Version2.5 2022-12-21T09:59:02Z 10.1021/ja902302h Gaussian16 RevisionB.01 DOC1ROB 28-Nov-2022 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) GDB_13 Smiles: CC1CN2N=CC(=C)C3(CC3)C12 RHF 6-31G(d) (6D,7F) CC1CN2N=CC(=C)C3(CC3)C12 C1[X(C10H14N2)] 72 C1 208 CC1CN2N=CC(=C)C3(CC3)C12 CC1CN2C1C1(CC1)C(=C)C=N2 CC1CN2N=CC(=C)C3(CC3)C12 InChIKey=TVVQQTHCAMYJKE-UHFFFAOYSA-N InChI=1S/C10H14N2/c1-7-6-12-9(7)10(3-4-10)8(2)5-11-12/h5,7,9H,2-4,6H2,1H3 InChI=1/C10H14N2/c1-7-6-12-9(7)10(3-4-10)8(2)5-11-12/h5,7,9H,2-4,6H2,1H3 CC1CN2N=CC(=C)C3(CC3)C12 C01[X(C10H14N2)] 72 C1 208 CC1CN2N=CC(=C)C3(CC3)C12 C[C@H]1C[N@@]2[C@H]1C1(CC1)[C@@H](CN2)C C[C@H]1CN2NC[C@@H](C)C3(CC3)[C@@H]12 InChIKey=RNXFVNZQJZMJSW-DJLDLDEBSA-N InChI=1S/C10H18N2/c1-7-6-12-9(7)10(3-4-10)8(2)5-11-12/h7-9,11H,3-6H2,1-2H3/t7-,8+,9+/m0/s1 InChI=1/C10H18N2/c1-7-6-12-9(7)10(3-4-10)8(2)5-11-12/h7-9,11H,3-6H2,1-2H3/t7-,8+,9+/m0/s1 4.952336512779D+02 -2.611065032367D+03 727.9498804232 -495.5934997 1-A 1843.8167 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| -15.58846 -15.57613 -11.26022 -11.25489 -11.24804 -11.24789 -11.24558 -11.23838 -11.23045 -11.22904 -11.22796 -11.22324 -1.33506 -1.17674 -1.16683 -1.05652 -1.02094 -0.95900 -0.91808 -0.85549 -0.83335 -0.79881 -0.76516 -0.70254 -0.69277 -0.68137 -0.64681 -0.62789 -0.61481 -0.59283 -0.57593 -0.56967 -0.54865 -0.52395 -0.51777 -0.50966 -0.49811 -0.47910 -0.45947 -0.44433 -0.42058 -0.38927 -0.36580 -0.31008 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.13057 0.21059 0.23408 0.24455 0.25867 0.26469 0.28587 0.29564 0.29861 0.30552 0.30890 0.31688 0.33317 0.34241 0.34863 0.35752 0.37866 0.38139 0.39100 0.40842 0.42684 0.43704 0.45106 0.47101 0.51559 0.51826 0.54670 0.56425 0.57819 0.63617 0.67611 0.68750 0.72575 0.73736 0.75143 0.76388 0.77373 0.79950 0.81154 0.83577 0.83819 0.86024 0.87402 0.88063 0.89400 0.91473 0.92360 0.93584 0.95448 0.97399 0.98593 1.00486 1.01487 1.02421 1.04383 1.05266 1.06993 1.09115 1.10438 1.11486 1.13329 1.14287 1.15019 1.15280 1.16491 1.17359 1.18416 1.20195 1.21215 1.21701 1.23301 1.24696 1.25763 1.26882 1.27505 1.29681 1.31340 1.33893 1.35481 1.39013 1.42264 1.43796 1.49433 1.51860 1.53315 1.56757 1.61268 1.62091 1.67186 1.74594 1.78919 1.83249 1.87180 1.88447 1.91255 1.92997 1.96293 1.97667 2.02911 2.04063 2.04861 2.07524 2.09191 2.11524 2.13304 2.17783 2.20695 2.22213 2.23725 2.26368 2.29733 2.31256 2.33614 2.38038 2.39805 2.42309 2.43191 2.45007 2.46568 2.48829 2.50657 2.52020 2.55444 2.57148 2.60556 2.62718 2.64274 2.65710 2.70018 2.72520 2.73532 2.73990 2.78591 2.81997 2.83627 2.86436 2.88077 2.92398 2.94361 2.95151 2.98047 3.02051 3.05829 3.07330 3.14080 3.16253 3.18920 3.25734 3.30789 3.36113 3.49285 3.63496 4.36182 4.52434 4.56162 4.59131 4.64482 4.67940 4.79436 4.83254 4.88151 4.97541 5.10720 5.31381 11.99060 -0.3799 -2.7755 0.0446 2.8017 |XX|YY|ZZ|XY|XZ|YZ| -64.4124 -79.5825 -73.6338 -0.5672 0.1922 1.1921 |XX|YY|ZZ|XY|XZ|YZ| 8.1305 -7.0396 -1.0909 -0.5672 0.1922 1.1921 |XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| 7.2394 -17.2483 1.8280 0.5303 7.1387 -0.4366 -4.2434 -1.9184 -3.2487 1.3651 |XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY| -1335.0766 -928.0216 -239.0419 0.0877 -0.1605 -12.8338 10.6437 6.4202 -3.0551 -355.6309 -280.4499 -191.0413 10.6812 -0.9972 0.4180 0 |0.63269091|0.02184467|0.58299048|0.01924659|-0.03965559|0.63704420|-0.10394821|0.01217529|0.01066564|0.50970356|0.01730163|-0.18847633|-0.06526928|-0.07442456|0.62240365|0.01848740|-0.06443662|-0.14630540|0.07273301|0.02839530|0.63083855|-0.00007194|0.00375090|-0.00251454|-0.07581101|-0.01234089|-0.00715181|0.67833736|-0.00360844|-0.01873578|0.00795653|-0.04073179|-0.17734292|0.05063699|0.10447888|0.50877029|-0.01048156|-0.01945286|0.01421878|-0.00439799|0.03563080|-0.11132277|0.01747329|-0.02670642|0.66198855|-0.00363169|0.00132740|-0.00137651|-0.02117192|0.04190284|0.01652457|-0.17571880|0.06017848|0.11518439|0.61426971|0.00149511|-0.00473851|0.00474437|0.03959027|-0.09382589|-0.01509675|0.00592789|-0.09292257|-0.01661081|-0.11062912|0.62005348|0.00054446|0.00103420|-0.00159085|0.00707337|0.00219732|0.00854072|0.06303820|-0.01976094|-0.14226956|-0.11190756|-0.09341691|0.30268104|0.00217280|0.00030062|-0.00085537|-0.00205619|0.00091314|0.00275855|-0.02672452|0.02317388|-0.02942739|-0.17281224|0.10896480|-0.00559069|0.95553450|0.00211573|0.00080915|0.00034746|-0.00015106|-0.00770653|-0.00139758|0.02354340|-0.01137628|0.00158500|0.02739426|-0.22807938|0.05121020|-0.01494622|0.40414089|-0.00063710|-0.00168013|0.00143580|0.00496460|-0.00470929|-0.00132656|-0.00070364|-0.02148341|0.00650637|-0.01699174|0.11443105|-0.10242264|0.03390040|-0.10605098|0.14785290|0.00045067|0.00031954|-0.00009697|-0.00059604|-0.00127118|-0.00035650|0.00769525|-0.00096233|-0.00336444|-0.07275803|0.02624623|-0.01719511|-0.70538074|-0.04579800|-0.01150804|1.05551780|-0.00065936|-0.00040549|0.00041147|0.00120160|-0.00026165|-0.00161202|0.00083832|-0.00307248|0.00564529|0.06916608|-0.00616623|0.00619493|-0.09225344|-0.14581439|0.02217092|-0.04434881|0.69584952|0.00045459|0.00014202|-0.00015664|-0.00063915|-0.00044546|0.00044881|0.00291816|0.00075956|-0.00019594|-0.02673704|0.00328436|0.00974796|0.00218745|0.02465800|-0.07206936|0.03904546|-0.13440315|0.20836953|0.00037457|-0.00048495|-0.00024227|-0.00197577|-0.00180732|-0.00503306|-0.00123691|0.00076910|-0.00019241|0.00943610|-0.00631953|0.00642722|-0.04425219|-0.04180051|0.00998844|-0.13461264|-0.04468075|0.01111417|0.94952858|-0.00010669|-0.00043007|0.00032109|-0.00085447|-0.00053722|-0.00180157|-0.00320431|0.00030885|0.00045368|0.00846342|-0.01201628|0.00212310|-0.02786325|0.01907149|0.00234384|-0.03866845|-0.23679118|0.03158412|-0.00345160|0.58465319|0.00016678|-0.00011060|-0.00024809|-0.00067196|-0.00210676|-0.00249848|0.00050600|-0.00064965|0.00038799|0.00185024|-0.00888473|-0.00841057|0.00165107|0.01588477|0.03021114|0.00889519|0.02382238|-0.09249842|-0.20674921|-0.00441221|0.26506865|0.00002607|-0.00001617|-0.00004459|0.00015622|-0.00014323|-0.00056238|0.00065659|-0.00003156|-0.00014372|-0.00155113|0.00213769|-0.00058549|0.00843675|-0.00300550|-0.00084614|-0.02921251|-0.00936309|0.01082632|-0.59118965|-0.00049375|0.16020117|0.91232824|-0.00008555|0.00023106|-0.00019280|0.00040398|0.00082287|0.00162051|0.00173382|-0.00015846|-0.00051907|-0.00185364|0.00450189|-0.00091351|-0.00157990|-0.01442595|0.00164965|-0.03954356|0.00891040|0.00942347|0.00037040|-0.13831662|0.00288322|0.00953156|0.73533514|-0.00011457|-0.00002837|-0.00004088|-0.00004544|0.00007251|0.00054202|-0.00022653|-0.00009271|-0.00010926|0.00066268|-0.00064055|0.00042571|-0.00183994|0.00083040|0.00085015|0.01062441|0.00178528|0.00467010|0.16105458|0.00226312|-0.11403972|-0.24042724|-0.00391987|0.21107081|0.00187640|0.00042857|-0.00061217|-0.01163253|-0.00451441|-0.01166371|-0.00042805|-0.00006190|-0.00042400|-0.01549523|-0.01177036|-0.00774199|-0.00171331|0.00127231|0.00099787|0.01910648|-0.00851822|-0.00286033|-0.15059352|0.05862821|0.01408659|-0.01475777|0.02999389|0.00754539|0.55778745|-0.00134423|0.00084400|-0.00041406|0.01037929|0.00596456|0.01694314|0.00262863|-0.00448632|-0.00202137|-0.04201652|-0.01480392|-0.02167990|0.00110093|0.00719400|0.00250283|0.01680310|-0.03675392|-0.00830381|0.06015324|-0.19070289|-0.02316139|0.00717020|0.00596546|-0.00158687|0.00880924|0.63459990|-0.00090123|-0.00042062|0.00126528|0.00396905|0.00713425|0.00968982|0.00109836|-0.00007034|0.00109449|0.00383855|-0.00214588|0.00683668|0.00155914|0.00016033|-0.00043793|-0.00134031|0.00338639|0.00476891|0.01227869|-0.02418224|-0.08632239|0.00962283|-0.01047764|0.00375891|0.09315457|0.14145470|0.46888430|-0.00030402|0.00026513|0.00015882|0.00035233|-0.00009808|0.00022854|0.00066667|-0.00077522|-0.00012332|-0.00620170|-0.00211709|-0.00507721|-0.00081598|0.00214430|-0.00036249|-0.00374422|0.00469925|0.00170896|0.01705471|0.01664661|-0.01190519|0.00015062|0.00014062|-0.00000221|-0.11955145|-0.06687830|-0.02800498|0.74746248|-0.00003525|0.00099194|-0.00030158|-0.00004858|0.00070477|0.00085701|0.00011525|0.00018917|0.00034732|0.00204631|0.00401806|-0.00025998|0.00155730|-0.00107212|0.00030799|0.00268310|-0.00192407|-0.00143639|-0.01286506|-0.02364500|0.00817657|-0.00137095|0.00253993|-0.00091600|-0.05953829|-0.23033224|-0.04596449|-0.01846300|0.66069893|-0.00014086|-0.00013063|0.00065620|-0.00002082|0.00055905|0.00073894|-0.00058480|-0.00021643|-0.00000845|-0.00166594|0.00122154|0.00004702|0.00018348|0.00031400|-0.00081129|0.00107480|0.00038723|0.00188216|-0.00175891|-0.00979979|-0.00253826|-0.00090459|0.00167366|0.00025483|-0.00594472|0.00047542|-0.03065870|-0.03329459|-0.15861413|0.34504528|-0.00070631|0.00038804|0.00049561|0.00125246|0.00077549|0.00099917|-0.00032562|-0.00025525|-0.00010085|0.00142682|0.00007807|0.00284489|0.00078662|-0.00010069|0.00014310|-0.00024385|-0.00192212|-0.00035183|-0.00409170|-0.00553827|0.02465685|-0.00291777|0.00502950|0.00027140|-0.07648820|0.01815659|-0.01115132|-0.10002625|-0.01408993|0.04231598|0.67248641|0.00006674|0.00073285|0.00006305|-0.00014825|0.00075012|0.00118314|-0.00089771|0.00009441|0.00057893|0.00022286|0.00029146|0.00027977|0.00013308|-0.00007167|-0.00088154|0.00047702|0.00113149|0.00135332|0.00792732|-0.00845162|-0.03015005|-0.00144955|-0.00079994|0.00013643|0.01236411|-0.06283737|-0.05393675|-0.01089740|-0.09666249|0.07358831|-0.18940666|0.36387883|-0.00180707|0.00036177|0.00160401|0.00052837|0.00047409|0.00121091|-0.00078121|0.00012550|-0.00057557|0.00084498|-0.00047294|0.00172867|-0.00172691|0.00008104|0.00013578|0.00156497|0.00141092|0.00133745|0.00630754|-0.00580654|-0.01109238|-0.00275574|-0.00080848|-0.00018891|-0.03187164|-0.09558817|-0.20813466|0.06642228|0.12342109|-0.17235701|-0.03806772|-0.04871904|0.71078048|0.00867441|0.00440303|0.00057040|-0.15907100|0.01425864|0.01096049|-0.05504988|-0.03488628|0.02320147|-0.12868634|-0.03802476|0.01334503|0.01804118|0.02077774|-0.00600500|0.00381385|0.00059647|-0.00056889|-0.03271587|0.00916287|-0.01033722|0.00015087|0.00125336|-0.00034619|-0.18933054|0.00189313|-0.05234321|-0.00987597|-0.00289485|-0.00705384|0.01108536|-0.00489832|0.00097200|0.62330602|0.02048560|-0.00360345|-0.00147075|0.04710997|-0.07436856|-0.02477097|-0.03142482|-0.01074289|0.00756887|-0.06008099|-0.17790802|0.05314969|0.00491876|-0.03429529|-0.00307968|-0.00451309|0.00213024|-0.00078042|0.03151754|0.01200336|0.01373000|0.00072952|-0.00687367|-0.00016567|-0.00806077|-0.09552116|-0.00787577|-0.02944539|-0.00284066|-0.01599010|0.00194614|-0.00604838|0.00176464|0.02347326|0.47091227|0.01682337|0.00243047|-0.00352408|0.02365256|-0.01355870|-0.10451290|0.05400020|0.02380455|-0.01008904|-0.00895246|-0.00115622|-0.08001909|0.00188629|0.01779016|-0.00238210|0.00326173|-0.00176683|-0.00241983|0.00537165|0.00443424|0.00524998|0.00191998|-0.00246405|-0.00138515|-0.06281673|-0.00922779|-0.12935936|0.01681645|-0.00304807|0.00088306|-0.03374499|0.00158872|-0.01508853|-0.03907131|-0.05561839|0.66266426|-0.33571082|0.04273757|0.01326309|-0.00513051|0.00014999|-0.00035560|-0.00024664|0.00059371|0.00021371|-0.00009334|0.00084048|-0.00023788|0.00016772|0.00015807|0.00003808|-0.00003381|-0.00004880|0.00005556|0.00007471|-0.00009498|0.00001473|-0.00003492|0.00004812|0.00001624|0.00015330|-0.00014912|-0.00011728|0.00005041|-0.00016273|-0.00002243|0.00013202|-0.00012628|-0.00031429|0.00266223|-0.00048636|0.00027843|0.36327234|0.04198135|-0.06467281|-0.00133991|0.03521421|-0.00460584|-0.00293527|0.00028788|0.00029830|0.00105829|0.00082936|-0.00038580|-0.00000134|-0.00051039|-0.00052298|0.00023145|-0.00011376|0.00017932|-0.00010619|0.00014136|0.00015844|0.00006830|0.00001952|-0.00003464|0.00003817|-0.00042331|-0.00002825|0.00012784|0.00007274|-0.00037936|0.00006275|-0.00002735|-0.00011195|0.00012185|-0.00286042|-0.00263847|-0.00308491|-0.04732849|0.06610360|0.01149134|-0.00113781|-0.05963235|0.02450637|-0.00337802|-0.00291700|-0.00012055|-0.00010728|0.00035120|0.00084103|-0.00074871|-0.00003074|-0.00040460|-0.00032384|0.00007194|-0.00007509|0.00006357|-0.00006448|0.00011679|-0.00003501|0.00018015|0.00001165|0.00004287|0.00003344|-0.00017034|0.00014063|-0.00023874|-0.00004941|0.00010512|-0.00024390|0.00015538|-0.00013804|-0.00072714|-0.00209876|-0.00260571|-0.00123695|-0.01407765|0.00568395|0.05972027|-0.10735053|-0.09730262|0.04837589|0.00403049|0.00819840|-0.00477271|0.00073124|0.00190029|0.00111120|0.00033667|0.00003906|-0.00007791|-0.00015228|-0.00007005|0.00008433|0.00000797|0.00003041|-0.00003729|-0.00002084|0.00005638|0.00003812|0.00001881|-0.00004296|-0.00000436|0.00002669|0.00001150|-0.00007900|-0.00049587|-0.00014826|0.00009418|0.00007752|-0.00007004|0.00011027|0.00017624|-0.00023613|-0.00074221|-0.01449143|-0.03186937|0.01623464|0.11129907|-0.09636074|-0.24641325|0.09442571|-0.01379852|-0.02414466|0.01590365|0.00008811|-0.00044314|-0.00568567|0.00056503|-0.00161992|0.00058787|0.00033386|0.00067472|-0.00073376|0.00006114|-0.00027451|0.00014476|0.00019325|-0.00008154|-0.00000660|0.00001546|0.00009844|0.00001184|0.00025449|-0.00030514|0.00003215|0.00025226|-0.00067528|0.00018656|-0.00013278|-0.00027474|-0.00003938|0.00066183|0.00037017|0.00090890|0.00159137|0.00659118|-0.00311808|0.10667947|0.26694451|0.04814868|0.09494372|-0.10880046|-0.01175031|-0.01935392|0.01218260|0.00058038|-0.00171844|-0.00353036|-0.00030261|-0.00061511|0.00057862|0.00038241|0.00009148|-0.00027157|0.00009303|-0.00010927|0.00003473|-0.00003485|-0.00005940|0.00001070|0.00000858|0.00001796|-0.00001446|0.00024576|-0.00007113|-0.00030365|-0.00008008|0.00024152|-0.00005836|-0.00004918|0.00003412|-0.00001918|0.00076726|0.00079602|0.00121238|0.00041431|0.00006731|-0.00083832|-0.05544487|-0.10333112|0.11105226|-0.09289221|0.01010458|-0.09407337|0.00306277|-0.00227665|0.00769109|0.00018183|-0.00032264|-0.00073742|-0.00002990|-0.00019311|0.00011548|-0.00002855|-0.00017293|0.00002123|0.00000633|0.00005622|-0.00002952|0.00003012|0.00015426|-0.00008532|0.00002251|-0.00009087|-0.00001990|0.00012297|-0.00012202|0.00008462|0.00011236|-0.00004171|0.00001717|-0.00152858|0.00053040|-0.00083756|0.00024936|-0.00027080|0.00041123|-0.01149128|0.00450155|-0.03647002|0.00668310|-0.00052174|0.01676255|0.09891244|0.01041486|-0.06310115|0.02955093|-0.01372711|0.00551129|-0.03007081|-0.00064031|0.00186407|-0.00091054|-0.00005012|0.00036965|0.00016915|-0.00004567|0.00004236|0.00026716|0.00004405|0.00002021|-0.00000890|0.00006218|-0.00000048|0.00007153|0.00000517|-0.00001589|0.00000596|0.00011135|-0.00036554|-0.00019214|-0.00016287|-0.00004847|-0.00000337|0.00049549|-0.00017865|0.00030833|0.00009503|0.00091682|0.00019223|0.00130004|-0.00106582|0.00489759|0.01290932|-0.00180508|0.02857925|-0.01401708|0.06318739|-0.09211842|0.02705665|-0.31489084|-0.00785136|0.00367460|-0.01760045|-0.00009311|0.00117403|0.00052411|0.00020757|-0.00003535|0.00066008|-0.00005354|0.00012089|0.00002506|-0.00004795|-0.00006666|0.00003212|0.00025564|-0.00012127|0.00025055|-0.00000120|0.00008975|0.00005134|0.00032217|-0.00002239|-0.00035829|-0.00009328|-0.00005527|-0.00041717|-0.00029714|-0.00016643|-0.00136982|-0.00064903|0.00042173|-0.00047518|-0.00019735|-0.00012492|0.00401379|-0.00493228|0.00171817|-0.01294751|0.10651924|-0.02996906|0.34005403|0.00379575|0.00038014|0.00615599|-0.13527955|0.01538117|-0.12841452|0.00712996|-0.00198901|0.01298266|0.00013205|-0.00014875|0.00137279|0.00012287|0.00071661|-0.00014708|-0.00003422|-0.00044455|0.00015833|-0.00176859|-0.00096089|-0.00084461|-0.00020792|0.00069187|0.00011153|-0.00201573|0.00527883|0.00326875|-0.00010154|0.00031609|0.00026043|0.00052274|0.00028937|0.00029765|-0.02412493|0.00319334|-0.03152273|0.00124881|-0.00044667|0.00055782|-0.00018052|-0.00023949|-0.00029481|0.00112613|0.00116127|0.00153527|0.14754109|-0.01592204|0.00287903|-0.03133241|0.01469947|-0.06396094|0.02310544|0.01715895|-0.00303482|0.03049514|-0.00060686|-0.00052530|-0.00092960|-0.00008880|-0.00006436|-0.00093010|-0.00002968|0.00011246|0.00007773|0.00011213|-0.00015118|0.00015053|0.00003153|0.00006273|-0.00002088|-0.00052472|-0.00055275|-0.00009878|-0.00000044|-0.00000175|-0.00007138|0.00019223|-0.00008211|-0.00009585|0.00339911|0.00000252|0.00351274|-0.00015500|0.00175342|0.00089936|-0.00051178|0.00083747|0.00108991|0.00130880|-0.00556655|-0.00395571|-0.01972762|0.07094240|-0.01072396|0.00075266|-0.01899491|-0.12875937|0.02486097|-0.26549728|-0.00840322|0.00141923|-0.01543162|0.00069379|-0.00049725|0.00034952|-0.00035780|0.00037245|0.00048696|0.00024280|0.00006149|-0.00001651|0.00031490|0.00004355|0.00021097|0.00006879|-0.00012988|-0.00006435|0.00114087|-0.00153234|0.00017562|-0.00013823|-0.00010666|-0.00011523|0.00021240|-0.00016156|-0.00000427|0.00922908|-0.00154653|0.00847602|0.00066306|0.00065155|0.00059226|-0.00013533|-0.00047049|0.00060769|0.00101694|-0.00429794|-0.00107637|0.13326926|-0.02284076|0.28652207|-0.00021164|-0.00018564|0.00028167|0.00284439|0.00081178|0.00143741|-0.27602970|-0.10644173|-0.05989650|-0.02076172|-0.00910996|0.00274318|-0.00172249|-0.00140935|-0.00049463|-0.00055367|0.00099962|-0.00013679|0.00037816|0.00012611|-0.00002266|-0.00006498|-0.00010572|0.00000736|0.00012234|-0.00113171|0.00012829|-0.00031738|0.00002242|-0.00010256|-0.00004997|0.00001093|-0.00000412|-0.00310774|0.00179542|0.00107153|0.00008042|-0.00018531|-0.00008899|-0.00003437|-0.00003553|-0.00007092|0.00001396|0.00008638|0.00002279|0.00070916|-0.00064909|0.00088728|0.30347811|-0.00156115|-0.00148073|0.00192596|-0.02548891|-0.00535344|-0.01203447|-0.11177132|-0.12297563|-0.02864800|0.01392699|0.01002143|0.00514779|0.00104800|0.00078710|0.00008795|0.00002040|-0.00061724|0.00008339|-0.00023978|-0.00016276|-0.00006505|-0.00002298|0.00008335|0.00000068|-0.00023021|0.00114833|0.00046362|0.00024511|0.00001861|0.00012886|0.00009823|0.00008040|-0.00009523|-0.00038692|-0.00281602|0.00236958|0.00038145|-0.00024217|-0.00018448|0.00054908|-0.00098150|-0.00044063|-0.00002271|0.00004891|0.00003093|0.00133357|0.00243709|-0.00059985|0.12054941|0.11551614|0.00031932|0.00024795|-0.00062566|0.01078663|0.00417926|0.00212797|-0.06322766|-0.03161945|-0.07983273|0.01940706|0.01143230|0.00518079|0.00099827|0.00016552|0.00065893|0.00034733|-0.00047374|-0.00015887|-0.00007348|-0.00000492|-0.00000154|0.00001773|0.00003994|0.00003065|0.00066121|0.00074093|-0.00079022|0.00005328|-0.00013830|-0.00000292|0.00001171|-0.00029179|0.00015626|0.00503175|0.00106159|-0.00215560|-0.00003703|-0.00008750|0.00014048|0.00003447|0.00013558|0.00026754|0.00001824|0.00022613|0.00025784|-0.00009663|-0.00032430|0.00116951|0.05739097|0.03082068|0.07985635|0.00098613|0.00000199|0.00003210|0.00006106|-0.00011742|-0.00002982|-0.07947723|0.00035650|-0.06015341|-0.00110481|0.00236231|0.03877174|0.00598473|-0.00410378|0.00026908|-0.00106354|-0.00043832|-0.00075959|0.00015079|0.00036966|0.00017460|-0.00003924|-0.00013705|-0.00000570|-0.00024200|-0.00029327|-0.00002520|0.00009169|0.00001078|0.00009400|-0.00031236|-0.00003686|-0.00012991|0.00082732|0.00283598|-0.00046877|0.00000758|-0.00018849|-0.00015412|-0.00006171|0.00011840|0.00013963|0.00008599|0.00009264|0.00018666|0.00037217|0.00049490|0.00044379|-0.00390850|0.00208079|-0.03233527|0.07784266|0.00111990|0.00311225|0.00028407|0.00901663|0.00086737|0.03477355|-0.00176685|-0.06330052|0.01670331|0.00438335|0.00093039|-0.02134730|-0.00359698|0.00316500|-0.00095783|0.00111460|0.00008979|0.00033803|-0.00034043|-0.00020303|-0.00036573|0.00005419|0.00007095|0.00000147|-0.00011517|0.00038216|0.00024252|0.00021267|-0.00003817|0.00003568|-0.00027325|0.00003124|-0.00005750|0.00041714|-0.00291646|-0.00075788|0.00013399|-0.00015243|-0.00004337|-0.00021405|0.00048370|-0.00011799|-0.00019117|-0.00039252|-0.00093017|-0.00277206|-0.00602718|0.00337646|-0.00436721|0.00376981|-0.01674338|-0.00239611|0.05945743|-0.00036639|-0.00090808|0.00054150|-0.00293665|0.00039812|-0.00801738|-0.05614225|0.01389738|-0.32121470|0.00734389|-0.00391520|-0.02215457|-0.00257902|0.00426719|0.00260809|0.00157676|-0.00105203|0.00032639|-0.00018835|-0.00056304|0.00004816|0.00010963|0.00028691|0.00004914|0.00047771|0.00036766|-0.00077412|-0.00031726|-0.00022748|-0.00014635|0.00004441|-0.00052486|0.00041848|-0.00026602|-0.00155177|-0.00090811|-0.00000986|0.00020669|0.00012497|0.00019007|-0.00011095|0.00040993|0.00004423|0.00080250|0.00087827|0.00148961|0.00099031|0.00020819|-0.00331167|0.00089943|-0.00629656|0.05428754|-0.01430351|0.35350362|-0.00000644|0.00005049|-0.00018309|-0.00011539|0.00047014|0.00056159|0.00025459|0.00023470|-0.00176921|-0.00395581|-0.00117004|0.00138023|-0.03306400|0.03491637|-0.01279985|-0.13599653|0.12051397|-0.03762892|0.01080894|-0.01476151|0.00420679|0.00128745|-0.00076073|-0.00067174|-0.00193268|-0.00237596|0.00068050|0.00084866|-0.00064765|-0.00011153|-0.00003330|0.00005627|0.00001395|-0.00114723|-0.00096168|-0.00004777|-0.00002330|0.00002837|0.00003853|-0.00000074|0.00011361|0.00002334|-0.00000650|-0.00000346|0.00004872|0.00005267|-0.00002826|-0.00004076|-0.00033785|0.00020391|0.00015626|-0.00002509|-0.00004832|0.00024632|0.16335494|0.00000759|0.00005122|-0.00006481|-0.00020829|0.00024671|0.00013438|-0.00002396|0.00074280|-0.00002600|-0.00334770|0.00444169|0.00271751|0.00059296|0.00800748|-0.00576669|0.12817942|-0.27726000|0.07364369|0.01553561|-0.01795112|0.00590067|0.00075041|0.00014203|-0.00127689|-0.00368414|-0.00302849|0.00181693|0.00124360|-0.00063364|0.00027547|-0.00003647|0.00040877|0.00009377|-0.00078607|0.00037047|-0.00008113|0.00002485|-0.00000246|0.00000564|-0.00001534|0.00005701|-0.00000101|-0.00001782|-0.00001059|0.00001868|0.00004054|0.00002727|-0.00000852|0.00002456|-0.00002871|-0.00003526|-0.00002809|0.00004056|-0.00002417|-0.13658331|0.28410414|-0.00003893|0.00013521|-0.00017033|-0.00041353|0.00078003|0.00023404|-0.00076749|0.00219381|-0.00036990|-0.00050535|0.00316499|0.01674661|-0.00344172|-0.00988581|-0.00963356|-0.03632140|0.07659318|-0.06794001|-0.00744710|0.00309865|0.00598676|0.00048110|-0.00048320|-0.00023246|0.00181517|0.00059539|0.00044893|-0.00019125|0.00031380|0.00032220|-0.00005415|0.00035482|-0.00007456|0.00035836|0.00115694|0.00085149|-0.00001833|0.00000031|0.00000974|0.00000520|0.00004290|0.00002579|0.00001178|-0.00003070|-0.00002424|-0.00008578|0.00006731|-0.00004504|0.00006370|-0.00011939|-0.00006227|0.00000336|0.00013564|-0.00029609|0.04630129|-0.07724655|0.05450812|0.00001192|-0.00003762|0.00003959|-0.00002830|-0.00010177|-0.00023661|-0.00021991|0.00006628|0.00008158|0.00060256|-0.00085684|0.00020610|-0.00049884|0.00021577|0.00043265|0.00027461|0.00149608|-0.00356490|-0.01269912|0.03336249|0.00567617|-0.13956015|0.12490976|0.02947814|-0.00252281|-0.00276403|0.00477162|-0.00000084|-0.00088590|-0.00058512|-0.00142998|0.00046345|0.00022717|0.00026298|0.00090085|0.00049891|-0.00002404|0.00000983|-0.00001145|0.00001128|-0.00001354|0.00000030|0.00002282|-0.00000123|-0.00003300|-0.00012116|-0.00001350|0.00001202|-0.00000106|-0.00001864|-0.00000814|0.00002730|-0.00000680|-0.00006042|-0.00022256|-0.00077634|0.00049868|0.14288441|0.00001602|-0.00000432|-0.00000080|-0.00009519|0.00000229|0.00003157|-0.00002095|0.00000669|0.00001241|-0.00018715|0.00030513|0.00003744|0.00089551|0.00039614|-0.00016387|-0.00216541|0.00033422|0.00043677|-0.00163133|0.00498666|0.00049451|0.13072555|-0.29924453|-0.03943878|-0.00096656|0.00047649|0.00064685|-0.00010343|0.00017149|0.00001477|0.00021601|-0.00013794|-0.00009939|-0.00006021|-0.00024328|-0.00028161|0.00002644|-0.00000360|-0.00000133|-0.00001171|0.00001774|-0.00000533|-0.00001482|0.00000221|0.00001511|0.00003085|0.00000317|0.00000747|0.00002098|0.00001596|-0.00000778|-0.00000614|-0.00000454|0.00000119|0.00037354|0.00052030|-0.00008736|-0.14182752|0.31038445|0.00004506|0.00005950|0.00006081|0.00013704|0.00011381|0.00074766|-0.00012245|0.00001796|0.00008571|0.00003610|-0.00094470|-0.00037319|-0.00124401|0.00065985|0.00137721|-0.00281535|-0.00196255|-0.00813484|0.00710374|-0.01001170|0.00219488|0.02911538|-0.03765942|-0.05243275|0.00511505|0.00168835|0.01282650|0.00014777|-0.00068176|0.00002979|-0.00224282|0.00151196|0.00079572|0.00252389|-0.00190421|-0.00112692|-0.00000302|-0.00004265|-0.00004779|-0.00000895|-0.00002113|0.00000193|0.00000496|-0.00002058|-0.00006114|0.00028037|-0.00006300|-0.00008047|0.00001504|0.00002603|-0.00001961|0.00002236|0.00001275|-0.00006690|-0.00023286|0.00115523|0.00020204|-0.03515090|0.04308471|0.03911080|-0.00001947|-0.00001848|-0.00004610|-0.00005667|0.00008928|-0.00006137|0.00034397|-0.00001014|-0.00012858|-0.00004839|0.00129002|0.00002234|-0.00050531|-0.00365722|-0.00030182|-0.00371511|0.00439083|0.00466820|-0.01170141|-0.03270754|0.00672358|-0.14483151|-0.12968692|0.03247590|0.00076466|-0.00128620|-0.00257388|-0.00025015|0.00076221|-0.00021871|0.00044076|-0.00074293|-0.00031667|-0.00068032|-0.00020067|0.00030655|0.00001414|0.00002218|0.00002153|-0.00000653|0.00005959|-0.00000158|-0.00001456|0.00000380|0.00003128|-0.00002399|0.00002562|0.00000466|-0.00002631|0.00000317|0.00001274|-0.00003504|0.00001383|0.00006667|0.00011862|-0.00064603|-0.00001522|0.01249069|0.01431513|-0.00267358|0.14692479|-0.00000818|-0.00000597|-0.00001816|-0.00002791|0.00000470|-0.00005817|0.00014861|0.00000301|-0.00005597|-0.00024951|0.00034160|-0.00020669|0.00023645|-0.00011858|0.00024440|0.00049015|0.00080768|-0.00016296|0.00049697|0.00561303|-0.00007832|-0.13536548|-0.29670276|0.04313362|0.00013333|-0.00065609|-0.00040521|0.00063730|-0.00045309|-0.00048136|-0.00003675|0.00006137|0.00004177|-0.00021807|0.00003426|0.00027284|-0.00000870|0.00000714|0.00001080|0.00000273|0.00001631|0.00000261|0.00000199|0.00000032|0.00000644|-0.00003313|0.00000881|0.00000032|-0.00002030|-0.00000331|0.00000520|-0.00001186|0.00000375|0.00002490|0.00027581|0.00024541|-0.00024182|-0.01486199|-0.01845311|0.00474724|0.14647406|0.31034012|-0.00002194|0.00000412|-0.00001646|-0.00006750|0.00008741|-0.00031824|0.00020313|0.00001440|-0.00004744|-0.00099367|0.00171980|0.00010227|0.00247904|-0.00074892|-0.00276501|0.00499623|-0.00006126|0.01306908|0.00382688|0.00962356|0.00767885|0.03275509|0.04107294|-0.05451286|-0.00269580|-0.00007750|-0.00766731|0.00087040|0.00093587|-0.00041712|0.00135669|-0.00094001|-0.00043959|-0.00146843|0.00045135|0.00096092|-0.00001019|0.00000692|0.00001194|0.00000699|-0.00000413|0.00001066|0.00000137|0.00000936|-0.00000357|-0.00012263|0.00002772|0.00002967|-0.00001590|-0.00001057|0.00000539|-0.00001847|0.00002142|0.00004126|0.00013052|-0.00065134|-0.00041037|-0.00257838|-0.00470295|0.00488656|-0.03831956|-0.04572588|0.04005251|-0.00039807|0.00001321|0.00005536|-0.00002059|-0.00005672|0.00006824|0.00004358|0.00000138|0.00009725|0.00022730|0.00027838|0.00019843|0.00023604|0.00000147|-0.00005277|0.00021367|-0.00069469|-0.00029400|-0.00170453|-0.00091029|0.00166552|-0.00015694|-0.00005853|0.00019413|0.00724673|-0.01148318|0.00504021|-0.16321263|0.13927576|-0.04819078|0.00358196|-0.00790075|0.00152223|0.00146056|-0.00002091|-0.00093560|0.00008499|0.00001973|0.00002966|-0.00104304|0.00000158|0.00015772|0.00003746|0.00002573|0.00006375|0.00005935|0.00002277|0.00001224|0.00000104|0.00003867|-0.00001883|-0.00000379|-0.00001232|-0.00001752|-0.00005659|-0.00011325|0.00000238|0.00014365|0.00020362|-0.00010909|0.00040229|0.00014813|-0.00023843|0.16536659|0.00010644|-0.00056212|0.00037007|-0.00059101|-0.00028826|-0.00030656|0.00035945|0.00001195|0.00015734|0.00004641|0.00064435|-0.00017631|0.00038170|-0.00036849|0.00040920|0.00098086|-0.00092398|-0.00073647|-0.00404205|-0.00198001|0.00291872|-0.00007943|-0.00008465|0.00001110|0.01631478|-0.01933838|0.00919062|0.13506688|-0.24826728|0.07273801|-0.00125425|-0.00368532|-0.00064033|0.00206481|0.00206715|-0.00087524|0.00017034|0.00025693|-0.00010864|0.00029129|0.00076164|-0.00019735|-0.00003770|0.00000206|-0.00002905|-0.00009675|0.00004341|0.00004091|-0.00000691|0.00003891|-0.00004471|-0.00000946|0.00003358|-0.00002099|-0.00024793|-0.00039784|0.00000997|0.00013818|0.00000899|-0.00001946|0.00007908|0.00012461|0.00000629|-0.14568854|0.26417412|-0.00001345|0.00028636|-0.00011367|-0.00032409|0.00011803|0.00007454|0.00002092|0.00011403|-0.00008135|0.00070660|0.00054384|0.00002801|-0.00009334|-0.00027572|0.00020545|0.00110156|-0.00071360|-0.00044265|-0.00284849|-0.00345955|0.00114166|-0.00002948|-0.00007625|0.00003088|0.01666677|-0.01396351|0.00362918|-0.04625358|0.07180623|-0.07118759|-0.02390340|0.02653789|-0.00756845|0.00018487|0.00222641|0.00037186|-0.00010890|-0.00018286|-0.00002166|0.00004357|-0.00025694|0.00041461|0.00012920|0.00011225|-0.00016207|-0.00004032|-0.00007099|-0.00004290|0.00005110|-0.00002732|-0.00000727|0.00000401|-0.00000093|0.00002420|-0.00022363|-0.00034958|0.00008348|0.00002104|-0.00006454|-0.00001544|-0.00009786|0.00009763|0.00010853|0.05023091|-0.07887928|0.07238802|-0.00001662|0.00017209|-0.00008711|0.00018819|0.00003841|-0.00002913|0.00001481|-0.00005437|-0.00002374|-0.00028792|-0.00052389|-0.00023466|-0.00023306|0.00049227|-0.00007541|0.00012709|-0.00025253|-0.00002883|-0.00082079|0.00184665|0.00009985|-0.00007690|0.00033014|0.00048776|-0.00641245|-0.00088549|0.00113484|-0.36936355|-0.03342490|0.04142540|-0.00102245|-0.00093339|-0.00056660|0.00040481|-0.00086419|0.00165948|-0.00008629|-0.00006200|0.00002926|0.00000264|-0.00016805|0.00007033|0.00004026|-0.00000870|-0.00002636|-0.00006879|-0.00001054|-0.00001299|-0.00005450|-0.00001207|0.00001886|0.00000163|0.00001051|-0.00001393|0.00004137|-0.00003772|0.00001004|0.00048620|0.00026228|0.00015181|0.00036970|0.00187314|0.00003327|-0.01380467|-0.00285623|0.00233413|0.38927872|0.00001773|-0.00040250|0.00016358|0.00003244|-0.00029099|-0.00028197|0.00021248|-0.00019162|-0.00001462|-0.00152338|-0.00098258|-0.00110882|-0.00013875|0.00100057|-0.00006003|-0.00035163|0.00010406|0.00010025|0.00092074|0.00285520|-0.00184630|0.00006414|-0.00144629|-0.00003346|-0.02858806|-0.00007546|0.00630842|-0.02956869|-0.06384452|0.00940944|-0.00524085|-0.00515816|0.00038046|0.00029161|-0.00335707|0.00388792|0.00009680|0.00018973|-0.00003017|-0.00001721|0.00038624|-0.00013650|-0.00006035|-0.00000246|0.00000757|-0.00012868|0.00002053|0.00002130|-0.00007424|0.00004420|0.00004358|0.00001375|0.00004291|-0.00003388|0.00012616|0.00011172|-0.00002723|0.00027350|0.00041183|-0.00006473|0.00125029|-0.00127336|-0.00086680|0.02721055|0.00745085|-0.00550899|0.03574156|0.06362705|-0.00004865|0.00010084|-0.00033178|0.00031718|-0.00004936|-0.00009189|0.00012020|-0.00020473|-0.00041240|-0.00148005|-0.00093808|-0.00083831|-0.00020935|0.00048591|0.00006751|-0.00034139|0.00020807|0.00006112|0.00206109|0.00209465|0.00016783|-0.00017210|-0.00034188|-0.00014197|-0.02065328|0.00438291|-0.00142969|0.03922565|0.00938024|-0.05232676|0.03644622|0.00046891|-0.00206693|-0.00014987|-0.00362447|0.00241830|0.00000663|-0.00003278|0.00012916|0.00001672|-0.00010401|0.00009671|-0.00007872|0.00006540|0.00019828|-0.00008378|0.00001498|0.00004594|-0.00007243|0.00002504|0.00013674|-0.00006132|-0.00002877|0.00016056|0.00012482|0.00010022|-0.00005437|0.00003542|0.00017442|-0.00022022|0.00075410|-0.00114813|0.00022803|-0.01009099|-0.00301513|0.00196803|-0.04602510|-0.01052120|0.05266395|-0.00032669|-0.00006641|0.00075914|0.00032971|0.00017262|0.00024225|-0.00008205|0.00007238|-0.00002701|0.00020431|-0.00055735|0.00019502|-0.00042528|0.00034818|0.00004368|0.00023124|-0.00018121|-0.00005921|0.00054890|0.00106927|0.00239273|0.00058628|-0.00006512|0.00034526|-0.00782932|0.00312562|-0.00186836|0.01445706|-0.00785734|0.01006209|-0.22180052|0.10036920|-0.12759118|0.00141415|0.00052644|-0.00166510|-0.00016264|0.00005027|-0.00029604|0.00002145|0.00003512|-0.00003399|-0.00006593|0.00005069|-0.00065728|-0.00004194|-0.00007895|-0.00004830|-0.00003063|-0.00004084|-0.00000719|-0.00004462|0.00003705|-0.00004052|0.00003826|-0.00010097|-0.00007664|-0.00003309|-0.00003717|-0.00022626|-0.00000009|-0.00009989|0.00016455|-0.00015001|-0.00047018|0.00364418|0.00101888|-0.00038329|-0.00210190|0.22781107|0.00004359|-0.00019498|-0.00014879|0.00031201|-0.00005907|-0.00006563|-0.00002952|-0.00004058|-0.00012721|0.00028919|-0.00043006|0.00039854|-0.00046174|0.00035329|0.00013047|-0.00000205|-0.00016692|-0.00001766|-0.00141641|0.00082523|0.00171779|0.00002207|0.00040923|0.00021348|-0.02141384|0.00951743|-0.01255076|0.02274558|-0.01184753|0.01249008|0.09992474|-0.10244590|0.07610853|0.00242779|0.00096685|-0.00518322|0.00008182|0.00007496|0.00012972|-0.00005201|0.00011024|-0.00003615|-0.00001160|0.00002950|0.00025122|-0.00005375|0.00003256|0.00006956|-0.00002663|-0.00000436|0.00004307|-0.00001864|-0.00002340|0.00007044|0.00000994|-0.00007417|-0.00011400|-0.00009546|-0.00001518|-0.00019766|0.00003487|-0.00002683|0.00016175|-0.00125616|-0.00006114|0.00561664|-0.00008376|0.00127481|-0.00346671|-0.10482529|0.10543086|0.00024226|-0.00006825|-0.00050977|0.00022658|-0.00014965|-0.00016836|-0.00002734|-0.00012071|-0.00013824|0.00004643|-0.00061714|0.00042967|-0.00035119|0.00041381|0.00016811|0.00034776|-0.00074131|-0.00028886|-0.00305933|0.00005232|0.00192751|0.00091745|0.00019649|0.00050356|-0.01407331|0.01054138|-0.01370878|-0.01071704|0.00357574|-0.01038220|-0.12187973|0.07332247|-0.16097894|0.00303837|0.00194769|-0.00370850|0.00010101|0.00000904|0.00028139|-0.00000943|-0.00003895|0.00000649|0.00002778|0.00000471|0.00052012|-0.00005795|0.00006230|0.00009260|-0.00003251|-0.00000996|0.00006624|-0.00004802|-0.00003676|0.00010447|-0.00004769|-0.00020503|-0.00005304|0.00000843|-0.00000475|-0.00011794|-0.00002864|0.00009181|-0.00013938|0.00023939|-0.00095849|-0.00236227|0.00016815|0.00122786|0.00172108|0.13432331|-0.08021978|0.17211550|-0.00284006|0.00077332|-0.00009200|0.00011702|-0.00009345|0.00023004|-0.00016299|-0.00007481|0.00011010|0.00012484|-0.00003769|0.00002894|-0.00003463|0.00008306|-0.00004424|0.00003652|0.00002792|0.00000847|-0.00004146|0.00095420|-0.00208201|0.00069236|-0.00061493|0.00016153|0.01250369|-0.00560989|-0.00516294|-0.00967390|0.00454222|0.00270036|-0.27536502|0.09123802|0.13035631|0.00011005|-0.00027967|0.00167245|-0.00017559|0.00005506|-0.00044393|0.00022301|-0.00003471|0.00035760|-0.00464275|0.00175809|-0.00236335|-0.00000710|0.00008582|0.00008004|-0.00001294|0.00004280|-0.00004427|-0.00011448|-0.00014594|-0.00013068|-0.00001485|-0.00001303|0.00001342|0.00024588|0.00002210|0.00024828|0.00003029|0.00002196|-0.00025199|0.00143679|0.00009764|-0.00134901|0.00035701|-0.00017015|0.00238160|-0.01510285|0.00554621|0.01211991|0.29209202|0.00080468|-0.00011711|-0.00018200|-0.00053960|-0.00004228|-0.00055372|0.00010570|-0.00002865|-0.00088972|-0.00021295|0.00035482|-0.00019539|-0.00005316|-0.00056334|0.00021631|0.00042327|0.00044126|0.00006082|0.00046327|0.00155215|-0.00531515|0.00001236|-0.00145325|-0.00032172|0.02082163|-0.00958263|-0.00453310|-0.02699325|0.01166960|0.01100283|0.09258851|-0.08189023|-0.05072593|-0.00076272|0.00112553|0.00266381|0.00003643|-0.00010565|0.00016272|0.00005246|-0.00018427|0.00020990|0.00180185|0.00056629|0.00085673|-0.00005803|-0.00008465|0.00005018|0.00004986|-0.00005236|0.00026890|-0.00019623|-0.00019712|0.00041210|-0.00006214|-0.00006474|0.00002746|0.00049229|0.00006774|0.00058248|0.00008843|0.00005107|-0.00038707|0.00062035|0.00058375|-0.00374077|-0.00055392|-0.00049930|0.00593073|0.00915647|-0.00318009|-0.00772654|-0.09825682|0.08151853|0.00007909|0.00011045|-0.00112549|-0.00031311|-0.00058950|-0.00070746|0.00024550|-0.00026224|-0.00045922|-0.00103379|0.00010911|-0.00051369|-0.00007146|-0.00028268|0.00024385|0.00016328|0.00028847|-0.00008192|0.00034274|0.00245557|-0.00316945|0.00084895|-0.00118886|0.00010302|0.01915846|-0.00330804|-0.01016444|0.01048797|-0.00696996|-0.00978065|0.12529535|-0.04758987|-0.13821006|0.00030086|-0.00107184|0.00271026|0.00031894|0.00001424|0.00057771|-0.00005372|0.00005087|-0.00001627|-0.00045171|0.00015553|0.00175151|-0.00004120|0.00016250|0.00017364|-0.00002782|0.00003795|0.00019056|-0.00003602|-0.00006635|0.00035433|-0.00005758|-0.00010162|-0.00000073|0.00034566|-0.00010946|0.00045789|-0.00023353|-0.00005983|-0.00038247|0.00061809|0.00104472|0.00187067|-0.00042439|-0.00072463|-0.00209554|-0.01688752|0.00588688|0.01515774|-0.13871960|0.05177655|0.14278136|-0.00262491|-0.00132469|0.00012421|-0.00520452|-0.00321786|0.02574487|-0.00447063|-0.00162011|0.00093589|-0.00245139|-0.00779182|0.01034107|-0.00106361|0.00103577|0.00008649|0.00046344|-0.00021085|0.00055062|0.00103941|-0.00122412|-0.00030778|0.00008864|0.00018847|0.00026752|0.00123487|0.00082962|-0.03706234|0.00268846|0.00114298|0.00237230|-0.00545077|0.00335936|-0.00239709|-0.06884956|-0.00258736|0.05033688|-0.00024405|0.00078215|0.00042695|0.00019168|0.00028053|-0.00008869|-0.00001014|0.00004044|0.00022156|0.00116322|0.00081595|0.00032802|-0.00040211|-0.00072606|0.00058268|-0.00000663|-0.00026719|0.00050370|0.00013335|0.00001896|-0.00018758|-0.00010244|0.00001957|-0.00011758|0.00001497|0.00000114|-0.00002125|0.00000887|-0.00071742|0.00014669|-0.00008329|-0.00000649|0.00007930|-0.00056563|-0.00169093|-0.00147466|0.00021915|0.00017129|0.00014658|0.08428362|0.00186998|0.00070258|-0.00017335|0.00070011|0.00398625|-0.01816258|0.00074238|-0.00343688|0.00143190|-0.00998405|-0.01186948|0.03474921|-0.00301270|-0.00116281|0.00150408|-0.00007491|0.00032141|0.00031113|0.00041662|-0.00060662|0.00133355|0.00007231|0.00038317|-0.00006228|-0.00072195|0.00327823|-0.00811091|0.00113111|0.00166316|0.00074354|-0.00157441|0.00137552|-0.00154496|0.00060279|-0.06672628|0.03324787|0.00018899|-0.00066078|-0.00018148|-0.00015887|-0.00014636|0.00011956|-0.00007390|-0.00000788|0.00003376|-0.00171428|0.00088873|0.00046371|-0.00074813|0.00070800|0.00036047|-0.00075598|0.00077448|0.00061115|0.00027771|-0.00006582|-0.00043437|-0.00006730|-0.00000498|-0.00006632|0.00005375|0.00002994|0.00003354|0.00033399|-0.00024483|0.00011154|-0.00003530|0.00000459|0.00004295|-0.00024931|-0.00045474|-0.00054834|0.00008267|0.00011493|0.00023202|0.01269868|0.07115648|0.00136519|0.00036363|0.00025109|-0.00136914|0.00093439|-0.00609240|0.00066224|0.00089879|0.00093136|0.00375885|0.00608498|0.00453983|0.00026024|-0.00047291|-0.00078524|0.00012725|0.00053282|-0.00028005|0.00106337|-0.00063426|0.00010355|-0.00043198|0.00017753|0.00078823|0.00014042|0.00112496|-0.02303034|0.00049001|-0.00074845|0.00159249|-0.00340601|0.00249807|0.00072823|0.04987394|0.03778136|-0.32740719|0.00012600|-0.00041032|-0.00023937|-0.00004758|-0.00022775|-0.00011249|-0.00009357|0.00008605|0.00016953|0.00001158|0.00007779|0.00222830|0.00017719|0.00018707|-0.00029201|-0.00020324|-0.00016742|0.00007322|-0.00009822|-0.00002359|-0.00005222|-0.00010458|0.00001074|-0.00008030|-0.00007047|-0.00003705|-0.00006584|-0.00024750|-0.00088895|-0.00033378|-0.00007493|-0.00029104|-0.00005337|-0.00058569|-0.00116060|-0.00053818|0.00021495|0.00034956|0.00033486|-0.05153835|-0.04604542|0.34762208| 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| 58.7404 101.4058 186.9757 214.0831 239.9394 255.0324 295.7229 332.5243 369.2710 386.9664 514.6841 528.4147 546.6939 563.7126 628.7898 729.6839 779.1488 793.7573 822.1832 841.3945 874.7549 915.7399 980.1872 1000.6513 1019.5849 1044.1476 1044.8192 1057.1944 1072.2191 1081.0613 1107.4091 1186.6505 1203.3092 1211.6881 1219.8357 1249.7606 1270.3546 1290.5799 1301.8082 1328.9236 1334.3999 1393.2143 1420.9469 1429.8242 1465.6230 1480.3970 1509.4791 1535.6187 1538.9100 1573.0573 1590.7623 1613.9161 1640.5456 1654.1403 1673.9783 1674.5684 1845.9365 1898.1566 3199.1012 3210.4041 3211.6594 3238.2101 3260.6067 3273.6679 3299.9930 3317.0464 3336.0266 3338.7236 3355.6026 3393.3038 3419.7217 3436.8623 2.8967 3.2158 1.7816 2.0936 2.8684 2.6771 2.8383 1.9081 2.5802 2.6112 3.8583 4.5712 4.7602 3.1992 4.4128 3.0310 2.1940 1.9056 1.8089 1.5016 1.7924 2.5229 1.7269 1.6996 1.4092 1.4276 1.6391 1.8577 1.8458 2.2411 2.3224 1.4416 2.1722 1.9565 1.4072 2.2866 1.3044 2.4121 1.3118 2.9231 2.5736 1.7638 1.4253 2.0068 1.4107 1.6693 2.2058 1.5634 1.5137 1.3539 1.2446 1.0933 1.0551 1.0956 1.2370 1.1769 6.3551 7.1167 1.0663 1.0542 1.0744 1.0850 1.1017 1.1015 1.0966 1.0569 1.0655 1.0641 1.0914 1.1166 1.1151 1.1089 0.0059 0.0195 0.0367 0.0565 0.0973 0.1026 0.1462 0.1243 0.2073 0.2304 0.6022 0.7520 0.8382 0.5990 1.0280 0.9508 0.7848 0.7074 0.7204 0.6263 0.8081 1.2465 0.9775 1.0027 0.8631 0.9170 1.0542 1.2233 1.2502 1.5432 1.6781 1.1960 1.8531 1.6925 1.2337 2.1042 1.2403 2.3671 1.3099 3.0416 2.7000 2.0171 1.6956 2.4172 1.7854 2.1555 2.9612 2.1721 2.1122 1.9740 1.8557 1.6778 1.6731 1.7662 2.0423 1.9445 12.7587 15.1075 6.4296 6.4015 6.5294 6.7034 6.9013 6.9553 7.0362 6.8515 6.9864 6.9889 7.2405 7.5752 7.6830 7.7170 0.2655 1.0319 0.1036 1.5280 0.0950 8.2816 1.0472 1.9992 0.4339 1.0213 0.0669 1.2314 2.7174 8.7217 8.6173 13.5280 1.0614 3.7101 4.9088 4.4713 6.7695 18.9489 2.7888 8.9561 1.8817 4.1469 9.9078 16.2888 19.5933 13.5047 11.3623 4.8847 8.9310 15.3884 0.8026 1.7677 7.1365 6.3967 0.1896 60.3173 6.4003 1.8463 2.9514 2.0141 21.7418 5.6282 29.6384 16.4032 0.4074 4.0219 12.2250 1.2994 5.6822 9.5621 1.4522 12.8961 7.3312 8.4680 58.3431 26.2624 33.9726 37.8892 28.5280 85.3315 38.9195 22.9275 19.9480 9.2506 23.4470 12.2120 13.1806 14.5953 1.2863 2.5975 0.4746 3.2854 2.1615 5.7811 4.1043 1.3454 1.4767 1.2017 4.9108 2.2486 4.4866 1.9568 16.2947 7.9769 3.1220 3.8328 1.2306 5.3150 0.7896 6.0824 9.7150 4.9092 8.7117 3.5281 5.6056 6.2798 12.4632 4.9406 5.8863 0.4439 1.3051 4.7537 0.2832 2.2991 8.8858 2.7269 3.8644 7.5054 10.6091 19.1777 4.8993 14.5663 0.5630 33.4150 15.5098 3.8895 5.3186 2.4802 24.8168 9.0734 14.3088 13.5377 1.4865 16.2952 11.6922 300.3376 43.5070 132.7155 47.1505 126.2226 82.7091 153.0710 22.7545 49.5100 91.0376 87.7450 136.7868 36.4610 76.8461 43.8474 0.7446 0.7316 0.1415 0.7188 0.7183 0.4254 0.5218 0.6858 0.3763 0.5405 0.7178 0.6938 0.3658 0.5220 0.1262 0.5817 0.4657 0.4776 0.0565 0.7492 0.5060 0.6545 0.4670 0.6714 0.6647 0.5263 0.2669 0.2532 0.7360 0.6916 0.5884 0.7443 0.1429 0.7500 0.4340 0.7190 0.7212 0.2661 0.7135 0.6220 0.1584 0.3766 0.7077 0.2626 0.4729 0.7091 0.1410 0.2661 0.7499 0.6398 0.3612 0.6357 0.6770 0.7500 0.5588 0.7496 0.5417 0.2738 0.1990 0.0437 0.7128 0.3519 0.7189 0.3282 0.6405 0.1902 0.1425 0.1499 0.2548 0.6469 0.7440 0.5498 0.8536 0.8450 0.2479 0.8364 0.8361 0.5969 0.6857 0.8136 0.5468 0.7017 0.8357 0.8193 0.5356 0.6859 0.2241 0.7356 0.6355 0.6465 0.1069 0.8566 0.6720 0.7912 0.6367 0.8034 0.7986 0.6896 0.4214 0.4041 0.8479 0.8177 0.7409 0.8534 0.2501 0.8571 0.6053 0.8366 0.8380 0.4203 0.8328 0.7670 0.2735 0.5472 0.8288 0.4160 0.6422 0.8298 0.2471 0.4204 0.8571 0.7803 0.5307 0.7773 0.8074 0.8571 0.7170 0.8569 0.7027 0.4299 0.3320 0.0838 0.8323 0.5206 0.8364 0.4942 0.7809 0.3197 0.2495 0.2607 0.4062 0.7856 0.8532 0.7095 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 1215.59182 1859.36291 2692.19239 0.99998 0.00538 -0.00426 -0.00537 0.99998 0.00271 0.00427 -0.00268 0.99999 1 0.07125 0.04658 0.03217 1.48466 0.97062 0.67036 84.51 145.90 269.02 308.02 345.22 366.93 425.48 478.43 531.30 556.76 740.52 760.27 786.57 811.06 904.69 1049.85 1121.02 1142.04 1182.94 1210.58 1258.58 1317.55 1410.27 1439.71 1466.96 1502.30 1503.26 1521.07 1542.68 1555.41 1593.31 1707.33 1731.29 1743.35 1755.07 1798.13 1827.76 1856.86 1873.01 1912.02 1919.90 2004.52 2044.43 2057.20 2108.70 2129.96 2171.80 2209.41 2214.15 2263.28 2288.75 2322.07 2360.38 2379.94 2408.48 2409.33 2655.89 2731.02 4602.79 4619.06 4620.86 4659.06 4691.29 4710.08 4747.95 4772.49 4799.80 4803.68 4827.96 4882.21 4920.22 4944.88 0.241974 0.251859 0.252803 0.206684 -495.351526 -495.341641 -495.340697 -495.386816 1.546839D-04 MUNgauss RevisionA2.1 retrievium 21-Dec-2022 GDB_13 Smiles: CC1CN2N=CC(=C)C3(CC3)C12 RHF 6-31G(d) (6D,10F) C1 162.115699 |X|Y|Z| 31.995154 25.285383 13.444864 22.156614 10 6 7 8 2 |36.858105| |12.519364|36.858105| |7.186880|12.358609|36.858105| |5.470714|9.147257|13.086021|53.358707| |4.138548|5.689461|7.834383|19.029499|53.358707| |3.709553|4.752022|5.553193|11.533523|20.579536|36.858105| |3.963835|4.898452|4.908919|9.430459|10.664917|12.844061|36.858105| |3.213739|3.745923|3.670203|6.480935|7.230396|7.783182|14.414104|36.858105| |5.583808|6.910402|5.995103|10.449112|9.163853|7.696336|12.657983|7.538308|36.858105| |5.287324|5.434185|4.406943|6.690810|6.005564|4.932726|7.284582|6.158677|12.759087|36.858105| |5.626957|5.712598|5.147399|7.422626|6.987582|5.654609|7.462435|5.656361|12.655444|12.704487|36.858105| |6.938353|12.200427|8.937340|17.602587|10.387073|6.856487|7.846933|5.331738|12.519662|7.232847|7.083926|36.858105| |17.540533|8.902147|6.303373|6.309700|4.914252|3.189908|3.289624|2.740388|4.280948|4.066733|4.306526|5.275095|0.500000| |17.551677|8.779353|5.354840|6.302187|4.935773|3.396297|3.804834|3.191286|5.387942|5.725863|5.412240|6.256988|0.302737|0.500000| |17.613934|8.708440|6.635742|6.916632|5.599231|3.756898|4.001740|3.239902|5.634370|5.450643|6.552443|6.101225|0.303542|0.301324|0.500000| |8.979429|17.572188|8.864698|10.190164|6.639521|4.106039|4.190557|3.361666|5.390440|4.500727|4.417562|8.954484|0.222998|0.209172|0.173833|0.500000| |5.796629|8.417123|17.585753|12.062050|8.624762|4.566396|3.958480|3.119744|4.511001|3.542450|3.986051|6.256136|0.159146|0.125000|0.146457|0.216137|0.500000| |6.776787|8.655863|17.515709|12.188826|9.841712|5.433101|4.766530|3.587552|5.794663|4.381609|5.629285|7.039444|0.164776|0.139500|0.202940|0.173696|0.298825|0.500000| |3.098377|3.771450|4.399897|8.059485|13.025160|17.692170|8.614570|6.969723|5.565390|4.053723|4.616877|4.941543|0.075923|0.079614|0.088184|0.093116|0.106344|0.123433|0.500000| |2.771652|3.213591|3.261650|5.681091|6.669110|7.131053|9.113249|17.702728|5.447115|4.577457|4.424224|4.323462|0.067254|0.075787|0.077651|0.081759|0.079286|0.088921|0.207688|0.500000| |3.121134|3.499209|3.278761|5.502299|5.752654|5.532125|9.052248|17.736582|6.767665|6.712047|5.462013|4.786637|0.073868|0.088816|0.087207|0.088206|0.078089|0.089103|0.139451|0.289530|0.500000| |6.102139|5.760628|4.286951|6.156589|5.261287|4.076017|5.426941|4.718973|8.644952|17.701599|8.596320|6.779854|0.127639|0.206159|0.165798|0.135915|0.097397|0.115673|0.094542|0.103501|0.142523|0.500000| |4.086028|4.199420|3.594393|5.533148|5.244812|4.485413|6.730046|6.753225|8.548534|17.726622|8.575270|5.434910|0.092214|0.122976|0.116794|0.101659|0.083256|0.099600|0.107289|0.137636|0.236814|0.293934|0.500000| |4.337373|4.425529|4.308197|6.301695|6.506631|5.581695|7.127814|5.867404|8.641811|8.618838|17.711840|5.373302|0.098099|0.115832|0.139535|0.099825|0.096617|0.133817|0.135042|0.130982|0.155706|0.171087|0.211281|0.500000| |6.973024|6.240631|5.556921|7.091037|6.398352|4.752504|5.521792|4.333888|8.483057|8.561688|17.786303|6.469910|0.143796|0.176072|0.262831|0.129331|0.118921|0.179157|0.110302|0.099587|0.116411|0.209967|0.171446|0.294101|0.500000| |5.623046|8.592280|6.403560|12.223717|8.375774|5.871667|6.994793|5.296657|9.061240|6.457748|5.504040|17.545381|0.126495|0.154138|0.133561|0.230431|0.142981|0.142388|0.123669|0.120325|0.136228|0.176638|0.145399|0.123169|0.137572|0.500000| 495.233427 -2611.064266 962.533551 -70.246144 -1223.543433 727.949933 -495.593500 2.000727 4056FFFFFFFFFFF1 41968D7AFBFFFFFA 413066E5145D1741 40EBCBA000000001 C04C800000000000 418C6277A0000001