Version2.6 2023-02-08T04:40:23Z 10.1021/ja902302h Gaussian16 RevisionB.01 DOC1ROB 07-Jan-2023 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) GDB_13 Smiles: CC1CN(C)C2C1C1=C2C=NN1 RHF 6-31G(d) (6D,7F) CC1CN(C)C2C1C1=C2C=NN1 C1[X(C9H13N3)] 69 C1 206 CC1CN(C)C2C1C1=C2C=NN1 CC1CN(C2C1c1[nH]ncc21)C CC1CN(C)C2C1c3[nH]ncc23 InChIKey=UDOMADDSIVZJPW-UHFFFAOYSA-N InChI=1S/C9H13N3/c1-5-4-12(2)9-6-3-10-11-8(6)7(5)9/h3,5,7,9H,4H2,1-2H3,(H,10,11) InChI=1/C9H13N3/c1-5-4-12(2)9-6-3-10-11-8(6)7(5)9/h3,5,7,9H,4H2,1-2H3,(H,10,11)/f/h11H CC1CN(C)C2C1C1=C2C=NN1 C01[X(C9H13N3)] 69 C1 206 CC1CN(C)C2C1C1=C2C=NN1 C[C@H]1CN([C@@H]2[C@H]1[C@H]1NNC[C@@H]21)C C[C@H]1CN(C)[C@H]2[C@@H]3CNN[C@@H]3[C@@H]12 InChIKey=CFTFHNZDIIJWEZ-ABRLLLAPSA-N InChI=1S/C9H17N3/c1-5-4-12(2)9-6-3-10-11-8(6)7(5)9/h5-11H,3-4H2,1-2H3/t5-,6+,7+,8-,9-/m0/s1 InChI=1/C9H17N3/c1-5-4-12(2)9-6-3-10-11-8(6)7(5)9/h5-11H,3-4H2,1-2H3/t5-,6+,7+,8-,9-/m0/s1 5.111994591615D+02 -2.650398103318D+03 728.1813196233 -511.6101223 1-A 1915.5249 44 162 206 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -15.63096 -15.57631 -15.54383 -11.26875 -11.25252 -11.25110 -11.24720 -11.24622 -11.24097 -11.23368 -11.21076 -11.19607 -1.37218 -1.25277 -1.13196 -1.09189 -1.06238 -0.95854 -0.93772 -0.90379 -0.81880 -0.81689 -0.78531 -0.74505 -0.70110 -0.67278 -0.63136 -0.61136 -0.60269 -0.59794 -0.58440 -0.57349 -0.55389 -0.53210 -0.51973 -0.50292 -0.49297 -0.47148 -0.46703 -0.45588 -0.42133 -0.35654 -0.34696 -0.32054 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.18327 0.22555 0.22710 0.24352 0.26354 0.27667 0.29299 0.29554 0.30120 0.31058 0.32106 0.32317 0.32846 0.33666 0.34473 0.35319 0.37103 0.37743 0.39145 0.40531 0.42348 0.43288 0.47253 0.48276 0.54771 0.55831 0.57645 0.60408 0.67336 0.71522 0.72658 0.73713 0.75988 0.77659 0.78020 0.79711 0.82148 0.84197 0.85691 0.87350 0.87712 0.89342 0.91054 0.91969 0.94178 0.96043 0.97365 0.98588 0.99913 1.01431 1.02532 1.04887 1.05803 1.07790 1.08932 1.09659 1.10999 1.11787 1.12886 1.13393 1.13994 1.14373 1.15840 1.17394 1.17767 1.18566 1.19550 1.19781 1.21134 1.22141 1.22668 1.24453 1.25693 1.27286 1.27827 1.32428 1.34555 1.37982 1.44221 1.48346 1.50698 1.56688 1.59469 1.63471 1.64576 1.68714 1.72638 1.74162 1.74727 1.77115 1.82642 1.84173 1.85948 1.87335 1.92261 1.96581 1.98672 2.03068 2.09077 2.11993 2.13856 2.16227 2.17925 2.21571 2.22927 2.26842 2.30079 2.32580 2.32752 2.35191 2.36621 2.39476 2.41985 2.44536 2.45693 2.48321 2.48938 2.50979 2.54152 2.56471 2.59198 2.60279 2.61430 2.63657 2.63904 2.66381 2.70932 2.71934 2.73906 2.75786 2.80866 2.86653 2.87489 2.88759 2.91787 2.93753 2.95525 2.98555 3.01697 3.04105 3.07815 3.13802 3.14862 3.24476 3.25615 3.29924 3.33873 3.43955 3.49272 3.67829 4.25008 4.49730 4.52361 4.58843 4.68331 4.71812 4.72892 4.83834 4.94313 4.98352 5.13200 5.41940 13.70926 -2.3347 1.4609 1.6123 3.1913 |XX|YY|ZZ|XY|XZ|YZ| -77.2254 -65.0404 -73.2818 4.8924 2.0278 1.6674 |XX|YY|ZZ|XY|XZ|YZ| -5.3762 6.8088 -1.4326 4.8924 2.0278 1.6674 |XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| -35.6414 -3.0915 3.1715 13.3197 17.7412 4.7930 -3.6944 1.0926 -2.1440 3.3541 |XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY| -1666.9093 -767.0099 -257.0790 73.9479 45.3955 13.6412 16.6463 2.5783 4.0466 -336.5128 -308.0210 -174.5181 10.5953 -2.4319 1.7188 0 |0.63922941|-0.01708278|0.64240851|-0.03149788|-0.03781968|0.57674904|-0.11344927|-0.01616544|-0.04578673|0.51787784|-0.01568853|-0.11265000|-0.03443523|-0.03132277|0.65650918|-0.04308836|-0.03572256|-0.19177505|0.05261874|-0.05188001|0.59082109|-0.01573825|-0.01198151|-0.00049656|-0.15637344|-0.04796903|0.00655516|0.64717227|-0.01181194|-0.00846405|-0.00191872|-0.06228991|-0.13002195|0.01255979|-0.02537615|0.52836848|-0.02777265|-0.02136256|0.00988555|0.01219929|0.00776297|-0.09766149|-0.04361757|0.04063287|0.67695871|0.00059393|0.00009407|-0.00016611|0.00784290|-0.02268636|0.00948461|-0.14466728|0.05231567|-0.00690072|0.57297446|0.00023644|0.00056964|-0.00023420|0.00545766|-0.03944693|0.01389371|0.06838745|-0.20449754|0.05152908|0.02774592|0.66089297|-0.00118934|0.00008115|-0.00112631|0.00064776|0.00662258|-0.00282233|0.00895889|0.01137051|-0.08905203|-0.14931850|-0.04032231|0.33196348|0.00024322|-0.00018662|-0.00022087|-0.00250807|0.00540623|-0.00100799|0.01665760|0.01139592|-0.00591885|-0.17676075|-0.08548703|0.03646790|0.63583847|-0.00008467|-0.00018907|0.00042624|0.00361773|-0.00525972|0.00093449|-0.02508191|-0.03482491|-0.00032603|-0.06591931|-0.22095327|0.01904971|-0.05846547|0.62433456|0.00003030|0.00011911|0.00022700|0.00075865|-0.00011261|-0.00074041|-0.00020829|0.01112842|-0.00350006|0.00424888|-0.01928245|-0.08029757|-0.02701899|-0.00197577|0.64078890|-0.00219442|0.00056799|0.00061453|0.00482702|0.01294676|0.00005294|-0.02648950|0.02732944|0.02172237|-0.16138036|0.01092906|0.05286594|-0.02125534|-0.00770903|0.02010444|0.60059370|0.00046937|-0.00084166|-0.00040323|0.00616173|-0.02910622|-0.00407472|0.02469051|-0.00838035|-0.02599185|0.00959331|-0.11968903|-0.00777143|-0.02609854|0.00700062|0.02644915|0.06459023|0.54233221|0.00256695|-0.00165297|-0.00068292|-0.00742203|-0.01622666|0.00400017|-0.00078704|-0.00966146|-0.00120178|0.11070433|-0.01514897|-0.16028059|-0.00041591|0.00398806|-0.00925808|0.01748907|0.12022791|0.57409637|0.01354262|-0.00691004|-0.00262625|-0.12662781|0.03261458|0.02749162|-0.03478357|0.00739580|0.02479772|-0.01355104|-0.01859800|0.01156239|-0.00222184|0.00200915|0.00468515|-0.06290433|-0.02632654|0.01213667|0.50125662|0.00752896|-0.00839527|-0.00939019|0.03920054|-0.11970047|-0.02998872|-0.00600806|0.01098488|0.00534110|-0.01146553|-0.00734859|0.00600117|0.00146261|0.00060468|0.00108321|-0.02044805|-0.14533721|0.01331690|-0.08133110|0.49109446|0.02315400|-0.01638476|-0.01702292|0.03144078|-0.03179560|-0.12447864|0.01580056|0.00305855|-0.00409764|0.01220599|0.02415985|-0.00922206|0.00209524|-0.00271386|-0.00448989|0.00597946|-0.00396444|-0.09942884|-0.00521665|-0.08480570|0.66523418|0.00019307|0.00035072|-0.00079403|-0.01413872|0.00225937|-0.00323430|-0.00156055|0.00229050|0.00149736|0.00031684|-0.00143378|-0.00118161|-0.00055208|-0.00081979|0.00036823|-0.07304319|-0.03941889|-0.01579904|-0.17241528|0.03373656|-0.04383850|0.81508184|0.00033902|0.00164970|-0.00042499|0.01762844|-0.00531164|0.00658259|0.00042077|0.00012979|-0.00035204|0.00411354|-0.00217350|0.00036279|-0.00046769|-0.00062134|0.00076847|-0.03770651|-0.01834784|-0.00556088|0.08178563|-0.07459420|0.03041590|0.02216620|0.78799872|0.00121196|-0.00063084|0.00095547|0.01327546|0.00418853|0.01181338|0.00112090|-0.00266251|-0.00151743|0.00024767|0.00205531|-0.00038453|-0.00014890|-0.00015508|-0.00027051|-0.01568538|-0.00439688|0.00809343|-0.05385983|0.01458331|-0.09932179|0.17368213|-0.16197481|0.27971414|0.00009205|-0.00032534|0.00007074|-0.00086009|0.00151248|-0.00092963|-0.00240578|-0.00216065|0.00045915|-0.02789921|0.00592660|0.00461059|-0.00103226|0.00238809|-0.00097724|-0.18534363|0.03710594|-0.05951499|-0.02601140|0.03336359|-0.02331698|-0.11996244|-0.12181915|0.02966404|0.75444107|0.00014060|-0.00024876|0.00065213|0.00017104|0.00018124|0.00153321|0.00061878|-0.00193329|-0.00067309|0.00106025|0.00372273|-0.00401792|-0.00025258|-0.00133960|0.00013724|-0.02073412|-0.06267925|-0.00850758|0.02490509|-0.04744145|0.03037087|-0.05737849|-0.47196026|0.08551789|0.05120698|0.74356924|0.00003976|0.00012168|-0.00101523|-0.00061623|-0.00056617|-0.00292064|0.00239083|0.00214849|-0.00083391|0.02373145|-0.00999728|0.01462923|0.00046792|-0.00102759|0.00016437|-0.04383759|0.00912736|-0.08957094|-0.02417574|0.02947882|0.00330469|0.01353143|0.06642114|-0.11628559|0.15402036|-0.14064911|0.25243321|0.00004153|0.00005607|-0.00013015|-0.00142333|-0.00004759|0.00041530|-0.00022328|0.00117754|-0.00024144|0.00266949|0.00085096|0.00063347|-0.00015298|-0.00139947|0.00023001|0.00019592|0.00513919|0.00237695|0.00123510|0.00599575|-0.00517238|0.04466553|0.08774447|-0.01741664|-0.24250012|0.04366562|-0.05858807|0.63001926|-0.00047049|-0.00037478|0.00008038|0.00032167|-0.00024266|-0.00000513|-0.00028356|-0.00048756|0.00067646|-0.00159426|0.00083574|0.00170836|0.00044065|0.00134110|-0.00024889|0.00444866|0.00119878|-0.00361336|0.00156874|-0.00337101|0.00322368|0.00934557|-0.03976485|0.01873024|0.07015964|-0.16293958|0.04318721|0.02742847|0.95556991|0.00004578|0.00002805|-0.00007875|-0.00032151|0.00251712|-0.00101654|0.00094004|0.00045071|-0.00090600|0.00395326|-0.00146295|0.00035216|0.00013252|-0.00079151|0.00036292|0.00088181|-0.00122049|-0.01170757|-0.00385320|0.00413390|0.00616633|0.00512272|0.04217676|0.01042297|-0.06655596|0.03463037|-0.09715956|0.12053617|-0.20437678|0.25709290|-0.00083419|-0.00038297|-0.00019312|0.00061684|-0.00118326|-0.00129959|-0.00011163|-0.00033710|0.00096809|-0.00221292|-0.00042179|0.00147174|0.00049419|0.00177784|-0.00018046|0.00690524|0.00370077|-0.00288498|0.00197757|-0.00345481|-0.00014185|-0.10223233|0.00092222|-0.03265422|-0.09069101|0.03524082|-0.04122871|-0.31426966|-0.16598504|-0.01938379|0.61852614|0.00068966|0.00064571|0.00013195|0.00071239|0.00034849|0.00083100|-0.00044194|-0.00207645|-0.00001671|-0.00408897|0.00168324|-0.00030014|-0.00027823|0.00101203|-0.00030813|0.00237872|-0.00759747|0.00412254|-0.00509951|-0.00767885|0.00383741|0.04214149|-0.04608781|0.02792529|-0.06569142|0.04482614|-0.02558619|-0.18596021|-0.28166479|0.00138259|0.12067140|0.57062112|-0.00054596|-0.00048122|-0.00024464|-0.00161516|-0.00166932|-0.00132466|-0.00059982|0.00066923|0.00086332|-0.00152495|0.00056670|0.00001075|0.00005140|0.00034094|-0.00016871|-0.00032705|0.00523247|0.00803655|-0.00004547|0.00357468|0.00637191|-0.04370456|0.01517284|-0.00236684|-0.01348074|0.00489716|0.01649071|-0.01318557|0.00687295|-0.09125219|0.10553578|-0.08785052|0.17783570|0.00047544|0.00051762|-0.00017845|0.00042976|0.00005978|0.00106385|-0.00022249|-0.00288574|0.00003166|-0.00469083|0.00337351|0.00024966|0.00013875|0.00097426|-0.00001157|-0.00028045|-0.01495895|-0.00131261|-0.00356926|-0.01176773|0.00593952|-0.36823688|-0.03988262|-0.07437185|-0.04633687|-0.09140679|0.00475622|-0.03869477|-0.02017549|-0.00784726|-0.14162389|0.10455366|-0.04928635|0.85183753|-0.00044899|-0.00074166|0.00017095|0.00151714|0.00147711|0.00067425|0.00052835|-0.00099825|-0.00056932|-0.00052119|0.00071342|-0.00033888|0.00019061|-0.00055933|0.00022137|-0.00076867|-0.00196706|0.00287450|-0.00251167|0.01015597|-0.00843675|-0.01367226|-0.12972012|0.01847279|-0.01340038|-0.05289953|0.01719667|-0.05074872|-0.12186705|0.02133032|0.02441079|-0.23325477|0.05197667|0.28902873|0.89408830|-0.00006129|0.00004654|0.00003005|0.00179987|0.00003415|0.00050522|0.00024429|-0.00114628|-0.00031953|-0.00290720|-0.00116554|0.00021931|-0.00029320|0.00080050|0.00027307|-0.00147493|0.00013075|0.00576897|0.00137959|-0.00980322|-0.00613191|-0.08302356|0.01054236|-0.07970963|-0.01563281|-0.00574891|0.01779034|0.00147768|0.03003022|0.00194723|-0.02775973|0.07329186|-0.09699857|0.13611880|-0.13647729|0.16027922|-0.19156148|0.11022739|0.09070207|0.01090973|-0.01026076|-0.00853040|0.00096320|0.00007228|0.00020273|0.00026264|-0.00011067|0.00012032|-0.00006960|-0.00006738|0.00003816|0.00006705|-0.00004860|-0.00016992|-0.00151696|-0.00095409|-0.00303585|-0.00008564|0.00004017|0.00006705|0.00003816|-0.00011803|0.00035555|0.00000040|-0.00002176|-0.00006289|0.00004255|0.00008512|0.00006400|0.00034308|0.00013187|0.00033428|0.20502107|0.10879880|-0.15084819|-0.07373616|0.00922553|-0.00754267|-0.00449209|0.00166578|-0.00015299|-0.00042198|-0.00084707|-0.00038536|0.00016826|0.00008502|0.00018190|-0.00023181|0.00036899|0.00026136|0.00016234|-0.00144605|0.00087072|-0.00215010|-0.00019392|-0.00002062|-0.00018423|0.00006945|0.00012017|-0.00017044|-0.00011766|0.00020509|-0.00005520|0.00030918|-0.00024988|0.00019512|-0.00026874|0.00011508|-0.00005681|-0.12083270|0.15712478|0.08802990|-0.07317549|-0.11930251|0.02438121|-0.01940419|-0.01493704|0.00147653|0.00071459|0.00042572|-0.00025172|0.00037073|0.00043730|-0.00003545|0.00007329|0.00005014|0.00059778|0.00002346|-0.00123264|-0.00460762|-0.00144840|-0.00464272|-0.00049236|0.00114495|0.00004260|-0.00006056|-0.00042232|0.00044916|-0.00011481|0.00005788|-0.00006575|0.00036643|-0.00006553|0.00011234|0.00006527|-0.00008214|0.00018634|-0.09749848|0.08403808|0.12714945|-0.23969022|-0.12840515|0.04216295|-0.01040231|-0.00743668|0.00458304|-0.00055945|0.00057203|-0.00326248|0.00030481|-0.00021130|-0.00004436|0.00021770|-0.00001176|-0.00004744|-0.00032861|0.00001506|0.00036868|0.00008628|0.00106294|-0.00000725|0.00049432|-0.00016210|-0.00008200|0.00014783|-0.00008001|0.00006125|-0.00012642|0.00017058|-0.00006173|0.00029646|-0.00009106|0.00021356|-0.00011466|0.00031014|0.00011323|-0.02007982|-0.01473541|0.00476923|0.25881495|-0.12749150|-0.15036258|0.03014112|-0.00933165|-0.00787909|0.00375727|-0.00064853|0.00067629|-0.00317709|-0.00003186|-0.00008621|-0.00052112|0.00015558|0.00013071|-0.00013186|-0.00065459|0.00027800|0.00062675|-0.00102004|0.00050619|0.00018107|-0.00008185|-0.00085291|-0.00030233|0.00021498|0.00003953|0.00011394|-0.00015200|0.00018571|-0.00016592|0.00033291|-0.00001795|0.00027707|0.00055588|0.00030713|0.00041856|0.01778523|0.01496545|-0.00329992|0.14351608|0.15711210|0.04389846|0.03132876|-0.06984180|-0.02773171|-0.02092696|0.00848765|-0.00188606|-0.00105415|-0.00716906|0.00001444|-0.00001085|0.00051622|0.00019011|-0.00020298|-0.00004740|-0.00019354|0.00019337|0.00020035|-0.00044449|0.00065327|0.00166406|0.00078766|-0.00021420|0.00016136|-0.00005536|0.00006582|0.00001239|0.00007257|-0.00001148|0.00003280|-0.00008265|0.00011852|-0.00008114|0.00015848|-0.00042796|-0.00019258|0.01323984|0.01095059|-0.00353344|-0.04686569|-0.03176646|0.07140209|-0.08136168|0.05847936|-0.04688843|-0.00416849|0.01155824|-0.00911672|0.00014920|0.00101249|-0.00040589|0.00009441|0.00007129|0.00059151|-0.00014255|-0.00029163|0.00011020|0.00080598|-0.00012002|-0.00051214|-0.00004756|-0.00012687|0.00072548|0.00012887|0.00019631|0.00076172|-0.00012070|0.00007417|0.00010977|0.00008651|0.00005910|0.00009637|-0.00008834|-0.00008326|-0.00005488|-0.00024644|-0.00019357|-0.00020397|-0.00635051|0.01929414|-0.01706320|0.01065066|-0.02369351|0.01991486|0.08134568|0.05946493|-0.22309611|0.13534538|-0.00428724|0.01325774|-0.00960568|-0.00006072|0.00072820|0.00065222|-0.00024563|-0.00048552|-0.00083604|-0.00012148|-0.00009800|0.00014689|0.00003630|-0.00017375|-0.00021698|0.00040537|0.00064134|0.00055903|0.00094745|-0.00042195|-0.00039727|0.00013864|0.00000512|-0.00059226|0.00017658|0.00002449|0.00009305|-0.00003746|-0.00019663|0.00002611|-0.00055021|-0.00011965|-0.00037010|0.00423905|-0.01438983|0.01165861|0.00591615|-0.01468097|0.01122841|-0.06477371|0.23902291|-0.04684327|0.13132179|-0.16720704|-0.00907243|0.02600134|-0.01962320|0.00052670|0.00134726|0.00056010|0.00070777|-0.00003538|0.00080640|-0.00004361|-0.00047106|0.00037677|-0.00007956|-0.00012044|-0.00084773|-0.00062677|0.00100296|0.00064711|0.00054933|0.00018092|-0.00034449|-0.00007539|-0.00045267|0.00063283|0.00036888|-0.00023710|0.00003623|-0.00014921|0.00000789|-0.00008196|0.00029806|-0.00019273|0.00024783|0.00387989|-0.01452571|0.01357675|-0.00107945|0.00440135|-0.00387039|0.05409374|-0.14488525|0.17968997|-0.00403947|0.01194562|-0.00911013|-0.09035840|0.06880943|-0.05015904|0.01308282|-0.02191780|0.01562165|-0.00461874|-0.00471001|0.00157900|0.00144338|-0.00118762|-0.00004862|-0.00289413|0.00053367|0.00253153|-0.00752610|0.01928536|-0.01419695|-0.00105715|0.00169426|0.00216940|-0.00045749|0.00047417|-0.00065036|0.00017987|-0.00019729|-0.00047064|-0.00057715|0.00054616|-0.00031973|0.00060684|0.00003811|0.00027165|0.00085458|-0.00050891|0.00047653|-0.00002542|0.00034473|0.00069194|-0.00034447|-0.00163327|-0.00277838|0.09358321|-0.00507997|0.01328700|-0.01004507|0.06683072|-0.22537130|0.11990283|0.01082303|-0.01486917|0.01173423|-0.00419841|-0.00333494|0.00058620|0.00130344|-0.00050446|-0.00011797|0.00060521|-0.00096355|-0.00094504|0.00444012|-0.01229032|0.00987754|-0.00014626|-0.00114061|-0.00162929|0.00052290|-0.00066884|0.00043869|-0.00024494|0.00019141|0.00024055|0.00054393|-0.00021969|0.00023700|-0.00008126|0.00010622|-0.00004643|0.00016317|0.00087059|0.00111054|0.00058197|0.00063144|0.00098825|-0.00156687|-0.00030582|-0.00336156|-0.07317668|0.24420280|-0.01093787|0.02625291|-0.02002522|-0.04985281|0.12259546|-0.14803606|-0.00423181|0.00324515|-0.00381430|0.00220684|0.00057551|0.00010631|-0.00042511|0.00010499|0.00029300|0.00143653|-0.00196192|-0.00144499|0.00714493|-0.01721605|0.01022326|0.00047693|-0.00120999|-0.00096948|0.00027562|-0.00028817|0.00053196|-0.00002300|-0.00008968|0.00023737|0.00019800|-0.00011014|0.00013982|-0.00008297|-0.00001702|0.00003143|0.00117959|0.00018540|0.00100715|-0.00018124|-0.00038776|0.00152951|-0.00296078|-0.00361151|-0.00542983|0.05506154|-0.12745862|0.16227857|-0.00383140|-0.00249750|0.00318960|-0.01322132|-0.00196106|-0.02358401|-0.15143574|-0.01091601|-0.11206438|-0.01394346|0.01196566|-0.01751987|-0.00028173|-0.00202058|0.00201057|0.00196631|-0.00003308|-0.00264079|0.00036041|-0.00065844|-0.00018870|0.00023919|0.00031351|0.00023923|-0.00038634|0.00012211|0.00066716|0.00020950|-0.00004179|0.00007044|-0.00009377|-0.00013702|-0.00001956|-0.00012840|-0.00010753|-0.00001233|0.00028501|-0.00021124|-0.00008713|-0.00057273|-0.00062718|-0.00151714|0.00008852|0.00027805|0.00014806|0.00178323|-0.00009536|0.00030844|0.16385359|-0.00478269|-0.00242194|0.00254411|-0.01405271|-0.00180371|-0.02172311|-0.00960866|-0.06228193|-0.01399064|0.03036748|-0.01212965|0.03255923|0.00377562|0.00543407|0.00156327|-0.00292556|0.00070950|0.00411911|0.00063746|-0.00043756|-0.00077339|-0.00037700|-0.00029289|-0.00000506|0.00042121|0.00011830|-0.00078496|-0.00022047|0.00001792|-0.00011772|0.00009813|0.00037059|-0.00002220|0.00061927|0.00012964|0.00031020|0.00021086|0.00016215|0.00028516|-0.00096495|-0.00078086|-0.00144406|0.00007647|0.00012668|-0.00003170|0.00059924|0.00065788|-0.00062030|0.00389200|0.07065705|0.00082793|-0.00014071|0.00033013|0.00511941|0.00126738|0.00564578|-0.11293064|-0.01672615|-0.22631534|-0.00801985|0.01009063|-0.00017426|-0.00074689|-0.00135647|0.00095495|0.00122165|0.00062034|-0.00016068|-0.00054334|0.00007264|0.00005940|0.00007071|0.00023283|0.00013679|-0.00025250|0.00023832|0.00022359|0.00012848|-0.00021419|0.00010726|-0.00024716|-0.00010027|-0.00006927|-0.00026528|-0.00001188|-0.00002533|-0.00008603|0.00029640|0.00017167|-0.00011254|0.00015540|0.00031333|0.00034444|0.00013330|0.00026740|-0.00038182|-0.00110282|0.00137658|0.13418687|0.00767809|0.24140060|0.00118769|0.00145033|0.00079276|-0.01211494|0.00807795|0.01925849|-0.14145462|0.03460153|0.11803604|-0.01240961|0.00526087|0.01265997|-0.00020308|-0.00068922|0.00028053|-0.00038955|0.00221061|0.00052705|-0.00293314|-0.00161696|0.00073906|-0.00054694|0.00011882|0.00050186|-0.00053051|0.00047977|-0.00018037|0.00027160|-0.00028620|0.00032455|-0.00065536|0.00000452|-0.00037678|-0.00001024|0.00022395|0.00004544|0.00011156|-0.00086940|-0.00064310|0.00057001|0.00012904|-0.00010752|-0.00031410|0.00014181|-0.00027797|-0.00051039|-0.00092095|0.00023501|0.01426654|-0.00556546|-0.01842984|0.15579692|0.00065780|0.00146973|0.00042698|-0.01260795|0.00909021|0.01934387|0.03123222|-0.07597232|-0.04957286|0.02607695|-0.01158423|-0.02637256|0.00157123|0.00147249|-0.00192713|-0.00003967|-0.00612679|0.00080200|-0.00364110|-0.00330307|0.00043943|-0.00069554|-0.00009662|0.00110209|0.00059373|-0.00008668|-0.00080635|-0.00025134|0.00018460|-0.00021575|0.00008650|0.00055115|-0.00013182|0.00062750|0.00012004|0.00014054|-0.00011777|-0.00032403|-0.00014540|0.00025297|0.00008312|0.00029239|0.00001695|-0.00000480|-0.00028577|0.00034514|-0.00044984|0.00010323|0.00057857|0.00161768|-0.00318370|-0.04423184|0.08302545|-0.00089647|-0.00123925|0.00037060|0.00072070|-0.00146264|-0.00243553|0.12580845|-0.05496581|-0.24850188|-0.00487307|0.00140033|0.01087742|0.00035603|0.00015372|-0.00022893|-0.00114547|0.00187131|0.00110067|-0.00025568|0.00065868|0.00074977|0.00010745|0.00021527|-0.00021479|-0.00009200|-0.00016374|0.00024466|-0.00004272|0.00011854|-0.00006424|0.00026129|-0.00009046|0.00010542|-0.00001720|-0.00013393|0.00002162|-0.00026109|0.00039529|0.00077157|-0.00024777|0.00015682|0.00016581|0.00019815|0.00033069|0.00028762|0.00040686|0.00030273|-0.00014666|0.01545538|-0.00677213|-0.02521786|-0.13435208|0.05969000|0.26139455|0.00006820|-0.00005600|0.00002496|-0.00024184|0.00009369|-0.00011148|0.00018688|0.00173750|0.00001043|-0.02147215|0.00180865|0.01851104|-0.17387411|0.02832525|0.13374593|0.00123521|-0.00568318|-0.00080145|-0.00065217|0.00027084|0.00114536|0.00015128|-0.00006490|0.00007204|-0.00008315|0.00042845|-0.00002635|0.00028678|-0.00016110|0.00009837|-0.00039357|-0.00014586|-0.00008093|-0.00021530|0.00001096|-0.00020687|0.00002141|-0.00006990|-0.00004642|0.00000635|0.00002637|-0.00002121|-0.00004999|0.00002128|0.00003888|0.00006570|-0.00003772|-0.00006557|0.00022216|-0.00028139|0.00003663|0.00059815|-0.00072546|-0.00025028|0.19165512|0.00004867|-0.00001034|-0.00005108|-0.00020985|0.00054438|-0.00008886|-0.00061816|0.00169371|0.00164065|-0.02785776|0.00472654|0.02663333|0.03546136|-0.06964968|-0.03987965|-0.00115770|-0.00579931|-0.00022847|-0.00122986|0.00018388|0.00135827|-0.00012119|-0.00015053|0.00005957|-0.00041315|0.00011855|0.00012853|0.00012863|-0.00011132|0.00005167|-0.00016234|-0.00013880|-0.00000160|-0.00012229|0.00007740|-0.00022654|-0.00000201|-0.00004158|-0.00003339|0.00003308|0.00002470|0.00001088|-0.00002393|0.00000448|0.00001822|0.00010478|0.00006229|-0.00004600|0.00017222|-0.00037152|-0.00006633|0.00023353|-0.00016625|-0.00040469|-0.02563635|0.07192919|-0.00002167|-0.00001571|0.00003570|0.00002429|0.00033430|0.00005990|0.00032801|-0.00109909|-0.00012948|0.00230523|0.00168828|0.00117563|0.13783543|-0.03396112|-0.22422546|-0.00090829|0.00070943|0.00087574|-0.00001521|-0.00018524|0.00013726|0.00003055|-0.00003036|0.00010494|0.00019305|0.00011120|0.00002919|-0.00012141|0.00009616|-0.00006500|0.00016756|0.00007978|0.00002952|0.00016615|0.00003747|0.00002855|-0.00001151|0.00004791|0.00002822|-0.00001830|-0.00000636|-0.00001252|-0.00000950|-0.00001007|-0.00004455|-0.00000865|0.00003545|0.00001304|-0.00006450|-0.00000851|-0.00036856|-0.00017194|0.00060765|0.00030399|-0.15316743|0.03776829|0.23674397|0.00001182|0.00002524|0.00005359|0.00076207|-0.00144466|0.00023483|-0.00341753|-0.00249868|0.00126625|0.01754422|-0.02704185|0.00468277|-0.15380272|0.13473412|-0.03427009|0.00129258|-0.00005985|0.00135265|0.00036922|0.00018684|-0.00037385|-0.00001061|-0.00012801|-0.00006659|0.00005528|0.00033272|-0.00057473|-0.00021864|0.00002576|-0.00003314|0.00010387|0.00012436|-0.00001078|0.00021688|0.00007208|0.00009972|-0.00000651|0.00000145|0.00000973|-0.00002180|-0.00000486|-0.00002098|-0.00000326|0.00000235|-0.00003365|-0.00034455|-0.00027242|0.00002552|0.00019281|-0.00035719|0.00036573|0.00015949|-0.00009293|-0.00033668|-0.01225605|0.01825838|-0.00636779|0.15931721|-0.00013234|-0.00001979|0.00020405|0.00124228|-0.00130732|0.00046801|-0.00656366|-0.00104095|0.00149944|0.01573046|-0.03247554|0.00419062|0.12465852|-0.24048813|0.04787627|0.00195997|0.00031097|-0.00073179|0.00025108|-0.00028859|-0.00019553|-0.00022364|-0.00013251|0.00002034|-0.00087735|0.00028321|0.00008536|0.00006981|-0.00020140|0.00012157|-0.00023385|-0.00009309|-0.00011267|0.00017140|0.00032140|-0.00004345|0.00000876|0.00001641|0.00001019|-0.00009502|-0.00007921|-0.00010942|0.00003226|0.00002293|-0.00004460|-0.00058774|-0.00043674|0.00014262|0.00024451|-0.00007222|0.00031129|0.00005583|0.00021077|-0.00019926|0.00308917|-0.00275582|0.00004830|-0.13595505|0.27093798|0.00013606|0.00005590|-0.00006013|-0.00011769|0.00021901|0.00048970|0.00083631|-0.00018912|0.00012044|-0.00000052|0.00299480|0.00039932|-0.03338176|0.04832072|-0.07439879|-0.00061608|0.00055272|0.00024268|-0.00013364|-0.00010885|-0.00006275|0.00005671|-0.00005652|-0.00003230|0.00021843|0.00007631|0.00002969|0.00002827|-0.00000681|0.00003925|-0.00006162|-0.00002627|-0.00005346|-0.00008569|-0.00005178|0.00001502|-0.00000318|0.00000112|-0.00001626|0.00002290|0.00003357|0.00003923|-0.00001260|-0.00001213|-0.00000368|0.00001937|-0.00000823|-0.00000931|0.00024291|-0.00048825|0.00028716|-0.00025575|0.00031030|0.00028599|0.01537379|-0.02435792|0.00862968|0.03723038|-0.05390971|0.07060248|0.00001717|0.00016917|-0.00005437|0.00035270|0.00022004|0.00014186|-0.00046201|0.00302444|0.00081400|-0.02061789|-0.01824705|-0.01804290|-0.12556391|-0.01409966|-0.10574943|0.00299736|-0.00095260|-0.00546478|0.00024743|0.00017722|0.00007650|0.00019235|0.00024061|0.00013122|-0.00039718|0.00057685|0.00060453|0.00022124|-0.00011521|0.00014020|-0.00023322|-0.00009616|-0.00008491|-0.00007689|-0.00000409|-0.00009299|0.00002107|-0.00007361|0.00001556|-0.00002005|-0.00005973|0.00003444|0.00009276|0.00005139|0.00015365|-0.00009324|-0.00015417|0.00007464|0.00104972|-0.00131545|0.00080317|0.00018966|-0.00030530|0.00003130|0.01496675|0.00329384|0.02010416|-0.00970504|-0.00247088|-0.01931020|0.13692392|0.00011963|0.00009714|-0.00004978|0.00020483|0.00015589|0.00035921|-0.00343756|0.00476113|-0.00350240|-0.02782089|-0.01727643|-0.02596973|-0.01461591|-0.06768906|-0.02840893|0.00335178|-0.00032603|-0.00307750|0.00030985|0.00022599|-0.00012381|0.00022733|0.00017561|0.00004320|-0.00055135|0.00046211|0.00045778|0.00026638|-0.00020283|0.00020730|-0.00028919|-0.00022913|-0.00009840|-0.00014406|0.00015405|-0.00012493|0.00001068|-0.00008176|-0.00001179|0.00001485|-0.00006995|0.00006925|0.00011151|0.00004909|0.00019723|-0.00006985|-0.00018106|0.00009779|0.00152920|0.00038440|0.00150298|0.00028516|-0.00029540|0.00013876|-0.00288391|0.00001082|-0.00634330|0.01423346|0.00688229|0.02657422|0.02927497|0.07231892|0.00010536|0.00013678|-0.00011651|0.00017683|-0.00006034|0.00028992|0.00037607|0.00051164|0.00102387|-0.00123293|-0.00517854|0.00914512|-0.10535692|-0.02785406|-0.24782840|0.00118000|0.00046854|0.00202239|-0.00012558|0.00004991|0.00030603|0.00021525|0.00016203|0.00008776|-0.00000907|0.00022236|-0.00000695|0.00005765|-0.00016154|-0.00001071|-0.00016914|0.00003795|-0.00000121|-0.00009021|-0.00009737|-0.00007118|-0.00000113|-0.00001978|-0.00000086|-0.00002224|-0.00000489|0.00005265|0.00006878|0.00000927|0.00005038|-0.00009062|-0.00011251|0.00003359|0.00030427|-0.00176213|0.00002608|0.00000929|0.00013484|-0.00024250|-0.01449427|-0.00267224|-0.02390764|-0.00321186|-0.00022357|-0.00614135|0.12398334|0.03683622|0.26460830|0.00023324|-0.00006787|-0.00008941|-0.00078151|0.00027385|0.00018871|0.00171557|-0.00267460|0.00229542|0.00258861|0.01692382|0.03119786|0.00371308|0.00320991|0.00136718|-0.08279607|-0.04277296|-0.06343872|-0.00232618|-0.00165620|-0.00418678|-0.00069401|0.00177768|-0.00166130|-0.00823838|-0.01572599|-0.02306501|0.00277103|-0.00157385|-0.00030543|-0.00194704|-0.00277421|0.00161168|-0.00473742|0.00011112|0.00055794|0.00009912|-0.00010292|-0.00005512|0.00008131|0.00019482|0.00002492|-0.00014755|-0.00004750|0.00007251|0.00020175|0.00004339|-0.00006359|-0.00017126|-0.00012133|-0.00103791|-0.00061757|0.00072795|-0.00044016|-0.00000476|0.00009470|-0.00028402|-0.00025109|-0.00020231|-0.00018562|-0.00006704|-0.00000937|-0.00164351|0.09131411|0.00064349|-0.00031372|-0.00021670|-0.00187305|-0.00197066|0.00053998|-0.00107649|0.00042747|-0.00030320|0.00040880|0.00219127|-0.00315252|0.00027086|0.00017163|0.00201639|-0.03966405|-0.14487819|-0.11508536|-0.00587310|-0.00981308|-0.02468452|-0.00075730|-0.00293676|-0.00039489|0.00053007|0.00777049|0.00849541|-0.00036574|0.00101500|0.00073308|0.00042546|0.00049319|-0.00090745|0.00016713|0.00094764|0.00096660|-0.00000923|-0.00010849|-0.00030918|0.00002040|0.00007173|0.00007800|-0.00002029|-0.00001179|0.00003798|0.00038114|-0.00042688|-0.00036313|0.00035376|-0.00018432|0.00032292|0.00053057|0.00019853|0.00006642|0.00024461|0.00007395|0.00009518|-0.00019399|0.00027518|0.00008883|0.00092636|0.00066202|-0.00031305|0.04434401|0.14492770|-0.00041344|0.00022960|0.00007226|0.00136089|0.00115039|-0.00009533|-0.00090655|0.00223374|-0.00339584|0.00537822|-0.01641712|-0.02762542|-0.00251561|-0.00331027|0.00211353|-0.05957555|-0.11393551|-0.22914247|0.00274697|0.00522080|0.01098032|-0.00151221|0.00234932|0.00017306|-0.00469114|-0.00530728|-0.00593729|0.00058984|-0.00162693|-0.00022929|-0.00107824|-0.00068462|0.00048303|-0.00055230|-0.00076824|-0.00052932|-0.00000021|0.00003712|0.00019223|-0.00007300|-0.00009155|-0.00001749|0.00010902|0.00001089|0.00009073|-0.00022394|-0.00003326|0.00014289|0.00055321|-0.00070898|0.00078363|0.00077037|-0.00102585|0.00032189|0.00016561|0.00037236|0.00053564|-0.00004551|0.00057779|-0.00046461|0.00165705|0.00119875|0.00067338|0.05898336|0.13171534|0.25015025|-0.00280050|0.00059455|0.00063444|0.00315868|-0.00403588|0.01944027|0.00001962|0.00007293|0.00018525|-0.00057791|-0.00254154|0.00024407|-0.00018583|0.00041159|0.00059377|-0.00084936|0.00230849|0.01185081|-0.05998572|-0.00345747|0.00077492|0.00092165|0.00739230|-0.03350371|-0.00246195|0.00122545|0.00094161|-0.00069883|0.00018997|0.00049678|-0.00221248|0.00367142|0.00029844|0.00388654|-0.00067590|-0.00029759|0.00038532|0.00036668|0.00074273|0.00016027|0.00011363|-0.00011756|-0.00002096|-0.00001883|0.00019229|0.00117918|0.00001116|0.00006133|-0.00049849|-0.00018319|-0.00006032|-0.00040730|-0.00008008|-0.00014862|-0.00018785|-0.00019897|-0.00001256|0.00001318|-0.00006155|-0.00000626|-0.00006617|-0.00005332|-0.00005393|0.00065102|0.00055240|-0.00048136|0.06080046|0.00357700|-0.00141483|-0.00132976|-0.00010637|0.00593158|-0.02418095|0.00079288|-0.00194267|-0.00105539|-0.00082551|-0.00336985|0.00053169|-0.00014998|0.00082414|0.00107738|0.00315017|0.00011921|0.03010882|-0.00237723|-0.07501152|0.06901694|0.00158825|-0.00200523|0.00322936|0.00116528|-0.00278287|0.00148434|0.00106722|-0.00061214|-0.00212964|0.00012599|0.00001787|0.00086754|0.00004870|0.00057062|-0.00066376|-0.00038110|-0.00063934|-0.00104531|-0.00017946|-0.00005633|0.00019727|-0.00002117|0.00011316|0.00003160|-0.00126368|0.00127948|0.00013213|-0.00014514|0.00046086|-0.00006484|0.00026607|0.00040775|-0.00001799|-0.00038463|-0.00029381|0.00004318|0.00007595|0.00008878|-0.00003532|-0.00008748|-0.00004404|-0.00012657|-0.00043853|0.00151463|-0.00137848|-0.00571801|0.07690940|0.00301062|-0.00136065|-0.00018019|-0.00193959|0.00578045|-0.01470277|0.00031602|-0.00054970|-0.00141400|0.00049945|-0.00034497|0.00056443|-0.00018909|-0.00020012|-0.00018133|-0.00037118|-0.00168506|0.00014137|0.00432976|0.06788591|-0.33528832|-0.00275702|0.00279344|-0.00753935|-0.00204711|0.00055652|0.00048796|0.00009161|0.00002537|0.00027620|-0.00101364|0.00077915|-0.00020848|0.00092928|0.00070174|-0.00033208|-0.00032110|-0.00040704|-0.00082074|-0.00016723|-0.00002900|0.00002410|-0.00003802|0.00019052|0.00028761|-0.00036915|-0.00059052|0.00203160|0.00038848|0.00021662|0.00030521|0.00058561|0.00023097|0.00005256|0.00003646|0.00003594|0.00001821|-0.00000669|0.00002133|0.00001840|0.00007402|0.00003984|0.00005790|0.00036612|0.00076051|0.00078401|-0.00122053|-0.07499827|0.35586051|-0.00007997|-0.00003331|-0.00002017|-0.00003858|0.00007449|-0.00021484|-0.00000812|0.00001840|0.00005023|-0.00033329|-0.00024406|0.00018078|-0.00003224|0.00039286|-0.00005620|0.00020887|0.00117364|-0.00013563|-0.00069368|0.00099300|-0.00050632|-0.00588575|0.00153600|-0.00398473|0.00737849|0.02331480|-0.00451859|-0.08428341|0.06952240|-0.03043879|0.01023792|-0.02692312|0.01240479|-0.00279529|-0.00799063|-0.00148186|0.00000131|0.00003126|0.00002908|0.00001595|0.00001164|-0.00000747|0.00001242|-0.00000163|-0.00001243|-0.00009042|0.00006579|0.00006386|0.00000112|-0.00000205|-0.00001708|-0.00004557|0.00000533|0.00002294|-0.00003537|-0.00005776|0.00001911|-0.00000237|-0.00011308|0.00001072|0.00000037|-0.00007142|0.00000432|-0.00016311|-0.00002884|-0.00012468|-0.00024811|0.00018737|-0.00012955|0.07559221|0.00003274|-0.00001777|0.00001648|-0.00004354|0.00002872|0.00012121|0.00000324|0.00001703|-0.00004555|0.00031595|0.00011907|-0.00013307|-0.00000147|-0.00022285|0.00003273|-0.00022024|-0.00060387|-0.00004715|0.00020205|-0.00009333|0.00001111|-0.00026316|0.00023667|0.00181335|-0.00092647|-0.00078965|0.00038450|0.05880252|-0.34469107|0.09792637|0.00555174|-0.01971848|0.00477521|-0.00400264|-0.00125314|0.00191054|0.00001976|-0.00002113|-0.00002492|-0.00000733|0.00001964|0.00000062|-0.00001165|0.00000091|0.00002064|0.00004771|-0.00003877|-0.00003125|0.00000801|-0.00000221|0.00001602|0.00004339|-0.00000948|-0.00001997|0.00003516|0.00003010|-0.00001529|-0.00000621|0.00006364|0.00000822|0.00001118|0.00004058|0.00000110|0.00010646|-0.00002637|0.00007375|0.00010098|-0.00006942|0.00004778|-0.06048263|0.36745263|0.00001046|0.00002083|-0.00000606|-0.00010430|0.00000204|0.00002026|0.00000832|0.00007150|0.00003103|0.00015453|0.00009925|0.00002590|0.00006367|0.00005185|-0.00001166|0.00023505|-0.00004609|-0.00120531|-0.00000258|0.00016972|-0.00035534|-0.00346899|0.00247988|0.00558155|0.00212592|0.00683803|0.00013137|-0.02798214|0.10123370|-0.07731471|0.00394172|-0.00441542|-0.00578348|-0.00268599|0.00091414|0.00913363|-0.00001797|0.00000369|0.00000790|-0.00001658|-0.00002630|-0.00000605|0.00000248|0.00000241|-0.00000408|-0.00002415|0.00001881|-0.00000137|-0.00000125|-0.00001432|-0.00000978|-0.00000914|-0.00000898|0.00001181|0.00001533|-0.00000576|0.00000436|0.00000387|-0.00000766|0.00003313|-0.00000200|0.00000498|-0.00001473|-0.00044153|-0.00009679|-0.00003457|-0.00006894|0.00010712|-0.00003025|0.02860153|-0.10763567|0.06820696|-0.00034855|-0.00038360|0.00000700|-0.00006944|0.00012970|-0.00025308|-0.00003395|-0.00014788|0.00002631|-0.00005688|0.00010919|0.00006092|-0.00010731|0.00000671|-0.00000367|-0.00094632|-0.00121933|-0.00060467|-0.00130923|-0.00031887|0.00010519|-0.00196336|-0.02819897|0.01029049|-0.00643438|0.00165833|-0.00421609|-0.00026233|0.00722484|-0.00350469|0.01897579|0.01623207|0.00508356|-0.24595474|-0.22553024|-0.00899416|0.00024324|0.00006125|-0.00000400|0.00009461|0.00041642|0.00002367|-0.00004840|-0.00004169|0.00004234|-0.00004346|0.00004019|0.00007598|0.00004654|0.00006038|0.00002618|-0.00000871|0.00001614|-0.00000925|0.00000232|-0.00001788|0.00000924|0.00000153|0.00000245|-0.00000523|0.00003012|0.00000720|0.00002025|-0.00042583|0.00006301|-0.00012080|0.00002552|0.00003341|-0.00005753|0.00128662|0.00068443|-0.00033734|0.23730660|0.00032680|0.00028310|-0.00008497|-0.00000120|0.00008980|0.00026040|-0.00000707|0.00015739|-0.00010831|0.00028037|-0.00021803|-0.00012988|-0.00005266|-0.00010850|0.00000529|-0.00063508|0.00060693|0.00035525|-0.00016070|-0.00016358|-0.00048117|0.00052962|0.00644170|-0.00500809|0.00084568|0.00455292|0.00091044|0.00693893|-0.00423871|0.00451254|-0.02170986|-0.02134573|-0.00440650|-0.21445090|-0.36590346|0.03725044|-0.00007023|-0.00008781|-0.00001950|-0.00008599|-0.00016566|-0.00000689|-0.00005581|-0.00001225|0.00007478|0.00010333|-0.00008712|-0.00002364|-0.00000565|-0.00006790|0.00002882|0.00006629|-0.00001199|-0.00002869|0.00003846|0.00000894|-0.00002753|-0.00001703|-0.00002225|0.00001519|0.00001531|0.00001564|0.00001594|0.00035993|-0.00007016|0.00011824|0.00001316|0.00000456|0.00009921|-0.00137847|-0.00045145|0.00023905|0.22911276|0.38079361|0.00020066|0.00024332|0.00002945|0.00005632|0.00006403|0.00043660|-0.00002274|-0.00016946|-0.00003898|-0.00064711|0.00017638|-0.00024387|0.00005893|0.00010141|0.00004254|-0.00016693|-0.00003474|0.00158584|0.00025725|-0.00028060|-0.00130150|0.00330970|-0.01217771|-0.00833069|-0.00394643|0.00038334|0.00614475|-0.00398859|0.00455073|0.00279670|0.01561749|0.00700847|-0.01184445|-0.01298923|0.03303441|-0.01216770|-0.00018371|-0.00002999|-0.00005658|-0.00000555|-0.00035236|0.00017032|0.00013963|0.00015049|-0.00010079|0.00000270|-0.00002151|-0.00009886|-0.00006495|-0.00000831|-0.00004847|0.00003845|0.00005187|-0.00001354|-0.00000254|-0.00001518|-0.00000033|0.00002728|0.00000048|0.00001045|-0.00003805|-0.00001696|-0.00003535|0.00023241|-0.00008984|-0.00002525|-0.00048531|0.00019893|-0.00021258|0.00026098|0.00079323|0.00158947|0.00233936|-0.03356044|0.02171278| 163.11095 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 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 86.1925 99.2882 127.7418 222.4151 248.2235 269.5425 280.5720 332.7363 372.8054 408.7209 466.7353 506.2750 548.6515 647.4744 728.2918 736.6350 774.1386 797.1326 880.7931 922.9306 948.3708 989.0319 1003.1987 1036.8027 1051.1473 1080.2557 1100.3803 1162.2625 1170.6297 1185.7674 1212.9283 1237.7799 1272.8058 1289.1719 1329.4023 1332.7106 1346.7898 1392.7104 1405.1478 1408.2167 1449.1490 1456.6814 1479.8435 1507.1039 1528.9697 1544.3137 1567.2203 1578.3383 1610.5223 1640.8343 1642.1680 1648.4774 1652.2136 1665.4649 1673.5159 1772.2360 3103.2503 3124.4205 3187.7458 3202.3689 3223.1456 3239.2053 3244.2144 3257.0152 3261.7146 3279.9278 3294.7266 3437.4977 3936.4730 3.6177 4.6001 2.6835 3.5020 1.0696 1.0557 3.1085 2.8547 3.0770 2.3321 5.2515 1.7310 2.6926 3.4053 3.2950 3.4119 4.4606 5.1446 3.2082 2.7330 2.7667 2.6762 1.4418 2.6511 1.6270 2.6226 2.0354 1.6766 3.3434 2.2739 2.0293 1.4301 1.8630 1.6702 1.7603 1.5417 1.5338 1.6985 1.6404 2.1820 1.9799 1.4170 1.6856 1.3647 2.8778 2.2113 1.3015 3.3264 1.2080 1.0467 1.0506 1.0531 1.0533 4.0087 1.1130 5.3404 1.0741 1.0609 1.0859 1.0408 1.0846 1.0792 1.0843 1.1012 1.0880 1.1050 1.1012 1.0973 1.0825 0.0158 0.0267 0.0258 0.1021 0.0388 0.0452 0.1442 0.1862 0.2520 0.2295 0.6740 0.2614 0.4776 0.8411 1.0297 1.0908 1.5750 1.9260 1.4664 1.3716 1.4661 1.5424 0.8549 1.6791 1.0591 1.8031 1.4521 1.3344 2.6994 1.8838 1.7590 1.2909 1.7782 1.6355 1.8330 1.6133 1.6391 1.9410 1.9083 2.5495 2.4497 1.7716 2.1749 1.8263 3.9637 3.1073 1.8835 4.8823 1.8460 1.6603 1.6692 1.6861 1.6940 6.5512 1.8366 9.8826 6.0946 6.1019 6.5015 6.2888 6.6386 6.6714 6.7236 6.8827 6.8197 7.0036 7.0429 7.6396 9.8833 1.0130 0.3066 0.6133 0.1917 0.4139 0.0262 0.9856 3.7599 0.6491 0.3162 2.8371 71.8736 5.4988 2.7771 42.8965 10.1681 9.3051 11.2006 6.2419 5.7921 3.5633 14.2371 4.4803 25.6471 9.6330 50.7671 6.9887 5.0554 11.2100 14.4691 6.6501 13.2595 17.7682 13.4024 5.8542 4.8898 11.1725 8.6415 24.0578 30.6819 25.6369 11.6138 22.4265 12.7727 9.1921 59.3693 8.4661 45.8729 2.5867 11.5738 6.8614 2.5532 3.6267 14.5260 2.0286 15.8442 63.6801 118.5302 84.9109 31.3631 36.8315 27.2382 54.1516 73.5495 55.0991 42.9883 36.7332 20.5620 98.6302 1.5278 2.6533 0.5300 1.7462 0.4063 0.1172 0.5286 0.5617 0.6572 0.7947 4.1792 0.5446 2.2497 2.9736 0.9215 8.1503 6.2701 4.7549 8.2322 5.1770 2.9332 3.7101 2.2488 4.0102 3.1473 3.1664 2.2712 5.6954 7.1899 5.3214 2.2917 3.8656 3.3700 4.6883 2.7829 9.5820 7.4517 2.6918 11.3320 2.1214 1.5902 2.0501 3.2657 4.4216 8.5736 7.9622 3.3815 65.5419 6.6171 21.4437 12.9791 6.7793 16.9600 2.4137 13.8226 4.1569 49.5040 112.9526 99.5856 74.3183 92.3613 20.9329 119.4335 98.7348 180.2739 72.3036 24.1387 114.3978 97.4017 0.7465 0.6697 0.7229 0.7486 0.7316 0.6370 0.7485 0.0387 0.6369 0.2852 0.2867 0.6857 0.7404 0.6343 0.3900 0.0936 0.0859 0.0953 0.1552 0.7422 0.6711 0.3713 0.6743 0.7186 0.7214 0.7353 0.6934 0.4145 0.3336 0.4155 0.5286 0.7126 0.7409 0.5111 0.7485 0.4809 0.5400 0.7361 0.6009 0.7319 0.7244 0.7157 0.6680 0.7034 0.1219 0.5499 0.6386 0.4278 0.5545 0.7230 0.7497 0.7498 0.7470 0.2551 0.6593 0.2262 0.3815 0.1772 0.3177 0.0968 0.3346 0.4408 0.2165 0.7133 0.1945 0.7394 0.6626 0.2963 0.2842 0.8549 0.8022 0.8392 0.8562 0.8450 0.7782 0.8562 0.0745 0.7782 0.4438 0.4456 0.8135 0.8508 0.7763 0.5612 0.1712 0.1582 0.1740 0.2688 0.8520 0.8032 0.5416 0.8054 0.8362 0.8382 0.8474 0.8189 0.5861 0.5003 0.5871 0.6916 0.8322 0.8512 0.6765 0.8562 0.6495 0.7013 0.8480 0.7507 0.8452 0.8402 0.8343 0.8010 0.8258 0.2172 0.7096 0.7794 0.5993 0.7134 0.8392 0.8570 0.8570 0.8552 0.4065 0.7946 0.3690 0.5523 0.3010 0.4822 0.1765 0.5014 0.6118 0.3560 0.8326 0.3257 0.8502 0.7971 0.4571 0.4427 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 6 6 6 7 6 6 6 6 6 6 7 7 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 14.00307 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 1095.29528 2179.29745 2848.65038 0.99985 0.01694 0.00290 -0.01691 0.99979 -0.01136 -0.00309 0.01131 0.99993 1 0.07908 0.03974 0.03041 1.64772 0.82813 0.63354 124.01 142.85 183.79 320.01 357.14 387.81 403.68 478.73 536.38 588.06 671.53 728.42 789.39 931.57 1047.85 1059.85 1113.81 1146.90 1267.26 1327.89 1364.49 1423.00 1443.38 1491.73 1512.37 1554.25 1583.20 1672.24 1684.28 1706.05 1745.13 1780.89 1831.28 1854.83 1912.71 1917.47 1937.73 2003.80 2021.69 2026.11 2085.00 2095.84 2129.16 2168.39 2199.85 2221.92 2254.88 2270.88 2317.18 2360.79 2362.71 2371.79 2377.17 2396.23 2407.82 2549.85 4464.89 4495.34 4586.46 4607.49 4637.39 4660.49 4667.70 4686.12 4692.88 4719.08 4740.38 4945.79 5663.71 0.231511 0.241185 0.242129 0.196317 -511.378611 -511.368937 -511.367993 -511.413805 1.536542D-04 MUNgauss RevisionA2.1 retrievium 08-Feb-2023 GDB_13 Smiles: CC1CN(C)C2C1C1=C2C=NN1 RHF 6-31G(d) (6D,10F) C1 163.110948 |X|Y|Z| 24.060012 33.828241 13.866231 22.430790 10 6 7 7 3 |36.858105| |12.464420|36.858105| |7.478231|12.378488|36.858105| |6.099098|8.061577|13.121643|53.358707| |4.265588|5.129748|7.780160|18.004083|36.858105| |5.542864|7.657740|8.179888|17.918245|7.791616|36.858105| |7.359902|12.314109|7.993680|10.820632|5.124752|12.078028|36.858105| |6.371885|7.109371|5.389882|8.433144|4.392589|9.152731|12.521004|36.858105| |5.190095|5.856302|5.392118|10.147698|5.423367|12.457074|8.933566|14.219088|36.858105| |4.132405|4.222263|3.923890|6.853098|4.185472|6.550112|5.552942|8.725572|13.471491|36.858105| |4.131532|4.013353|3.495496|5.599140|3.391928|5.125800|5.148499|8.683830|8.569141|14.560002|53.358707| |5.163572|5.029777|3.987254|6.044549|3.458861|5.692125|6.828462|14.255079|8.752340|8.916155|19.255732|53.358707| |17.543390|8.816644|6.696872|7.014142|3.899018|4.439988|5.413708|4.680631|4.069223|3.385080|4.586656|5.454371|0.500000| |17.537546|8.774350|5.454734|6.486754|3.528923|4.769939|6.671416|6.436548|4.830976|4.044178|5.881614|7.788081|0.301931|0.500000| |17.588405|8.782563|6.900207|9.076910|4.636391|5.813510|6.659163|6.644070|5.857982|4.755104|6.309186|7.481844|0.301085|0.301095|0.500000| |8.906739|17.552058|8.797618|7.906974|4.218655|5.722949|8.770590|5.543786|4.566918|3.502548|4.659349|5.805982|0.216216|0.210892|0.173643|0.500000| |5.516495|8.759486|17.385999|12.229080|7.026572|6.960229|6.799826|4.567804|4.580093|3.433874|4.190837|4.735298|0.144119|0.123047|0.138678|0.223855|0.500000| |7.135305|8.663449|17.556168|12.380015|6.888534|5.815732|5.689703|4.376559|4.395375|3.433074|4.231200|4.716689|0.205498|0.142008|0.188218|0.195554|0.301187|0.500000| |4.107870|4.646661|7.059083|12.489000|17.568561|5.659887|4.280993|3.740615|4.373969|3.574454|4.086193|4.166587|0.109428|0.093466|0.124664|0.108820|0.175188|0.205847|0.500000| |3.771225|4.295872|5.653706|12.495009|17.570976|7.079748|4.569814|4.281905|5.655400|4.611944|4.870889|4.735067|0.094804|0.089600|0.117194|0.099263|0.142306|0.142462|0.302086|0.500000| |3.720719|4.647224|6.837735|12.215151|17.406109|6.833671|4.748066|3.931873|4.677174|3.667620|4.136522|4.257164|0.095851|0.087836|0.107142|0.112239|0.203587|0.164095|0.300017|0.299948|0.500000| |4.303289|5.816573|6.510794|12.217538|7.342549|17.497655|8.411029|6.643532|8.539634|5.515141|5.958642|6.368278|0.101127|0.106611|0.121691|0.135079|0.179475|0.135169|0.145321|0.190834|0.209549|0.500000| |5.596230|8.660594|6.290118|8.051760|4.338029|8.439199|17.585811|8.646018|6.617139|4.641886|6.053725|7.866308|0.124633|0.150832|0.137125|0.226482|0.171403|0.130785|0.102032|0.108501|0.119075|0.212146|0.500000| |3.457862|3.510170|3.420870|5.981285|3.954915|5.297879|4.342244|5.883441|8.394093|17.788323|12.616326|8.241585|0.081682|0.093126|0.110361|0.082763|0.084731|0.085327|0.095116|0.126898|0.096754|0.132632|0.104725|0.500000| |4.825977|4.521263|3.526106|5.079770|2.980821|4.528012|5.646192|8.952366|6.044579|6.220559|12.831074|26.134173|0.106932|0.159349|0.136697|0.111887|0.086893|0.087068|0.074915|0.082387|0.075987|0.107400|0.141722|0.131884|0.500000| 511.199483 -2650.398303 970.754527 -71.347201 -1239.791494 728.181372 -511.610122 2.000803 4063FFFFFFFFFFF9 41A027509DFFFFFC 41377F00E5D17457 40D9D1FFFFFFFFFF BBD79CA100000000 419076F8D8000000