318|0.00352104|0.00387133|-0.00122583|0.00022225|-0.01947758|-0.00067514|-0.06726632|-0.00597687|-0.00471347|0.00011712|0.09934405|0.03164379|0.11609845|-0.00008709|0.00015544|0.00007423|0.00059704|-0.00010324|-0.00044692|0.00076207|-0.00046410|-0.00024063|-0.00022513|0.00001366|0.00012725|-0.00099783|0.00011186|0.00001706|-0.00525416|-0.00732504|0.00143717|-0.00495097|0.00231361|-0.00087896|0.00259328|0.00770871|-0.00098341|-0.01891940|-0.00605005|-0.00299147|0.01160027|-0.00429244|0.00136215|-1.12946387|-0.37574090|-0.07639330|1.56016784|-0.00002945|0.00005681|0.00002361|0.00025679|-0.00005025|-0.00020572|0.00031772|-0.00021645|-0.00011707|-0.00012607|-0.00003081|0.00007146|-0.00046864|0.00000794|-0.00004778|-0.00258951|-0.00199181|0.00035343|-0.00107875|0.00129936|-0.00034856|0.00110341|0.00152537|0.00001379|-0.01047178|0.00938210|-0.00060775|0.00428478|-0.00240167|0.00086071|-0.37476576|-0.18109029|-0.02732103|0.51693408|0.25134341|-0.00003720|0.00000322|0.00000355|0.00011354|-0.00006183|-0.00008133|0.00015404|-0.00005761|-0.00007472|-0.00004655|0.00004093|0.00000476|-0.00005701|-0.00002187|-0.00011643|-0.00037665|-0.00059793|-0.00019958|-0.00041180|-0.00000961|-0.00034694|0.00000230|0.00090172|0.00116872|-0.00248537|-0.00031779|0.01258215|0.00071569|0.00011019|0.00118117|-0.07610444|-0.02717802|-0.05924125|0.10577544|0.03553591|0.07293041|-0.23842226|0.05940266|0.12414483|0.00284659|-0.00103061|-0.00233022|-0.00016795|-0.00021899|0.00064536|-0.00026147|0.00005279|-0.00002545|0.00094036|0.00053939|-0.00130544|0.00011533|0.00046066|0.00036744|-0.00023524|-0.00029339|0.00039168|0.00026947|0.00013682|0.00017497|-0.00001956|-0.00021412|-0.00001925|-0.00001767|-0.00005703|-0.00013132|0.00015170|0.00001940|0.00000956|-0.00014982|-0.00005489|-0.00001332|0.25450823|0.06020790|-0.07767477|-0.04241505|-0.01837341|0.00477762|0.01130689|-0.00090788|0.00182866|-0.00161047|0.00016768|-0.00001875|-0.00003560|-0.00035856|-0.00229631|0.00573709|0.00084514|-0.00030440|0.00005516|0.00020198|-0.00095073|-0.00036657|-0.00032693|0.00011246|-0.00005138|-0.00016173|0.00030784|-0.00005909|0.00055102|0.00044034|-0.00009994|-0.00000228|0.00005807|0.00000756|-0.00000207|-0.00000663|-0.00000290|-0.06700952|0.07930769|0.12382430|-0.04232121|-0.14506722|0.02985550|-0.00789253|-0.01821222|0.00036659|-0.00091850|0.00246504|0.00001571|0.00036151|-0.00031171|-0.00223494|0.00348725|-0.00672079|-0.00123114|-0.00009602|0.00079376|-0.00041713|0.00025442|0.00029936|0.00051464|0.00010348|0.00014173|0.00021240|-0.00035547|0.00012539|-0.00044255|-0.00029020|-0.00002397|-0.00007051|-0.00005738|-0.00000798|0.00010303|0.00004001|0.00001404|-0.13815338|0.04304803|0.15499965|-0.05977580|-0.01229718|-0.00265599|-0.00037040|0.00188467|0.00011954|0.00037194|-0.00062480|-0.00038909|-0.00055261|-0.00004587|-0.00009466|0.00039915|-0.00038541|-0.00074263|-0.00017283|-0.00037356|0.00030181|-0.00018305|-0.00033542|-0.00004545|-0.00026973|-0.00004444|-0.00014220|-0.00004919|0.00031832|-0.00006757|0.00050255|0.00031239|-0.00000246|-0.00005908|0.00003206|0.00001550|0.00006633|0.00002479|0.00000728|0.00276471|0.03128418|0.00400231|0.05643720|-0.01237957|-0.33957811|-0.04352776|-0.00178577|-0.01695670|-0.00291247|0.00262638|0.00068887|0.00273333|0.00026997|0.00050657|0.00003404|-0.00070265|0.00020448|-0.00005959|-0.00083754|-0.00026172|0.00063648|0.00014020|-0.00142936|-0.00038383|-0.00032037|0.00021616|-0.00006246|-0.00027665|0.00037936|-0.00002330|0.00087956|0.00067089|-0.00005179|0.00002260|0.00009396|-0.00001724|-0.00002862|-0.00000152|0.00000267|0.00017801|-0.00822870|-0.00210626|0.01230703|0.36843149|-0.00317305|-0.04571687|-0.06606496|0.00271058|0.03918009|0.00628792|-0.00300757|0.00204481|-0.00642895|-0.00069106|-0.00059181|-0.00027523|-0.00004898|-0.00140892|0.00231115|0.00022192|0.00007469|-0.00028151|0.00055080|0.00001354|-0.00027298|0.00008290|-0.00015195|-0.00001629|-0.00002612|-0.00004468|0.00003078|-0.00000489|-0.00004789|0.00006656|0.00001976|-0.00002251|0.00000211|-0.00001530|-0.00000238|0.00000045|-0.00244656|-0.02094177|-0.00312414|0.00202406|0.04650393|0.06931600|-0.26756943|-0.05292298|-0.13128198|0.00176796|0.00104876|0.00099560|-0.00002488|-0.00042676|-0.00053321|-0.00113316|-0.00063178|-0.00036447|0.00014588|0.00071313|-0.00058361|-0.00107358|0.00008464|0.00174375|-0.00095357|0.00024137|0.00141457|0.00040492|0.00014218|0.00008522|-0.00012859|-0.00033598|-0.00005500|0.00002198|0.00001170|-0.00009238|0.00003050|0.00000135|0.00001044|0.00000458|0.00000863|0.00000450|-0.02249541|-0.00684414|-0.01522730|0.00098137|-0.00032565|0.00119595|0.28780217|-0.05426571|-0.07307936|-0.03205408|0.01895553|0.00528904|0.00799369|0.00083596|0.00072899|-0.00020786|-0.00043795|-0.00111819|0.00014914|-0.00034352|0.00135366|-0.00066940|-0.00071571|0.00031276|-0.00007803|-0.00020292|0.00000995|0.00027586|0.00039665|0.00015573|0.00022104|0.00005828|-0.00026558|-0.00001689|-0.00049548|-0.00019854|-0.00009933|0.00005194|-0.00001182|0.00000626|-0.00005173|-0.00002733|-0.00000233|0.00915338|0.00213185|0.00683731|-0.03249361|-0.00581651|-0.01905131|0.06075680|0.07494921|-0.12695821|-0.03028116|-0.13831866|-0.02967975|-0.00969937|-0.01585489|-0.00141992|-0.00018940|0.00098108|-0.00016367|-0.00001070|-0.00034537|0.00003778|-0.00197932|0.00051572|0.00078793|0.00119510|0.00060678|0.00056675|-0.00078359|-0.00016350|0.00025864|0.00016562|0.00010728|0.00002917|-0.00015298|-0.00009960|0.00032938|-0.00015420|0.00000738|0.00019119|0.00001374|0.00000612|-0.00017127|-0.00005897|-0.00001345|0.01808672|0.00614790|0.01377847|-0.00398135|-0.00155534|-0.00283629|0.14089895|0.03334632|0.14551316|0.00264614|-0.00092086|-0.00010412|-0.23295661|-0.06661969|-0.13919768|0.00257340|0.00018472|0.00654074|0.00087468|0.00086217|-0.00048412|-0.02668603|-0.00572643|-0.00914223|-0.00334787|-0.00758302|0.00140368|0.00046111|-0.00086686|0.00010900|-0.00030292|0.00007833|-0.00000266|-0.00072972|-0.00015711|-0.00006634|-0.00025101|0.00196909|-0.00065081|0.00008591|0.00021346|0.00001745|-0.00024544|-0.00009730|-0.00001947|0.00019458|0.00046832|-0.00109455|0.00005407|0.00041512|0.00001080|0.00105890|-0.00011034|0.00041469|0.25648757|0.01581055|0.00696272|0.01152587|-0.07100128|-0.08621538|-0.04897961|-0.02691155|-0.00670864|-0.02324387|-0.00354146|-0.00270438|0.00499787|0.00147670|0.00027914|0.01188909|0.00301582|0.00130411|-0.00151712|-0.00011586|0.00022556|-0.00001844|-0.00011151|-0.00005315|-0.00008046|0.00009444|0.00027710|0.00008652|0.00052031|-0.00053678|-0.00003999|0.00006846|-0.00000673|0.00005603|-0.00001984|0.00000603|-0.00000442|-0.00044650|0.00030342|-0.00047160|0.00037925|0.00091590|-0.00112508|0.00006745|-0.00146019|0.00426322|0.07877905|0.08676330|-0.02541452|-0.00932496|-0.01510404|-0.14611373|-0.05071858|-0.16595558|-0.00034910|0.00268947|-0.00430416|-0.00036178|-0.00078665|0.00085459|0.02329105|0.00396978|0.01278209|0.00362210|0.00544586|-0.00027569|-0.00037946|0.00021455|-0.00011900|0.00025196|0.00007376|0.00006615|0.00053580|0.00006539|-0.00002276|0.00045056|-0.00127782|0.00056885|0.00000855|-0.00013417|-0.00003782|0.00010262|0.00004994|0.00002416|0.00076654|-0.00072179|0.00067535|0.00027551|0.00038809|0.00144247|0.00088072|0.00366810|-0.00518719|0.14201504|0.04558845|0.17329223|0.00066579|-0.00407250|-0.00253523|0.01321110|-0.00999991|0.02041745|-0.12787963|0.07652535|-0.10452632|-0.00451783|0.00791776|-0.00955818|-0.01499767|0.01289450|-0.01553957|0.00056118|0.00787762|0.00034943|-0.00151719|-0.00120731|-0.00016950|-0.00031937|0.00064155|-0.00018822|-0.00019155|0.00007044|0.00002132|0.00091687|0.00039714|-0.00002733|0.00010297|0.00006078|0.00000605|-0.00014388|-0.00006205|0.00000183|-0.00011026|0.00020608|-0.00010174|0.00004501|-0.00090542|0.00136334|0.00011926|0.00001538|0.00012815|-0.00003691|0.00252629|0.00031188|0.13407464|0.00064248|-0.00311309|-0.00289004|0.01310234|-0.01303021|0.01557608|0.07947207|-0.15208380|0.11489423|-0.01225842|0.01415808|-0.01468556|0.01331046|-0.01495111|0.00110715|-0.00230818|-0.00359021|0.00122892|0.00057446|0.00094019|0.00034546|0.00039669|-0.00021111|-0.00002102|0.00030577|-0.00024655|0.00010280|-0.00058049|-0.00018037|-0.00003398|-0.00014390|-0.00005659|-0.00001264|0.00016211|0.00007689|0.00001972|-0.00010547|0.00015295|0.00005826|0.00011046|-0.00059116|0.00120863|0.00014087|-0.00008409|0.00011514|-0.00128099|0.00154685|0.00091455|-0.09089929|0.17170595|0.00006016|0.00199343|0.00146419|-0.00603021|0.00067894|-0.00857802|-0.10976501|0.12067523|-0.20524008|-0.01338990|0.01589615|-0.01518029|0.01595017|-0.01221601|0.01617960|0.00015802|-0.00634241|0.00082515|0.00116138|0.00075970|0.00030472|0.00033983|-0.00040760|0.00006845|0.00013245|-0.00018445|0.00004864|-0.00044084|0.00001786|-0.00010623|-0.00002916|-0.00002088|0.00000706|0.00004568|0.00002738|0.00002018|0.00001759|-0.00006653|-0.00000634|0.00002337|0.00044866|-0.00066636|0.00001583|-0.00033048|0.00013878|0.00009141|-0.00109900|0.00154094|0.11203406|-0.11566446|0.21091112|-0.00064204|0.00018547|-0.00040009|-0.00003477|0.00092172|-0.00043815|-0.00804882|0.00820551|-0.00634641|-0.15850225|0.09328480|-0.10773754|0.00048900|0.00006266|-0.00009638|-0.00021662|0.00056289|0.00139003|0.00018714|-0.00027944|0.00002681|-0.00002593|0.00012551|-0.00006487|0.00009790|-0.00009569|-0.00001131|-0.00055015|0.00051314|0.00096962|-0.00009200|-0.00003115|-0.00000082|0.00007688|0.00001363|-0.00001003|-0.00008567|-0.00009404|0.00003580|0.00034389|0.00013396|0.00036238|0.00085162|-0.00080303|0.00043680|-0.00000785|-0.00014018|0.00025361|-0.00006885|-0.00188733|-0.00145413|0.16649579|0.00005125|-0.00154395|0.00034099|-0.00048357|0.00098832|0.00053786|-0.01439748|0.01622797|-0.01305295|0.09535857|-0.15045747|0.10166919|0.00131759|0.00156018|0.00053799|0.00106309|-0.00096759|-0.00069171|0.00028515|-0.00030507|0.00018614|-0.00019208|-0.00029104|0.00010327|-0.00031964|0.00038457|-0.00024115|0.00082427|-0.00045411|-0.00109265|0.00006170|0.00002861|0.00003073|-0.00004797|-0.00004261|-0.00003491|0.00009580|0.00008011|0.00005984|0.00001055|0.00006493|-0.00007306|-0.00170776|-0.00271621|0.00006336|-0.00003175|0.00009043|0.00027004|-0.00187323|-0.00224999|-0.00398325|-0.10380278|0.16186948|-0.00014009|0.00036168|-0.00040336|-0.00086378|0.00096187|0.00076328|-0.01585011|0.01815174|-0.01690630|-0.10571934|0.09778632|-0.17015411|0.00095585|0.00128090|-0.00004334|-0.00031520|-0.00134182|0.00099775|0.00012146|0.00017023|-0.00006150|0.00025750|0.00017473|-0.00011111|0.00011135|-0.00029446|0.00015750|0.00101050|0.00025675|-0.00012504|0.00021657|0.00006958|0.00004314|-0.00021502|-0.00007216|-0.00001041|0.00019195|0.00003170|-0.00000378|0.00029431|0.00000418|0.00026621|0.00071383|0.00054194|0.00103852|0.00005032|-0.00014625|0.00009817|-0.00219960|-0.00415928|-0.00325283|0.11707100|-0.10890451|0.18004120|-0.00031225|0.00065242|-0.00023250|-0.00086321|0.00097167|-0.00255895|-0.00748524|-0.01103945|0.00522625|-0.14352066|-0.11833871|0.05554332|0.00086824|-0.00011307|-0.00044980|0.00040113|-0.00008119|-0.00016149|0.00003603|0.00015994|-0.00000442|0.00005489|-0.00009674|-0.00001326|0.00009563|0.00010963|-0.00012240|-0.00055367|-0.00028509|0.00027682|-0.00003734|-0.00001704|0.00002783|0.00005673|0.00001167|-0.00000855|0.00007909|0.00009749|0.00003935|0.00013739|-0.00004062|0.00013213|0.00022423|-0.00005155|0.00024970|0.00020356|-0.00085487|-0.00012596|0.00002517|0.00037836|0.00000392|0.01484654|0.01739057|-0.00734765|0.15136072|0.00026528|0.00039398|-0.00013562|-0.00271633|0.00080372|-0.00333601|-0.01012260|-0.01638850|0.00787336|-0.11818248|-0.22476066|0.07919870|0.00044485|0.00019409|0.00095207|0.00036073|-0.00090760|-0.00059312|-0.00035142|0.00110248|-0.00013346|0.00046215|0.00029392|-0.00003755|0.00044065|-0.00010891|0.00010697|-0.00066523|-0.00109556|0.00050931|0.00007373|0.00000544|0.00004563|-0.00006410|0.00002359|-0.00000374|-0.00010414|-0.00003792|0.00003986|-0.00010585|-0.00011185|-0.00004002|-0.00015451|0.00016559|-0.00014509|0.00035570|-0.00118325|-0.00028630|0.00040335|0.00107852|-0.00042520|-0.01153057|-0.01458735|0.00701305|0.13265801|0.24071339|-0.00026402|0.00069946|-0.00040352|-0.00353056|-0.00145263|-0.00530154|-0.01844816|-0.02712458|0.01290930|0.05638923|0.08121690|-0.09738277|0.00083790|0.00162549|0.00183656|-0.00000348|-0.00009321|-0.00011428|0.00008559|-0.00018233|0.00008877|-0.00008662|0.00000728|0.00002908|0.00004972|0.00008350|-0.00003713|0.00063297|-0.00011498|-0.00036025|0.00003576|0.00000365|0.00002047|-0.00002421|-0.00002661|-0.00002073|-0.00013376|-0.00009323|0.00012090|0.00016627|0.00004067|0.00028343|0.00038058|-0.00013856|0.00028598|0.00025023|-0.00161846|-0.00023594|0.00070219|0.00094401|0.00127806|0.01394012|0.01587490|-0.00791560|-0.06138084|-0.08489328|0.10233135|-0.00030242|0.00011972|-0.00002119|0.00123122|0.00112261|0.00134011|0.01397007|-0.00782497|-0.00929072|-0.22196735|0.08374488|0.11478727|-0.00084421|-0.00312208|-0.00425691|-0.00073818|-0.00017238|0.00035188|-0.00017894|0.00052435|-0.00013711|0.00033465|0.00026284|-0.00002286|0.00031184|-0.00023366|0.00017435|-0.00034242|0.00000410|0.00058715|0.00011772|0.00002205|0.00001943|-0.00012798|-0.00002483|-0.00000691|0.00018518|-0.00006126|0.00004992|0.00004055|0.00003121|-0.00005289|-0.00001499|0.00000543|0.00013789|-0.00007045|0.00027158|0.00000171|0.00027579|0.00078263|0.00092786|-0.01512231|0.00634366|0.01168185|-0.01513540|0.00795527|0.00981474|0.23825897|-0.00000344|-0.00007696|-0.00000602|0.00167446|0.00091191|0.00111142|0.01732767|-0.00996195|-0.01063165|0.08289327|-0.09951579|-0.05727910|-0.00227884|-0.00234484|-0.00453218|-0.00071034|0.00078985|-0.00020545|-0.00008754|0.00051429|0.00005985|0.00018705|0.00004800|0.00005930|0.00029537|-0.00005242|-0.00004223|-0.00077587|-0.00067576|0.00029185|-0.00010115|-0.00005775|-0.00002565|0.00011298|0.00005514|0.00001122|-0.00034202|-0.00034877|0.00026349|-0.00014236|0.00002681|0.00018402|0.00014974|-0.00002023|-0.00015403|-0.00006479|0.00011135|0.00001977|-0.00050974|0.00054525|0.00019293|0.01485451|-0.00744677|-0.01221343|-0.02245099|0.01398303|0.01592175|-0.09011771|0.10336439|-0.00021415|-0.00035051|-0.00022853|0.00057877|0.00074981|0.00193835|0.02339949|-0.01315369|-0.01469613|0.11462303|-0.05719849|-0.13959110|-0.00386967|-0.00218981|-0.00480274|-0.00065106|0.00097909|0.00066213|-0.00009431|0.00029127|-0.00009801|0.00029183|0.00013578|0.00007315|0.00031951|-0.00036707|0.00017438|-0.00037484|0.00023847|0.00020494|-0.00009583|-0.00005410|-0.00005104|0.00011654|0.00004736|0.00002182|-0.00003371|-0.00010356|0.00025475|0.00004686|-0.00003697|0.00009332|-0.00003735|-0.00006327|0.00003666|-0.00010022|-0.00003142|-0.00000546|-0.00045902|0.00102285|0.00040124|-0.01803891|0.00806965|0.01596536|0.01032627|-0.00505975|-0.00742410|-0.12567057|0.06710248|0.14717841|-0.00102503|0.00044331|0.00077961|-0.00022408|-0.00007957|0.00018191|0.00017004|-0.00009238|0.00008951|-0.00001146|-0.00000195|0.00004356|0.00137354|-0.00060711|0.00052180|0.01434548|0.01453255|0.00003870|-0.22499769|-0.17194473|-0.00505959|-0.00433555|-0.02501307|0.00200367|-0.00566704|0.00060687|-0.00162965|-0.00219830|0.00304604|-0.00077952|-0.00004643|-0.00159928|0.00012074|-0.00039722|-0.00009368|-0.00000897|-0.00007166|0.00012021|-0.00003452|-0.00071375|0.00056940|0.00082433|-0.00002400|-0.00025288|-0.00013342|-0.00002842|0.00002527|-0.00002337|0.00002970|-0.00006071|-0.00001612|-0.00000837|-0.00000476|-0.00001800|-0.00001281|-0.00002766|-0.00001542|-0.00000470|-0.00000466|-0.00001199|0.22268600|-0.00028202|-0.00034656|-0.00001235|0.00094703|-0.00037746|-0.00007387|-0.00003910|0.00030219|0.00018293|-0.00008679|0.00004740|-0.00004758|-0.00148573|0.00127957|-0.00057511|-0.02725663|-0.02282402|-0.00048229|-0.15886218|-0.24975867|0.00372762|0.00229963|0.00988932|-0.00026175|0.00142701|0.00137895|0.00059556|0.00607813|-0.00402628|0.00130318|0.00008711|0.00073223|-0.00002091|0.00001422|-0.00004539|-0.00001221|-0.00015670|0.00034777|0.00000544|0.00017182|0.00075205|0.00001285|-0.00000905|-0.00025724|-0.00014824|0.00012157|0.00001801|-0.00010749|0.00006231|0.00011088|-0.00003092|-0.00002427|-0.00003250|0.00005895|0.00001401|0.00008470|0.00001416|0.00005182|0.00000757|0.00003626|0.17907779|0.26345038|0.00041557|-0.00031280|-0.00008197|-0.00018752|0.00022954|0.00072801|-0.00040775|-0.00005597|-0.00015757|0.00012889|-0.00002390|-0.00003223|0.00163463|-0.00172022|-0.00158169|0.00519512|0.00335658|-0.00259708|-0.00789788|0.00419020|-0.03225182|0.00001293|-0.00360811|0.00397688|-0.00149597|0.00018636|0.00558996|-0.00127226|0.00160119|0.00163626|-0.00015606|0.00002574|0.00166741|-0.00004244|-0.00006722|-0.00025063|-0.00024634|0.00020369|-0.00010610|0.00087257|-0.00000568|-0.00016047|-0.00011080|-0.00035126|-0.00024537|-0.00006446|0.00009899|-0.00008830|0.00009157|0.00006332|-0.00002917|-0.00004362|-0.00001152|0.00000866|-0.00000922|0.00000609|-0.00001062|-0.00000947|-0.00004828|-0.00003076|0.00296310|-0.00387623|0.02570413|-0.00005622|0.00006810|0.00000411|0.00038677|-0.00012154|-0.00010876|-0.00007910|-0.00001779|-0.00062225|-0.00003180|-0.00005697|-0.00002006|0.00012143|0.00186937|0.00040449|-0.00703923|-0.00089792|-0.00217241|-0.00500372|0.02844105|-0.00455196|-0.17680290|0.14770836|-0.03874437|0.01372012|-0.01078602|0.00321825|-0.00167583|-0.00403303|0.00006962|0.00121869|0.00129545|0.00019350|-0.00028798|0.00016053|-0.00004426|-0.00000966|-0.00002906|0.00003628|-0.00001713|-0.00004123|0.00000409|0.00001014|0.00001613|-0.00001922|-0.00005894|0.00000594|0.00002478|-0.00017334|0.00010033|0.00012826|0.00001466|-0.00000503|0.00001756|0.00001730|0.00004480|0.00000661|0.00002481|0.00003441|0.00002519|0.00033138|-0.00077131|0.00065530|0.17442153|0.00003619|-0.00000076|-0.00000387|-0.00000213|0.00004962|0.00001704|-0.00023757|0.00009532|-0.00001753|0.00000494|-0.00005371|-0.00001401|-0.00018990|0.00060477|0.00015552|-0.00196154|0.00132938|0.00048714|-0.00328816|0.00839249|-0.00156184|0.14871858|-0.27932090|0.05409539|0.02036816|-0.01223581|0.00427636|-0.00335443|-0.00580317|0.00096400|0.00122489|0.00144719|-0.00044872|-0.00098344|0.00001967|-0.00012596|0.00000854|-0.00000569|-0.00001658|-0.00000221|-0.00000252|0.00000792|0.00000187|-0.00001550|0.00001400|0.00001922|0.00001142|-0.00001412|-0.00002728|0.00001051|0.00001496|-0.00001475|-0.00000434|0.00003295|0.00000136|0.00006069|0.00000312|0.00003689|0.00000449|-0.00001158|0.00097532|-0.00022493|-0.00044282|-0.16264473|0.28590116|0.00011533|-0.00004331|-0.00008005|-0.00046084|0.00039547|-0.00003564|-0.00056106|0.00008104|0.00036314|-0.00002911|-0.00002077|-0.00010090|-0.00008469|-0.00004571|0.00234679|-0.00008628|0.00199886|0.00543938|0.00108499|0.00204641|0.00019510|-0.03973590|0.05372837|-0.04647790|-0.00108800|0.00001839|0.00009377|-0.00139587|0.00041799|0.00295811|0.00019066|-0.00044143|-0.00246424|0.00017365|0.00005019|-0.00000049|0.00001255|0.00000152|-0.00004826|-0.00000326|-0.00003734|0.00003260|-0.00002047|-0.00002089|0.00003005|-0.00001252|0.00000778|0.00000334|-0.00001535|-0.00005710|-0.00003501|0.00000482|-0.00000447|-0.00002034|0.00002049|-0.00000903|-0.00000422|-0.00001772|-0.00001038|-0.00000454|0.00048373|-0.00056375|-0.00418887|0.04154519|-0.05782430|0.04034170|0.00006219|0.00001044|0.00005698|0.00027075|0.00009341|-0.00009883|-0.00070049|0.00034710|0.00018925|-0.00082445|0.00006232|0.00071696|0.00244708|-0.00002390|0.00056484|0.00801236|-0.03600690|0.00674721|-0.00708285|-0.00095279|-0.00065370|-0.00460354|0.00360263|-0.00164748|0.01074515|0.02360345|-0.00355056|-0.07630453|0.03723643|-0.01087456|0.00189967|-0.00024736|0.00074056|-0.00058384|-0.00058445|0.00000907|-0.00002315|0.00002152|-0.00003650|0.00002465|0.00006442|-0.00003785|-0.00000489|-0.00002459|-0.00004294|0.00005811|0.00009554|-0.00001787|-0.00008340|0.00005723|0.00003496|0.00001423|0.00006857|-0.00004701|-0.00047769|0.00054298|0.00059866|0.00007957|0.00006823|-0.00006479|0.00083825|-0.00139862|-0.00003441|0.00095806|0.00129599|-0.00009960|0.06532275|0.00009915|-0.00002555|-0.00000005|-0.00002752|0.00018975|-0.00024626|-0.00074965|0.00009120|0.00012555|0.00080551|-0.00055790|-0.00046460|0.00110447|0.00031801|-0.00036087|0.00511581|-0.01488448|0.00255379|-0.00364727|0.00097910|-0.00005547|0.00245980|-0.00023397|0.00119317|-0.00377912|-0.00576246|0.00120298|0.02522547|-0.38888600|0.06827726|0.00001570|0.00008089|-0.00083417|0.00035489|0.00021368|0.00005536|-0.00002287|0.00002631|-0.00003069|0.00002189|0.00003537|-0.00001333|-0.00000768|-0.00003363|-0.00002077|-0.00000748|0.00005470|0.00001188|-0.00004889|0.00007258|0.00006806|-0.00015943|-0.00020067|0.00022614|0.00092714|0.00028518|-0.00070436|0.00027406|0.00014513|-0.00004797|0.00030820|-0.00048151|0.00056049|-0.00026421|-0.00019236|0.00031781|-0.02799901|0.40875854|0.00009425|-0.00005299|-0.00002324|-0.00028208|0.00020401|-0.00014332|-0.00005950|0.00003450|0.00071313|0.00044422|0.00006129|-0.00008611|0.00204172|-0.00004679|-0.00207806|0.00053204|-0.00062793|-0.00181439|-0.00073467|-0.00033485|0.00231547|-0.00103734|0.00150413|0.00406760|0.00237888|0.00333824|0.00399982|-0.01132359|0.06841077|-0.04568691|0.00055182|-0.00075887|-0.00415945|-0.00002498|-0.00005689|0.00016678|0.00002616|0.00002843|-0.00003252|-0.00002174|-0.00001200|-0.00000512|-0.00002928|0.00004489|0.00001504|0.00003475|-0.00013509|-0.00000906|-0.00010329|-0.00007381|-0.00008688|0.00014917|0.00033552|-0.00037207|0.00056660|-0.00064512|0.00002115|-0.00039059|-0.00006854|-0.00007012|-0.00031323|0.00027266|0.00258001|-0.00004695|0.00038155|0.00153471|0.00757989|-0.07183728|0.03900509|0.00000369|-0.00001582|-0.00000719|-0.00005769|0.00001218|0.00003924|-0.00007363|0.00003593|0.00001787|0.00000678|-0.00000508|-0.00000647|0.00008466|0.00000786|0.00001028|0.00040006|0.00034971|-0.00007133|0.00018654|-0.00022675|0.00008191|-0.00047113|-0.00018071|-0.00003875|0.00155209|-0.00200358|-0.00014976|-0.00027496|0.00023446|-0.00004608|0.00291297|-0.00086819|0.00004315|-0.41409038|-0.13266886|-0.02715316|0.00001452|-0.00000063|-0.00001156|-0.00000524|0.00000622|0.00000123|-0.00000103|0.00000354|0.00001599|0.00002414|0.00000638|-0.00000663|0.00001240|-0.00001149|0.00000041|-0.00001202|-0.00000469|0.00002174|-0.00000840|0.00001744|-0.00000349|0.00001897|-0.00000825|-0.00001109|-0.00000790|0.00001994|0.00000852|0.00001098|0.00001419|-0.00002075|-0.00004398|0.00000101|-0.00003226|0.40981857|0.00000314|0.00000023|-0.00000531|-0.00003896|0.00000915|-0.00000704|-0.00001629|0.00001621|0.00001609|0.00001687|0.00001247|-0.00001466|-0.00001307|-0.00008095|0.00001136|-0.00005208|0.00028442|-0.00014096|0.00008317|0.00028047|-0.00005129|0.00102011|-0.00017421|0.00018366|-0.00183840|0.00618509|-0.00037541|-0.00103219|-0.00072027|0.00001696|-0.00078514|0.00548192|-0.00028093|-0.13270802|-0.07810523|-0.00824980|0.00000878|-0.00000243|-0.00000245|-0.00000672|-0.00000869|0.00000110|-0.00000220|0.00000765|0.00000877|-0.00000013|-0.00000154|0.00000227|0.00000708|-0.00001036|-0.00000210|-0.00000115|0.00000505|0.00000921|-0.00000296|-0.00000675|0.00000736|0.00000378|-0.00000599|-0.00000483|0.00007746|-0.00002644|0.00000184|-0.00007561|-0.00006701|0.00001466|0.00006739|0.00000812|0.00003418|0.13528517|0.06691911|0.00001431|0.00000179|0.00000995|0.00000870|-0.00001271|-0.00000154|0.00001429|0.00001246|0.00002198|0.00000326|-0.00001213|0.00000515|0.00001986|-0.00002753|-0.00017140|0.00007223|0.00010014|-0.00021104|0.00009251|-0.00014819|-0.00009197|-0.00025328|-0.00001917|0.00004017|-0.00008423|-0.00037377|0.00527061|-0.00000171|0.00016970|0.00018522|-0.00025577|-0.00043480|0.00403424|-0.02690691|-0.00814165|-0.02776222|0.00000340|-0.00000010|-0.00000338|-0.00000298|-0.00000001|-0.00000071|-0.00000410|-0.00000083|0.00000330|0.00000107|-0.00000298|-0.00000334|-0.00000393|-0.00000325|-0.00000693|0.00000208|0.00001072|-0.00000001|0.00000236|-0.00000173|0.00000567|0.00000277|-0.00000115|-0.00000198|-0.00000686|0.00000311|-0.00007866|-0.00000299|0.00003141|0.00012175|-0.00003230|0.00002335|0.00014845|0.02731818|0.00882733|0.01848670| 160.10005 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 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 49.6203 96.8599 123.1001 179.6936 206.0616 211.4207 217.4134 281.8186 316.1785 324.4917 470.8376 507.5733 534.2927 586.5733 616.3979 649.3916 671.2905 725.0088 726.0906 745.5100 807.1745 818.2982 849.9072 858.6763 924.7651 969.1996 981.3807 1061.3371 1070.9476 1093.6280 1130.9791 1148.6973 1188.6780 1216.6876 1246.0052 1291.5380 1299.4232 1327.1687 1366.3868 1405.4270 1476.2802 1505.9451 1527.5596 1530.2720 1572.0436 1578.4378 1602.4115 1631.5166 1638.9470 1649.8418 1661.6852 1689.6897 1731.8661 2407.4792 3216.8217 3220.2986 3270.3596 3272.4517 3313.0966 3327.4454 3328.3884 3343.0967 3438.2964 3475.2290 3478.8062 3665.0497 3.6788 3.7315 4.0334 3.9915 2.8523 1.5821 1.0766 1.7762 3.3413 3.1290 4.1430 2.8233 4.3847 4.3390 4.5064 3.5553 3.3106 2.9838 3.0646 1.5372 1.2852 1.3322 3.5385 3.0449 1.4942 1.7427 2.0628 4.8140 1.3337 2.3207 1.4204 1.8012 1.2221 1.7018 1.9689 1.5667 1.9934 1.3886 1.4936 1.8832 4.1666 3.1548 1.8675 2.8310 1.2547 1.4060 1.9924 1.0435 1.0478 1.1050 1.1858 3.7564 4.7086 5.9124 1.0411 1.0427 1.1017 1.1018 1.0943 1.0939 1.0945 1.0957 1.0941 1.1008 1.1002 1.1661 0.0053 0.0206 0.0360 0.0759 0.0714 0.0417 0.0300 0.0831 0.1968 0.1941 0.5411 0.4286 0.7375 0.8796 1.0088 0.8834 0.8790 0.9241 0.9519 0.5034 0.4933 0.5256 1.5060 1.3228 0.7529 0.9645 1.1705 3.1950 0.9013 1.6353 1.0705 1.4003 1.0174 1.4843 1.8010 1.5398 1.9831 1.4411 1.6429 2.1916 5.3502 4.2154 2.5674 3.9060 1.8269 2.0639 3.0142 1.6365 1.6582 1.7722 1.9291 6.3189 8.3208 20.1902 6.3476 6.3707 6.9424 6.9520 7.0773 7.1361 7.1440 7.2148 7.6205 7.8331 7.8450 9.2285 0.3439 0.5483 0.5052 0.8044 0.5744 0.3065 0.0445 1.2967 1.0555 1.0987 0.7602 0.3222 4.9266 5.1931 3.4978 22.0513 3.3404 1.6651 1.8978 73.7367 23.9654 44.0560 1.6785 10.4843 33.9269 10.0887 5.1409 6.9063 4.5985 50.5134 0.9770 2.0062 16.0111 69.8443 1.0337 7.4648 4.3251 0.1811 8.3384 2.1690 14.8146 11.9931 2.7912 0.6857 6.9940 1.6132 11.4948 3.6909 2.6592 14.2316 2.6559 30.4005 13.4375 39.7356 27.0643 25.6482 15.2539 46.5038 0.0963 6.9746 30.9777 66.3974 2.9845 1.9753 0.2185 89.0454 2.4286 4.9980 5.1216 2.1137 3.4660 0.7319 0.1393 0.5087 3.1218 0.9106 4.9192 2.4989 13.8439 5.7390 2.2748 2.8110 1.0953 6.4929 6.7380 15.3913 3.2853 2.4671 9.2094 12.0036 6.1796 4.6942 6.7554 13.9164 5.4518 4.7026 5.3813 4.6514 0.7654 5.4254 1.2860 5.0399 5.2205 0.6196 2.3332 14.7603 25.0512 16.5559 34.5380 30.3230 8.5814 4.8412 13.6152 7.6300 24.3323 12.3886 5.0996 20.3538 57.4665 542.5050 5.9525 251.4528 33.6252 132.6877 62.2193 206.1724 14.4331 43.0521 74.8226 39.6003 67.2708 18.8186 0.7434 0.6644 0.7492 0.6071 0.7384 0.6574 0.6622 0.5553 0.6915 0.1187 0.3076 0.6850 0.7434 0.7371 0.4018 0.7257 0.4371 0.4514 0.4846 0.7442 0.7391 0.7500 0.7461 0.1497 0.6306 0.1770 0.2483 0.2513 0.7477 0.1802 0.7463 0.7485 0.4505 0.4088 0.5971 0.6585 0.3998 0.7307 0.6738 0.5670 0.4508 0.5281 0.2397 0.1615 0.4954 0.7239 0.1665 0.7497 0.7461 0.7318 0.7422 0.6766 0.3560 0.3182 0.6743 0.0939 0.7500 0.7449 0.7484 0.3032 0.7445 0.0414 0.4647 0.1936 0.2174 0.1993 0.8528 0.7984 0.8566 0.7555 0.8495 0.7933 0.7968 0.7141 0.8177 0.2123 0.4705 0.8130 0.8528 0.8487 0.5732 0.8410 0.6083 0.6221 0.6528 0.8534 0.8500 0.8571 0.8546 0.2605 0.7734 0.3007 0.3978 0.4017 0.8556 0.3054 0.8547 0.8562 0.6212 0.5804 0.7478 0.7941 0.5712 0.8444 0.8051 0.7237 0.6215 0.6912 0.3867 0.2781 0.6626 0.8398 0.2854 0.8570 0.8546 0.8451 0.8520 0.8071 0.5251 0.4828 0.8055 0.1717 0.8571 0.8538 0.8561 0.4654 0.8535 0.0794 0.6346 0.3244 0.3571 0.3323

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 6 6 6 6 7 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 14.00307 14.00307 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

864.91896 3150.27440 3601.50444 0.99996 -0.00030 -0.00900 0.00023 0.99996 -0.00868 0.00900 0.00868 0.99992 1 0.10014 0.02749 0.02405 2.08660 0.57288 0.50111 71.39 139.36 177.11 258.54 296.48 304.19 312.81 405.47 454.91 466.87 677.43 730.28 768.73 843.95 886.86 934.33 965.84 1043.13 1044.68 1072.62 1161.34 1177.35 1222.83 1235.44 1330.53 1394.46 1411.99 1527.03 1540.85 1573.49 1627.23 1652.72 1710.24 1750.54 1792.72 1858.24 1869.58 1909.50 1965.93 2022.10 2124.04 2166.72 2197.82 2201.72 2261.82 2271.02 2305.51 2347.39 2358.08 2373.75 2390.79 2431.09 2491.77 3463.83 4628.29 4633.29 4705.32 4708.33 4766.81 4787.45 4788.81 4809.97 4946.94 5000.08 5005.23 5273.19 0.213804 0.224578 0.225522 0.177138 -494.183861 -494.173087 -494.172143 -494.220527 1.622807D-04 MUNgauss RevisionA2.1 retrievium 02-Nov-2022 GDB_13 Smiles: CC1C(C)N1N1C=CC(=C1)C#C RHF 6-31G(d) (6D,10F) C1 160.100048 |X|Y|Z| 21.133892 13.565285 40.882947

22.715216 8 6 7 6 2

|36.858105| |12.592623|36.858105| |7.274753|12.933477|36.858105| |6.140184|7.273574|12.591934|36.858105| |7.229094|12.992136|12.990436|7.224030|53.358707| |6.420851|7.779955|7.773612|6.407268|18.553534|53.358707| |5.974598|6.078579|5.259967|4.602895|10.629615|18.990964|36.858105| |4.380267|4.345131|4.121668|3.933611|7.328687|11.749855|14.045844|36.858105| |3.947609|4.126321|4.341769|4.373536|7.325525|11.755959|8.511263|13.349298|36.858105| |4.632863|5.283169|6.097725|5.993741|10.665113|19.153120|8.584729|8.493035|13.938415|36.858105| |3.092743|3.187147|3.414457|3.581501|5.325424|7.218255|5.248747|7.440312|13.309419|7.640611|36.858105| |2.610957|2.671863|2.867079|3.042943|4.313722|5.441350|3.967110|5.202586|7.270222|5.291557|16.022225|36.858105| |17.545897|8.958785|6.245156|5.679761|7.477367|6.548265|4.463464|3.532232|3.283842|3.791734|2.687758|2.324943|0.500000| |17.568088|8.860800|5.462700|4.612169|8.302271|7.787285|6.093128|4.409284|3.741491|4.156376|2.948271|2.501308|0.302382|0.500000| |17.643283|8.736775|6.705455|6.669297|9.074258|9.538668|6.575811|4.993742|4.529683|5.237522|3.500721|2.917421|0.301490|0.302195|0.500000| |8.775455|17.689989|8.722891|5.428847|12.359974|7.926290|4.982630|3.703746|3.479791|4.260870|2.777407|2.374453|0.208950|0.213978|0.171775|0.500000| |5.428472|8.723588|17.690439|8.777547|12.363244|7.921863|4.249724|3.477475|3.698433|4.987207|3.035453|2.610995|0.139568|0.122504|0.136587|0.215940|0.500000| |6.676286|6.704733|8.733552|17.644016|9.057859|9.500148|5.187423|4.502530|4.983814|6.599704|4.000376|3.340359|0.164389|0.138536|0.235052|0.136603|0.171755|0.500000| |4.613577|5.462425|8.858811|17.568474|8.300416|7.775483|4.135163|3.728755|4.399105|6.103593|3.752947|3.231080|0.119281|0.103391|0.138550|0.122490|0.213864|0.302166|0.500000| |5.671720|6.242601|8.962094|17.545816|7.474563|6.537588|3.770307|3.273262|3.527799|4.474352|3.005997|2.629949|0.162765|0.119155|0.163805|0.139604|0.209244|0.301562|0.302426|0.500000| |6.564720|6.304601|4.871094|4.115645|9.550190|12.226495|17.838338|8.628175|5.788350|5.910742|4.092397|3.278221|0.133560|0.211575|0.183985|0.151266|0.111586|0.125616|0.100588|0.097696|0.500000| |3.764516|3.613653|3.377431|3.261394|5.723652|7.994881|8.774864|17.800411|8.523094|5.811422|6.476475|4.956548|0.086919|0.108838|0.117430|0.088503|0.081233|0.102707|0.086281|0.078007|0.196518|0.500000| |4.134870|4.878615|6.310216|6.602226|9.535575|12.243479|5.900994|5.784043|8.616178|17.842610|6.531975|4.975731|0.098144|0.100912|0.126627|0.111544|0.150907|0.185470|0.212789|0.134118|0.126748|0.122911|0.500000| |2.289955|2.333699|2.499419|2.660806|3.683930|4.460603|3.256724|4.073647|5.181245|4.125284|8.483926|18.032075|0.057552|0.061174|0.070340|0.058390|0.064215|0.080088|0.078768|0.065242|0.077275|0.111354|0.111569|0.500000| 493.934705 -2483.951448 899.229025 -69.459226 -1160.246944 665.849278 -494.397666 2.000937 4047FFFFFFFFFFFB 41A1FCA564000000 413AC56D3B88EE24 40AFA40000000000 C013FFFFFFFFFFFF 413BC0FFFFFFFFFF