Version2.5 2022-04-09T12:23:14Z 10.1021/ja902302h Gaussian16 RevisionB.01 DOC1ROB 22-Feb-2022 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) GDB_13 Smiles: C1C2N1CC13CC21C1CN(C1)C3 RHF 6-31G(d) (6D,7F) C1C2N1CC13CC21C1CN(C1)C3 C1[X(C10H14N2)] 72 C1 208 C1C2N1CC13CC21C1CN(C1)C3 C1N2CC1C13C(C2)(C1)CN1C3C1 C1C2CN1CC34CN5CC5C23C4 InChIKey=JSOWZVIJUBUDLF-UHFFFAOYSA-N InChI=1S/C10H14N2/c1-7-2-11(1)5-9-4-10(7,9)8-3-12(8)6-9/h7-8H,1-6H2 InChI=1/C10H14N2/c1-7-2-11(1)5-9-4-10(7,9)8-3-12(8)6-9/h7-8H,1-6H2 C1C2N1CC13CC21C1CN(C1)C3 C01[X(C10H14N2)] 72 C1 208 C1C2N1CC13CC21C1CN(C1)C3 C1[N@@]2C[C@H]1[C@]13[C@](C2)(C1)C[N@@]1[C@H]3C1 C1C2CN1C[C@@]34CN5C[C@H]5[C@@]23C4 InChIKey=JSOWZVIJUBUDLF-UXCLJVHYSA-N InChI=1S/C10H14N2/c1-7-2-11(1)5-9-4-10(7,9)8-3-12(8)6-9/h7-8H,1-6H2/t8-,9-,10+,12+/m0/s1 InChI=1/C10H14N2/c1-7-2-11(1)5-9-4-10(7,9)8-3-12(8)6-9/h7-8H,1-6H2/t8-,9-,10+,12+/m0/s1 4.953300872166D+02 -2.686122195854D+03 765.3556623851 -495.5851884 1-A 1590.8049 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| -15.55310 -15.54702 -11.25557 -11.25108 -11.24956 -11.24939 -11.24911 -11.24852 -11.23888 -11.23780 -11.23123 -11.22489 -1.30005 -1.26748 -1.14875 -1.04336 -0.98987 -0.92738 -0.90622 -0.87013 -0.83165 -0.79758 -0.77991 -0.72300 -0.68580 -0.66360 -0.63228 -0.62612 -0.62336 -0.59043 -0.57043 -0.56691 -0.55254 -0.52719 -0.52021 -0.49631 -0.48576 -0.47833 -0.46223 -0.44719 -0.40731 -0.38125 -0.35953 -0.34651 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.22093 0.24360 0.25410 0.26448 0.26790 0.27349 0.28439 0.29169 0.30403 0.30676 0.31864 0.32472 0.33694 0.34091 0.35493 0.35781 0.36864 0.38329 0.39660 0.41712 0.42606 0.43752 0.45201 0.45784 0.47852 0.49186 0.51545 0.55164 0.56197 0.58756 0.68800 0.70230 0.72733 0.74362 0.78222 0.79534 0.80813 0.81077 0.82895 0.83923 0.85262 0.86584 0.88211 0.88713 0.90198 0.90457 0.91441 0.93737 0.95600 0.97500 0.99274 1.01379 1.03894 1.05067 1.05386 1.06804 1.08566 1.09863 1.10231 1.11837 1.12513 1.13844 1.14291 1.14920 1.16262 1.17815 1.19753 1.19993 1.21167 1.22833 1.23664 1.25468 1.26205 1.26529 1.28431 1.31084 1.32404 1.36643 1.37227 1.46835 1.48041 1.50143 1.54993 1.60238 1.62028 1.65022 1.69275 1.72518 1.75594 1.81106 1.85507 1.90056 1.93020 1.94861 1.96781 1.98313 2.03855 2.06597 2.08807 2.11531 2.13074 2.15814 2.16333 2.19768 2.22435 2.24860 2.25506 2.27798 2.28845 2.30962 2.32010 2.34289 2.36404 2.38605 2.40366 2.43445 2.45955 2.49578 2.50688 2.52447 2.54670 2.58235 2.59780 2.61019 2.64399 2.69356 2.70502 2.72610 2.74926 2.77262 2.79656 2.80730 2.84423 2.84669 2.87321 2.89544 2.90057 2.92835 2.93819 2.95733 2.99262 3.05434 3.07822 3.09228 3.15767 3.18238 3.22122 3.23481 3.24027 3.26361 3.27494 3.36877 4.51041 4.60999 4.62481 4.67579 4.76627 4.79213 4.85987 4.94359 4.95920 5.10816 5.13352 5.31499 15.44070 -0.6016 0.8560 0.5455 1.1799 |XX|YY|ZZ|XY|XZ|YZ| -83.0237 -68.8069 -71.0615 0.7245 -4.7666 -0.5365 |XX|YY|ZZ|XY|XZ|YZ| -8.7263 5.4905 3.2358 0.7245 -4.7666 -0.5365 |XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| -13.9194 0.4363 -1.9755 0.8960 11.8539 12.0982 6.3117 0.1645 -1.2376 2.2172 |XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY| -1349.2853 -518.4378 -404.6438 10.4092 -38.1854 0.6499 0.3433 -3.9263 -1.2669 -263.7413 -277.9469 -147.2897 -5.8103 -0.6102 1.6169 0 |0.60478063|-0.18501154|0.54545380|-0.13209022|-0.14768889|0.65261700|-0.10304261|0.07147295|-0.06910637|0.59041845|0.04726892|-0.04472909|0.05705906|-0.13474050|0.40008166|-0.06165164|0.09893871|-0.25120235|0.00033782|0.08478902|0.76665951|-0.05951763|-0.02188309|0.04168679|-0.13493232|-0.01619510|-0.03521062|0.37871755|-0.03440686|-0.23694775|0.08747934|-0.06952549|-0.11221058|-0.09664364|-0.00212174|0.56588220|0.05442844|0.01360537|-0.07865179|-0.07421475|-0.05205712|-0.08895122|-0.02006263|0.08312549|0.30942900|-0.00652390|-0.00571210|0.00048086|0.00664558|-0.01322703|-0.00411051|-0.12495634|0.08215028|0.04450336|0.50842227|0.01456468|-0.03727517|-0.01969362|-0.00378916|-0.02352961|-0.01183766|0.02861850|-0.14185927|-0.02082476|0.08416551|0.64541400|-0.01629338|0.01347458|0.00883753|0.01785776|-0.02762641|-0.02438563|0.02231588|-0.04817803|-0.12024447|0.00883894|-0.03309570|0.68090345|-0.00057284|-0.00112808|0.00076331|-0.00796977|0.01456944|0.02627891|-0.03829627|0.01664471|0.00494189|-0.18804326|-0.00726086|-0.03598515|0.62366635|0.00185131|0.00271437|-0.00048420|0.01717576|-0.01475799|-0.01925137|0.01922773|-0.00629596|0.00162918|-0.01851389|-0.08374069|-0.00463310|-0.01095621|0.39168130|0.00194378|0.00069902|0.00027648|0.00708286|-0.00263383|-0.00617876|0.01181576|-0.00633024|0.00398711|-0.04864244|-0.00500124|-0.11556532|-0.02002880|0.10097987|0.62901067|-0.00640521|0.00412386|0.00268755|-0.00153586|0.02345430|-0.03112750|0.00078479|-0.00097172|0.00144470|0.00040219|0.01915012|-0.02986403|-0.09182769|0.00251090|-0.00020291|0.77033066|-0.00003168|-0.00032280|-0.00201079|0.00947474|-0.01605653|0.01606606|-0.00068892|-0.00037344|-0.00085177|-0.00352849|0.00199967|-0.00681359|0.00452105|-0.03077073|0.05722703|-0.01926762|0.43689459|-0.00012070|0.00244762|0.00025291|0.00161047|-0.00249782|-0.00176067|0.00087499|-0.00038818|0.00007852|-0.00475344|0.00841309|-0.01794843|-0.00716049|0.00342213|-0.23367942|0.00878329|-0.22202992|0.53747326|-0.00100870|-0.00605541|-0.00704475|-0.21718852|0.04860828|0.00476584|-0.03912950|0.00142537|-0.01747788|-0.00790233|-0.03079667|-0.00560829|-0.07592873|-0.00000624|0.00264000|-0.08992278|0.00430076|-0.00538974|0.66231034|0.02703452|-0.01045784|-0.00102981|0.06817892|-0.11187211|0.00336934|-0.03003771|0.00223518|-0.00973428|-0.01179887|-0.00683807|-0.00196969|-0.00488204|-0.15683159|-0.12606237|-0.00048177|-0.21145449|0.10143446|0.01967379|0.66501626|-0.02553045|0.00572742|0.00181049|0.00728560|-0.00174427|-0.08871721|-0.00293695|0.00151306|-0.00429490|-0.01490245|-0.02074981|-0.00949525|-0.00131091|-0.06544891|-0.10848824|-0.00094033|0.05923192|-0.05158883|-0.00544066|0.01442203|0.36515468|0.00233005|-0.00050657|0.00006206|-0.01706455|-0.01719925|-0.00309406|-0.00502674|-0.00035112|-0.00023089|-0.00096931|0.00312272|0.00075948|0.00055338|-0.00721707|0.00060631|0.00437115|-0.00400175|0.00144344|-0.18529594|-0.05717371|0.00750968|0.52805370|-0.00210681|0.00002571|-0.00068454|0.00791259|0.01784866|0.00067260|0.00744009|0.00119889|0.00200919|0.00095317|-0.00390048|-0.00030182|-0.01723393|-0.01936762|0.00076389|-0.01370806|-0.01123936|-0.00405676|-0.05540775|-0.14160439|-0.00349233|0.01043320|0.63747382|-0.00057397|-0.00084645|0.00044798|0.00156755|0.00083296|-0.00019928|-0.00104703|-0.00101784|-0.00098196|-0.00129562|-0.00502530|-0.00077688|-0.02634988|-0.01550911|0.00289850|0.02439750|0.01013838|-0.00414142|0.01367052|0.00616040|-0.08205448|-0.04307009|0.15472120|0.56539194|-0.00093905|-0.00001307|0.00000446|0.00068829|-0.00029033|0.00054940|0.00058392|0.00103065|-0.00010193|0.00035706|-0.00049386|0.00046378|0.00216100|-0.00042873|0.00088059|-0.00579623|0.00020026|0.00168177|-0.00679632|-0.02010536|0.03309474|-0.08088586|-0.02267174|0.01974776|0.67217854|0.00009530|0.00075714|-0.00051393|0.00057268|-0.00001133|-0.00061220|0.00051958|-0.00040363|0.00001928|0.00023695|0.00036106|-0.00096709|0.00305992|0.00203512|0.00042756|-0.00520919|0.00002982|0.00316548|-0.00406014|-0.01430150|0.02317599|-0.02212648|-0.07023468|-0.00249829|0.08794236|0.57594724|0.00081583|-0.00059857|0.00285149|-0.00020707|-0.00174439|0.00039746|-0.00094403|0.00012768|-0.00079913|0.00045315|-0.00008431|0.00106554|-0.00082807|-0.00026069|-0.00134171|0.00002646|-0.00122467|0.00034037|0.00762961|0.01047380|-0.00532927|0.00830997|0.02435904|-0.18258137|0.12328523|-0.09305872|0.58274818|-0.00027821|-0.00027242|-0.00016144|0.00081043|0.00044560|-0.00029172|-0.00145200|0.00055711|-0.00012627|-0.00074512|-0.00015129|0.00565309|-0.03332414|-0.02665519|0.00012311|-0.00289787|-0.00159622|0.00000400|0.00437005|-0.00162915|-0.00664091|-0.00687262|0.04747644|0.03400920|-0.13341274|0.02253651|0.00647043|0.39307771|-0.00061945|-0.00030445|-0.00004961|0.00004769|0.00013469|0.00023504|0.00008070|0.00146128|0.00027375|0.00126135|-0.00061425|0.00123594|-0.00954690|0.00101016|0.00457280|0.00014548|-0.00094484|-0.00097407|-0.00141422|-0.00145073|-0.00138401|0.02827843|-0.04129672|-0.04112732|0.06432930|-0.17329981|-0.03665521|0.03034115|0.54380534|0.00013977|-0.00002188|-0.00077499|-0.00064225|0.00022632|0.00045438|0.00061187|0.00016592|0.00089910|0.00062443|0.00032752|-0.00337728|0.01719794|0.01232171|0.00598535|0.00021065|0.00057079|0.00031507|-0.00238826|0.00032412|0.00301487|0.01672865|-0.05325285|-0.06626893|-0.02792060|0.00830587|-0.06626464|0.04226457|0.08260742|0.45058662|0.00037126|-0.00005246|0.00008002|-0.00101142|-0.00408152|-0.00079822|-0.00152179|-0.00009727|-0.00029900|-0.00061480|0.00092768|-0.00037684|0.00029988|0.00092267|-0.00050399|0.00011635|-0.00144291|0.00298349|-0.03349267|0.01604357|-0.00491191|-0.16224389|0.04032775|-0.00646490|-0.01527920|0.03122728|-0.03872892|-0.07211928|-0.02195995|0.02446426|0.62477768|0.00060149|-0.00008503|0.00052024|-0.00249292|-0.00490280|-0.00077111|-0.00242149|-0.00058167|-0.00071053|-0.00025576|0.00026030|0.00020425|0.00086519|0.00187400|0.00011083|-0.00189237|0.00102975|0.00161904|-0.01593154|0.01915251|-0.00311053|0.04733608|-0.13277867|0.00983693|0.04293100|-0.02368215|0.05396318|-0.02413293|-0.10310265|-0.02390908|0.06306672|0.67717465|0.00017670|0.00028207|0.00010015|-0.00000221|-0.00000013|-0.00032935|0.00020076|-0.00058264|-0.00008334|0.00010317|0.00000496|-0.00095369|0.00141765|0.00134389|0.00218149|0.00048129|0.00020010|0.00143851|0.00545067|-0.00120491|0.00179699|0.01034486|-0.01009917|-0.05234931|-0.03662684|0.03459507|-0.05782654|-0.04244406|-0.00547065|-0.20408176|0.07307637|-0.13719926|0.53738042|-0.00010394|-0.00030647|0.00005546|-0.00126394|-0.00066734|-0.00177976|-0.00292371|-0.00051169|-0.00006665|-0.01596533|0.00515248|0.01294605|-0.16976154|0.02178438|0.04629494|0.00716822|0.00175321|-0.00066972|-0.00148932|0.00512137|0.00645607|0.00057910|0.00296645|0.00267551|0.01465836|0.00794988|0.00548560|-0.14951236|-0.07820058|-0.03611868|-0.01372370|-0.00947258|-0.00567828|0.52779350|0.00001047|0.00009916|-0.00035749|0.00122967|-0.00276818|-0.00543453|0.00062941|-0.00156443|-0.00172317|-0.00403440|0.00015932|0.00444427|0.01110575|-0.09046752|-0.01107760|-0.01770416|0.00066077|0.00709793|0.03040849|-0.00260674|-0.01897101|0.00142940|0.00125096|0.00354556|-0.02642928|-0.04219339|-0.00303236|-0.04092305|-0.16566740|-0.01293606|-0.00438006|-0.00192019|-0.00890257|-0.07962899|0.63136712|-0.00109325|-0.00063659|0.00066044|0.00006921|-0.00041505|-0.00129364|-0.00542284|0.00298041|-0.00058820|-0.00477948|0.00397403|0.01558817|0.04391341|-0.01413278|-0.13447202|0.02254956|-0.01009574|-0.01556621|0.00761967|-0.00249081|-0.01350291|0.00031357|-0.00180452|-0.00211529|0.00787862|0.00392985|0.00012746|-0.00815616|0.00994392|-0.09949711|-0.03130901|-0.03566504|-0.00858042|0.07100205|-0.01383331|0.66655750|-0.17033378|-0.01108815|0.15326806|0.01672949|0.00043053|-0.01755827|-0.00893406|-0.00573315|0.01134642|0.00155240|0.00386424|0.00011030|0.00041120|-0.00008084|-0.00020800|0.00032960|-0.00015297|0.00012083|-0.00002394|-0.00170829|0.00084281|0.00010173|0.00010809|-0.00024340|-0.00149734|0.00002878|0.00074288|0.00001118|-0.00003870|-0.00000594|-0.00002714|-0.00014497|0.00004758|0.00014047|0.00002217|0.00014298|0.17838879|-0.00678567|-0.06152866|0.02184540|0.00367760|-0.00591975|-0.00392527|-0.02039227|-0.01040399|0.03642510|-0.00237974|0.00411583|0.00195847|-0.00007197|-0.00001774|-0.00017244|-0.00019586|0.00015164|0.00012807|0.00010212|0.00020665|0.00157983|0.00017146|-0.00009738|0.00004498|0.00002521|-0.00001364|0.00021343|0.00004110|-0.00004292|-0.00006740|0.00003086|0.00002905|0.00003534|0.00022199|0.00002687|0.00022742|0.01514438|0.06482988|0.15037329|0.02985066|-0.25559437|0.02088759|0.00227345|-0.01882214|-0.00591638|0.00242567|0.00029150|0.00081832|-0.00059275|0.00046693|-0.00076908|0.00079209|0.00051542|0.00025305|-0.00020917|0.00034859|0.00049335|-0.00235106|0.00112108|-0.00049560|0.00055046|-0.00038095|-0.00043219|0.00015862|-0.00161022|0.00038115|-0.00022001|0.00033365|-0.00017458|-0.00032846|-0.00001401|0.00022649|0.00039675|-0.00005500|-0.16546672|-0.03625968|0.26903955|-0.25898290|0.15720918|0.01747220|-0.01364212|0.00725529|0.00713504|0.01894664|-0.00911227|-0.00551346|0.00006847|-0.00243842|0.00255451|0.00076198|-0.00082264|-0.00023029|-0.00137993|-0.00001435|-0.00056620|0.00174850|0.00238091|-0.00273349|0.00016307|0.00028299|0.00031099|0.00029334|-0.00006094|0.00039584|-0.00015974|-0.00000185|-0.00008305|-0.00000217|-0.00001813|-0.00005715|0.00019335|-0.00010423|0.00005900|-0.01225562|0.01088847|-0.00084483|0.26311917|0.15049992|-0.16429739|-0.00738265|-0.00733027|0.00022260|0.00380501|0.02385521|-0.02600757|-0.00247893|0.00023434|-0.00194746|0.00632283|0.00070927|-0.00110582|-0.00113950|-0.00051008|0.00011987|-0.00028521|-0.00031610|0.00154498|-0.00133053|0.00004079|0.00001981|0.00014523|0.00006478|-0.00008819|0.00018846|0.00017471|0.00011947|-0.00009748|-0.00001951|0.00000807|-0.00006208|-0.00001530|-0.00003137|0.00043432|-0.00398940|0.00606551|-0.00071672|-0.16468591|0.18595104|0.01870139|-0.00757543|-0.06363750|-0.02589124|0.01778160|0.00593593|0.00342095|0.00544314|-0.00184802|-0.00132489|-0.00204591|-0.00052920|-0.00031619|0.00036122|0.00063233|-0.00192395|0.00023278|-0.00031025|0.00326327|0.00384501|-0.00387492|0.00025146|0.00022115|-0.00009195|-0.00035627|0.00017386|-0.00077615|0.00007294|-0.00014430|0.00022893|-0.00005769|-0.00017790|-0.00007230|0.00012508|0.00026175|-0.00025248|0.02107516|-0.01818211|0.00259754|-0.01732314|0.00243738|0.05882372|0.00023915|-0.00254301|-0.00802396|-0.11435671|0.04292564|0.11453337|0.00968404|-0.00904700|-0.01935363|-0.00241558|0.00096605|-0.00406453|-0.00606595|-0.00023511|0.00090642|0.00164490|-0.00222595|-0.00124708|-0.00791699|0.01047371|0.02873808|0.00041071|0.00161456|0.00022738|0.00019650|0.00016536|-0.00020097|0.00003942|-0.00025713|-0.00015736|-0.00026580|-0.00027905|-0.00004377|0.00077160|0.00169270|-0.00024530|-0.00037773|-0.00055117|-0.00035278|0.00130052|0.00075899|-0.00014166|0.11654835|-0.01677932|0.00625144|0.02005447|0.03885497|-0.07655408|-0.06999199|0.01421854|-0.00724502|-0.02153643|-0.00129907|0.00042477|-0.00537797|0.00108503|-0.00073104|-0.00178134|-0.00030916|0.00153609|-0.00032034|0.00323749|-0.00134475|-0.00768329|0.00052287|-0.00050547|0.00013759|0.00020407|-0.00005614|0.00025020|-0.00016255|0.00010907|0.00006113|0.00004111|0.00029022|-0.00008606|-0.00016094|-0.00092519|0.00000616|0.00318700|0.00148285|0.00402572|-0.00083927|-0.00011102|-0.00239224|-0.04268192|0.07962341|0.00959587|-0.00773075|-0.01711918|0.10903301|-0.07641426|-0.29045268|-0.00484647|-0.00544771|-0.00776656|-0.00074900|0.00222417|-0.00151617|-0.00158243|0.00106718|0.00121137|0.00058293|-0.00168307|0.00090701|-0.00146387|0.00321348|0.00548040|0.00064540|-0.00041153|-0.00029932|-0.00017520|0.00007176|-0.00022956|0.00010234|0.00007730|0.00014059|0.00013896|0.00008626|-0.00002617|0.00017662|0.00045674|0.00031120|-0.00256456|-0.00130303|-0.00181320|0.00035892|0.00101335|0.00127867|-0.11015690|0.08614802|0.30942945|0.00131157|-0.00335118|-0.00087532|-0.00468910|-0.00125353|0.00243131|0.00067549|0.00457739|0.02382176|-0.06263164|-0.00234959|-0.00493431|0.00284125|0.00765676|-0.03329862|-0.00628301|-0.00062160|-0.00192506|0.00036038|0.00021434|-0.00061047|0.00024626|0.00004175|-0.00010047|-0.00022024|-0.00003505|-0.00020776|0.00028269|-0.00009012|0.00023141|0.00004812|0.00018156|-0.00017369|0.00165392|0.00035958|-0.00152051|0.00066780|0.00025769|-0.00048149|-0.00014433|-0.00031597|0.00002316|0.00111112|0.00101191|0.00052723|0.06323012|0.00105312|0.00401924|-0.00218566|0.00361209|-0.00147422|-0.00468905|0.00071228|-0.00332001|-0.03064515|-0.00267112|-0.07122601|0.05274308|-0.00068835|0.00100765|-0.00341456|0.00009601|0.00082134|0.00034497|0.00101224|0.00001413|0.00110658|-0.00002475|0.00013855|-0.00021547|-0.00004162|0.00002777|-0.00004221|0.00019915|0.00003718|-0.00017011|-0.00006849|-0.00010354|0.00000540|0.00012638|0.00050959|0.00057775|-0.00046191|-0.00010560|0.00054306|0.00011060|0.00015663|0.00001107|-0.00117683|-0.00160495|-0.00075283|-0.00280544|0.07420693|-0.00015004|0.00215626|0.00223279|0.00375622|0.00156252|-0.00118534|0.00141777|-0.00454804|-0.01711590|-0.00310451|0.04501207|-0.33066037|0.00035316|0.00340334|-0.01142189|-0.00259270|-0.00020319|0.00063212|0.00053418|-0.00014592|-0.00040272|0.00019195|0.00015642|-0.00004007|-0.00029073|0.00003854|-0.00046545|-0.00025544|-0.00015109|0.00095105|0.00019294|0.00005434|-0.00023710|0.00133487|-0.00037248|-0.00085149|-0.00104560|-0.00147879|0.00063746|-0.00021192|-0.00021030|0.00057820|-0.00040491|-0.00116179|-0.00002008|0.00036862|-0.04664371|0.36096819|-0.00051598|0.00417290|0.00229629|-0.00037158|0.00245128|-0.00011647|0.00785522|0.02456978|-0.00351468|-0.10872571|-0.11231409|0.02337133|-0.01436260|-0.03125901|0.00277550|0.00258022|0.00225146|0.00274821|-0.00624513|-0.00064885|0.00129499|0.00072119|-0.00068913|-0.00171733|0.00015682|0.00024981|-0.00015758|-0.00106181|-0.00010119|0.00053544|0.00031434|-0.00002596|0.00013094|-0.00040809|-0.00094070|-0.00146706|-0.00038893|-0.00016505|-0.00015826|0.00039427|0.00073374|0.00029188|0.00012824|-0.00011715|-0.00003565|0.00189155|0.00039455|0.00017079|0.11847925|0.00178635|-0.00220347|-0.00333984|-0.00014532|-0.00233579|0.00060487|-0.00294245|-0.02607371|0.00254701|-0.10610741|-0.28200571|0.04957825|-0.00104619|0.00274647|0.00179818|-0.00033809|0.00068682|-0.00116614|0.00098038|0.00122423|0.00021782|-0.00021124|0.00042721|0.00007123|0.00017345|0.00005221|0.00006250|-0.00038598|0.00010053|0.00011575|-0.00000275|-0.00006638|0.00007989|-0.00039300|-0.00082480|-0.00060131|0.00048933|0.00047242|0.00020891|-0.00048262|-0.00098205|-0.00046291|-0.00005956|-0.00005898|-0.00005556|-0.00273332|-0.00314245|0.00294921|0.11148628|0.31187726|0.00066255|-0.00164742|-0.00102228|-0.00085811|-0.00135601|-0.00027738|-0.00443802|-0.01893270|0.00551701|0.02484713|0.05580901|-0.07674348|-0.00785361|-0.01261230|0.00260961|-0.00012737|-0.00031469|0.00225198|-0.00243416|-0.00184319|-0.00119669|0.00021085|-0.00040925|-0.00087797|-0.00010180|0.00019782|-0.00017924|-0.00039842|-0.00012209|0.00041545|0.00010863|-0.00003358|0.00004821|-0.00016758|-0.00065900|-0.00104687|-0.00036311|-0.00044374|0.00028324|-0.00031976|-0.00034530|0.00009457|0.00000211|-0.00015288|0.00019525|0.01656681|0.03406993|-0.00585370|-0.02543612|-0.05130089|0.07510316|0.00033697|0.00010496|0.00001567|-0.00037114|-0.00036375|-0.00040189|0.00052048|0.00020261|0.00019532|-0.00003086|-0.00036094|0.00028564|0.00181001|-0.00126096|0.00236919|-0.28971222|0.09539307|-0.11217445|0.00354286|-0.00025998|0.00190291|-0.00098172|0.00012310|-0.00047103|-0.00002322|0.00028009|-0.00020646|0.00009635|-0.00003319|-0.00009830|-0.00301264|-0.00155382|0.00083774|0.00081835|0.00015328|0.00022872|-0.00002223|0.00005615|-0.00013724|0.00001264|0.00005634|-0.00006557|0.00002589|-0.00009759|-0.00006856|0.00002997|0.00022053|-0.00010348|0.00013772|0.00023556|-0.00009225|0.30879677|0.00173757|-0.00172616|-0.00108112|-0.00210486|-0.00407187|0.00678469|-0.00024845|0.00111134|-0.00021386|0.00057404|0.00052988|-0.00337241|-0.01317448|0.00030767|-0.00184437|0.09138487|-0.08973447|0.05373805|0.03178790|-0.00554181|0.01186569|0.00115397|0.00159760|-0.00252327|0.00026712|0.00023933|-0.00027121|-0.00021359|0.00017500|-0.00060766|-0.00075506|-0.00079268|0.00103525|0.00091287|0.00067609|0.00176107|-0.00010186|-0.00000374|-0.00003279|0.00048089|0.00023913|0.00062702|0.00014861|-0.00003094|-0.00018747|-0.00098057|0.00018052|-0.00050469|0.00013998|0.00023715|0.00006205|-0.09831306|0.09032056|0.00027908|-0.00091521|0.00014401|0.00109618|-0.00155947|0.00110442|-0.00128067|-0.00010592|-0.00013080|0.00255269|0.00393698|-0.00476194|-0.02990282|0.01266848|-0.00968840|-0.10804538|0.05394732|-0.10893956|0.00558202|-0.00078039|-0.00351317|-0.00046897|0.00105905|0.00038551|-0.00011333|0.00016398|0.00011484|0.00038129|-0.00008429|-0.00003096|-0.00066264|0.00143741|-0.00078360|-0.00137392|-0.00147230|0.00316050|0.00001297|-0.00008624|0.00011208|0.00010140|-0.00002125|0.00025988|-0.00005327|0.00016332|0.00010189|-0.00174421|0.00000512|-0.00059432|0.00002237|-0.00028850|0.00012518|0.11815183|-0.05871485|0.11182949|0.00028412|0.00042367|-0.00016855|-0.00028487|0.00104866|-0.00143205|0.00062947|0.00051416|-0.00034933|0.00036662|0.00032718|-0.00104847|0.00313555|0.00112865|-0.00234701|-0.28694094|-0.08374714|0.11319537|0.00197349|0.00180143|-0.00169216|-0.00014771|0.00062157|-0.00012288|0.00001209|0.00004847|-0.00000780|0.00019866|-0.00007594|0.00022798|-0.00049686|0.00032420|-0.00056335|-0.00004121|0.00030399|-0.00043547|-0.00015161|0.00009974|-0.00008691|0.00004392|0.00005563|-0.00004077|0.00043904|-0.00032362|0.00031927|-0.00002776|0.00024666|0.00002725|0.00066617|-0.00012425|0.00043816|-0.01885352|-0.00939403|0.01260419|0.29860932|-0.00015262|0.00056719|-0.00027693|-0.00287730|0.00105454|-0.00250697|0.00098050|0.00033712|0.00070381|-0.00029637|0.00084468|0.00246695|0.01306342|0.00003633|-0.00287019|-0.07926864|-0.08277416|0.04884530|-0.03120721|-0.00885514|0.01330063|0.00191440|-0.00125503|0.00601940|-0.00190942|-0.00215183|-0.00022152|0.00035503|0.00021049|0.00032270|0.00125467|-0.00100071|0.00004320|-0.00123856|0.00064902|-0.00262207|-0.00004747|0.00005620|-0.00027392|-0.00005333|0.00005399|-0.00020479|0.00088027|-0.00046818|-0.00041571|0.00043741|-0.00019386|0.00016336|0.00003340|-0.00025845|0.00007732|0.01018218|0.00600503|-0.00770441|0.08809326|0.08613347|-0.00007935|0.00029436|0.00039203|0.00071445|0.00260748|0.00029638|-0.00062210|-0.00043204|0.00007779|0.00254214|-0.00133092|0.00169726|0.02926847|0.01142014|-0.01310810|0.10863914|0.04905334|-0.11126404|-0.00554003|-0.00033088|-0.00304807|-0.00045069|-0.00108644|0.00066646|-0.00005942|-0.00060256|-0.00002853|0.00144225|0.00045346|-0.00021839|-0.00048248|-0.00007558|-0.00051204|-0.00354574|0.00405726|-0.00285105|-0.00001334|-0.00017541|0.00007420|-0.00004371|-0.00006513|-0.00006431|-0.00036709|0.00009489|-0.00014882|0.00040604|-0.00055305|0.00044592|-0.00131783|-0.00081142|-0.00013380|-0.01260887|-0.00699652|0.00952305|-0.11932860|-0.05469719|0.11797783|-0.00042882|-0.00003205|-0.00024968|0.00177997|0.00051551|0.00003387|0.00028163|0.00067378|0.00012674|0.00056503|-0.00177164|0.00001493|-0.00504801|-0.00212011|0.00047097|0.00010236|0.00026691|-0.00050150|0.00307797|-0.02501397|-0.02037563|-0.06262894|-0.00053700|-0.00365102|-0.00239398|0.00414923|0.00030736|-0.00396400|0.00580590|0.00955172|0.00977183|0.01559508|0.01613200|-0.00200755|-0.00047631|0.00062635|0.00002373|-0.00001763|0.00001800|-0.00004446|0.00002322|-0.00003525|-0.00031763|0.00004981|0.00023972|-0.00012940|0.00003754|-0.00007135|-0.00059223|0.00007609|-0.00024406|0.00009199|-0.00018445|0.00043763|0.00001826|-0.00022791|-0.00007765|0.06094753|-0.00033152|0.00001069|-0.00013406|0.00066941|0.00031500|0.00034970|-0.00022562|0.00043534|0.00006589|0.00051463|-0.00110174|0.00018646|-0.00284311|0.00029128|0.00086306|-0.00004447|-0.00005035|-0.00011220|0.00172194|-0.01341758|-0.01140989|-0.00019334|-0.24421497|-0.13494070|0.00214126|0.00889277|0.00323476|0.00211209|0.00073438|-0.00430411|-0.00753215|-0.00907486|-0.00762278|-0.00018099|0.00133640|0.00068599|0.00001502|-0.00001484|0.00000779|-0.00006100|0.00003636|-0.00007342|-0.00066721|0.00003011|0.00005821|-0.00005962|0.00002899|-0.00004218|-0.00038950|0.00008574|-0.00013731|0.00008180|-0.00021503|0.00013588|-0.00010519|-0.00020264|-0.00007450|0.00356801|0.25545253|-0.00004810|0.00006397|-0.00035995|-0.00031765|-0.00048943|0.00045887|-0.00023326|0.00032294|0.00006249|0.00016229|0.00047375|0.00016333|0.00090297|0.00044832|0.00071643|-0.00052966|-0.00086124|0.00006108|-0.00154512|0.00495530|0.00512654|-0.00291446|-0.13439045|-0.17144224|-0.00467773|-0.02432176|-0.00395259|0.00649354|-0.00657948|-0.00461538|0.00265050|0.00484156|0.00107014|0.00142904|0.00102063|0.00028976|0.00002800|-0.00005541|0.00001476|-0.00007265|0.00000137|0.00003754|-0.00024414|-0.00005798|-0.00003244|0.00004828|0.00002316|0.00006363|0.00006694|0.00000831|0.00009022|-0.00008347|0.00006867|-0.00004513|-0.00000228|-0.00006045|0.00005891|-0.00220087|0.15407067|0.17256023|0.00016671|0.00023515|-0.00056730|0.00025276|-0.00020458|-0.00017800|-0.00025081|-0.00012964|0.00015096|0.00021002|0.00020386|-0.00008984|0.00044547|0.00130181|0.00027383|-0.00075581|0.00014644|0.00083593|0.00016052|-0.00174500|0.00233314|-0.00741273|-0.00615681|-0.00037786|-0.20275904|-0.14521757|0.03186752|0.01706536|0.01534612|-0.00364938|-0.00007578|0.00176239|-0.00060521|-0.00155368|0.00331315|-0.00174681|-0.00010369|-0.00013866|0.00037045|-0.00018645|-0.00002967|0.00015638|-0.00006917|-0.00001716|0.00006582|0.00002142|0.00002099|0.00003481|-0.00005864|-0.00004523|0.00004848|0.00004941|-0.00011276|0.00006304|0.00003864|-0.00036343|0.00005326|0.00032437|0.00047084|0.00030628|0.21025933|-0.00001210|-0.00005842|0.00002929|0.00004230|-0.00004642|0.00008933|-0.00011832|0.00015518|0.00003659|0.00011446|0.00000273|0.00019940|0.00042103|-0.00036930|-0.00057973|0.00015203|0.00026503|-0.00027382|0.00040562|0.00105095|-0.00060019|0.00168198|0.00322744|-0.00010356|-0.13757079|-0.19421774|0.03776110|-0.02010578|-0.03053852|0.00100360|-0.00150992|-0.00057437|-0.00120041|0.00468811|-0.00409003|0.00402323|-0.00001066|-0.00001508|-0.00003008|-0.00001101|0.00002727|-0.00002480|-0.00005727|0.00002800|0.00000312|0.00002004|0.00000367|0.00000487|-0.00002703|-0.00001666|-0.00001109|0.00002556|-0.00006401|-0.00002201|0.00002466|0.00014078|0.00005760|-0.00010665|0.00013668|0.00103203|0.15043863|0.22054594|0.00003683|0.00010483|-0.00048124|-0.00022863|0.00052440|-0.00006526|0.00010737|-0.00013823|0.00012508|-0.00013206|0.00010492|-0.00016694|-0.00051843|-0.00029068|0.00075808|0.00227787|-0.00018505|-0.00080009|-0.00111741|0.00305298|-0.00734904|0.02515600|0.02409276|-0.00171201|0.03029389|0.03916155|-0.07406180|-0.00645982|-0.00478524|0.00296841|0.00176992|-0.00032382|0.00037353|0.00180739|-0.00159969|-0.00019577|-0.00003988|-0.00009017|0.00037250|-0.00006193|-0.00003845|0.00022512|0.00004531|-0.00006877|0.00003672|0.00010428|0.00000252|0.00014773|0.00002652|-0.00003093|0.00002920|-0.00009759|-0.00013801|-0.00007714|0.00001592|0.00084149|0.00020746|0.00003977|-0.00149427|0.00158051|-0.03523691|-0.04055061|0.07093943|-0.00162322|0.00026056|-0.00080880|0.00025177|0.00026163|0.00001649|0.00005090|-0.00005542|0.00024813|0.00003580|-0.00010626|-0.00028221|0.00053919|0.00021348|0.00041263|0.00013863|0.00002893|-0.00016251|0.00077229|0.00001843|-0.00060421|0.01097878|-0.00088701|0.00548265|-0.23312822|0.01899977|-0.14238573|-0.01051812|-0.00051225|-0.00927784|-0.00068119|0.00304598|0.00130160|0.00033144|-0.00233443|-0.00082570|-0.00429192|-0.00005895|0.00158709|-0.00016460|-0.00004166|0.00021603|0.00004486|0.00001145|-0.00000780|0.00004361|-0.00006613|0.00008487|0.00000363|0.00000643|0.00003510|0.00008925|-0.00005626|0.00005296|0.00004455|0.00009014|0.00006695|-0.00001134|0.00003016|0.00035886|-0.01714292|0.00166383|-0.01628026|0.25272480|0.00016164|-0.00005781|0.00019065|-0.00020288|0.00006495|0.00010701|-0.00008858|-0.00012305|-0.00001880|-0.00027256|-0.00002847|0.00042079|-0.00026200|-0.00043110|0.00014510|0.00001936|0.00017114|-0.00002445|-0.00001391|0.00017670|0.00108291|-0.00249483|-0.00177797|0.00192324|0.01308922|-0.06725181|0.00781847|0.02512210|-0.00062233|0.02294902|0.00203601|-0.00542646|0.00076973|0.00117050|0.00296974|0.00149008|0.00031007|0.00078287|-0.00014977|0.00009812|0.00001090|-0.00008094|0.00000407|-0.00000604|-0.00001453|-0.00012129|-0.00008052|-0.00013431|0.00002857|0.00000955|-0.00009218|0.00007791|0.00005517|-0.00011423|-0.00002423|0.00002605|-0.00002619|-0.00014443|0.00021499|-0.00032894|-0.01961008|0.00519842|-0.01763795|-0.02015784|0.06498082|0.00023970|0.00024606|-0.00120375|0.00034251|0.00090700|-0.00056600|-0.00018507|-0.00059912|0.00032120|-0.00004594|0.00059915|-0.00004641|0.00063247|0.00084452|0.00058631|-0.00011865|-0.00034739|0.00048367|-0.00146477|-0.00255496|0.00137139|-0.02517979|0.00097211|-0.01085100|-0.14277224|0.01361406|-0.18563336|0.00491328|0.00271511|0.00307422|0.00089191|0.00323098|-0.00570280|-0.00116119|0.00020217|0.00071194|-0.00021813|-0.00006971|0.00186244|-0.00031792|-0.00012866|0.00048103|-0.00001439|-0.00017898|0.00016894|0.00008977|-0.00001625|0.00013720|0.00006678|-0.00008750|0.00006114|0.00003510|-0.00023863|0.00013675|0.00007188|-0.00004695|0.00012980|-0.00022134|0.00074889|-0.00226158|0.00521983|-0.00140761|0.00675670|0.16044496|-0.01979127|0.18893054|0.00021722|-0.00000147|-0.00004159|0.00005585|0.00016896|0.00029485|0.00004345|-0.00023521|0.00000314|-0.00019978|-0.00014420|0.00010469|-0.00006698|0.00041570|-0.00010468|-0.00251884|-0.00072841|0.00031817|0.00240766|-0.00058889|-0.00019315|0.00526101|0.01762008|-0.01600355|-0.00480120|0.00226660|-0.00257220|-0.00224002|0.00349177|-0.00392378|-0.06444737|0.01531899|-0.00885056|0.00120336|0.00076627|-0.00067467|0.00002577|-0.00000577|0.00008249|0.00001411|-0.00000935|0.00006643|0.00003861|-0.00000716|-0.00000879|0.00010738|-0.00001365|0.00007156|-0.00001302|-0.00001304|-0.00001264|-0.00388492|-0.00260304|0.00126173|0.00031725|0.00001861|0.00026749|-0.00121843|0.00104031|-0.00030835|0.00021452|0.00045950|-0.00028043|0.00056239|0.00081878|-0.00186531|0.06404021|-0.00018472|0.00002188|-0.00001636|-0.00007089|0.00013108|-0.00001415|0.00026296|0.00024692|0.00003920|0.00006889|0.00003373|-0.00014318|0.00035902|-0.00021893|0.00025112|-0.00141822|-0.00098322|0.00125566|-0.00171928|-0.00065172|0.00046999|-0.00449839|-0.00960491|0.00899200|0.00352202|-0.00136992|0.00029727|0.00072255|0.01158431|-0.00558454|0.01803352|-0.26398677|0.13635297|-0.00009920|0.00087791|0.00041775|-0.00000728|0.00000151|-0.00008368|0.00000940|0.00000843|-0.00003794|0.00001758|-0.00003025|-0.00001560|-0.00007585|0.00000575|-0.00004925|0.00004599|0.00004371|0.00002668|-0.00434978|0.00038712|-0.00005603|-0.00064169|0.00057670|-0.00035200|0.00116834|-0.00105684|0.00058308|-0.00013658|0.00034489|-0.00037832|-0.00062684|0.00074723|0.00120207|-0.01189266|0.27687545|0.00008227|-0.00000461|-0.00008246|-0.00008080|-0.00016911|-0.00003053|-0.00018047|-0.00009946|0.00000834|-0.00005772|0.00004336|0.00014061|-0.00063080|-0.00031392|-0.00023310|0.00054022|0.00095934|-0.00070186|-0.00045561|0.00118224|0.00000574|-0.00493320|-0.00618067|0.00525105|-0.00183665|-0.00175716|-0.00590325|-0.00145277|0.03037974|-0.01607946|-0.01065121|0.12787708|-0.15915741|0.00112825|0.00327074|0.00275032|0.00001481|-0.00000627|0.00007824|-0.00001966|-0.00000899|0.00005334|-0.00000709|0.00000073|0.00001781|0.00005800|0.00001247|0.00004703|-0.00002411|-0.00003489|-0.00000631|0.00284298|0.00058919|0.00106020|0.00040484|-0.00032446|0.00026184|0.00035327|-0.00032652|0.00011619|0.00033511|0.00026463|0.00014589|-0.00091779|0.00231514|0.00046764|0.01383301|-0.15446438|0.16733500|0.00021089|-0.00001078|0.00018019|-0.00029754|-0.00161994|-0.00044184|-0.00088127|-0.00015628|-0.00014860|-0.00002466|0.00015867|0.00018515|0.00036668|0.00023955|0.00001381|0.00003486|0.00054637|0.00013181|-0.00301534|0.00578450|-0.00064695|-0.02367145|-0.01752417|-0.00015777|0.00002974|-0.00146384|0.00191826|0.00309039|-0.00252564|-0.00597768|-0.26500095|-0.12878432|-0.01759712|0.00058916|0.00188854|0.00007931|0.00000638|0.00002706|-0.00006804|-0.00006415|0.00001889|-0.00007278|-0.00017151|0.00008443|0.00004023|0.00000123|-0.00000830|-0.00005387|-0.00005860|-0.00005415|-0.00001264|0.00014193|-0.00002007|0.00001851|-0.00000543|-0.00017842|-0.00001516|0.00126023|0.00017324|0.00097464|0.00041329|0.00070640|-0.00083941|0.00040008|0.00059509|-0.00003418|0.00482361|0.00094185|0.00126532|0.28182204|-0.00020140|0.00002134|-0.00018172|0.00043934|0.00106841|0.00018858|0.00053402|0.00032516|0.00022997|0.00019346|-0.00000820|-0.00008910|0.00048731|-0.00019936|-0.00005175|-0.00009276|-0.00071882|0.00034474|0.00324761|-0.00373083|0.00148625|0.01947099|0.01407045|0.00163942|0.00095255|0.00006823|0.00009517|-0.00818411|-0.00635838|-0.00372000|-0.12937471|-0.14721664|-0.00452076|0.00022266|0.00114876|-0.00271939|-0.00001750|-0.00000996|0.00004605|-0.00000271|0.00001359|0.00001821|0.00004222|-0.00004010|-0.00001315|-0.00002431|0.00001292|0.00003112|0.00001407|0.00001226|0.00003400|-0.00047662|0.00040845|-0.00051466|-0.00033315|0.00029819|-0.00013449|-0.00146131|0.00127811|-0.00064011|0.00009285|0.00019972|0.00038902|-0.00026938|0.00024081|-0.00025290|-0.02580546|-0.01471116|-0.00185861|0.14135672|0.15401166|-0.00007769|-0.00006718|-0.00006649|0.00018389|0.00049249|0.00018920|0.00024754|0.00014821|0.00014125|-0.00005868|-0.00006936|0.00009417|-0.00020359|-0.00027690|-0.00025866|0.00009745|-0.00006319|-0.00054833|0.00169155|-0.00110944|-0.00017746|0.00720661|0.00588736|0.00086544|-0.00121848|-0.00156798|-0.00049451|-0.03361022|-0.02664190|-0.00762181|-0.01063786|-0.00053854|-0.05732014|-0.00225799|0.00319775|-0.00712008|-0.00000600|-0.00002088|0.00001810|0.00002508|0.00001281|0.00002827|0.00004938|-0.00000651|-0.00000557|0.00007624|0.00000186|0.00011895|-0.00001207|-0.00001825|-0.00000407|0.00025106|-0.00033535|0.00032986|0.00026558|-0.00002410|0.00025082|-0.00061913|0.00029912|0.00010738|-0.00027712|0.00069456|-0.00014933|0.00037158|0.00016345|0.00012718|0.01835228|0.01123869|0.00425937|0.02127134|0.01038782|0.06738963|0.00002197|0.00012680|0.00002997|0.00042493|0.00022470|0.00055725|0.00025274|-0.00042518|-0.00024881|0.00111748|-0.00044058|0.00143829|0.00742975|-0.00041295|0.02988120|-0.00406291|0.00144751|0.00193477|-0.00106557|-0.00058640|0.00140755|-0.00046230|-0.00024483|-0.00042355|0.00053562|0.00149589|-0.00018742|-0.01261476|-0.00381276|-0.02960794|-0.00303506|-0.00423633|0.00188343|-0.07463327|0.00279069|-0.06565266|-0.00000046|0.00004031|-0.00004364|-0.00001156|-0.00003452|-0.00004732|-0.00018607|0.00006825|-0.00011054|-0.00051420|0.00013613|-0.00038029|-0.00010657|0.00002651|-0.00006670|-0.00002022|-0.00042570|-0.00027407|0.00006444|0.00064903|0.00107028|0.00037789|-0.00006347|-0.00003086|0.00003781|0.00010645|-0.00002959|0.00051020|-0.00019321|0.00039988|-0.00002440|0.00019393|0.00039941|-0.00009491|-0.00079537|-0.00148059|0.08992344|0.00000429|-0.00000728|-0.00011330|-0.00006038|0.00004606|-0.00020843|-0.00017621|0.00003872|0.00006464|-0.00027200|0.00082919|0.00019985|-0.00071306|0.00139934|-0.00610280|0.00047827|0.00031964|0.00048556|-0.00010712|-0.00071487|0.00025639|0.00033300|0.00053196|-0.00054164|-0.00014359|0.00223917|-0.00127021|-0.01450449|-0.00324623|-0.03211692|-0.00434088|-0.00469860|0.00050924|0.00647263|-0.06199973|0.00671829|0.00001393|-0.00004900|0.00001749|-0.00001573|0.00000330|0.00002070|0.00004468|-0.00003097|0.00002715|0.00011564|0.00011036|0.00007129|-0.00001298|-0.00009641|0.00011602|-0.00018019|-0.00008094|-0.00030362|-0.00013401|0.00002112|-0.00015798|0.00005496|0.00000169|0.00010031|-0.00017566|0.00039277|0.00008460|0.00053691|-0.00021090|0.00031819|-0.00008993|0.00020314|-0.00012504|-0.00009188|-0.00050354|-0.00171487|0.00466491|0.06272742|0.00010037|-0.00020527|-0.00023296|-0.00046112|0.00007709|-0.00021841|0.00002763|0.00013781|0.00057926|-0.00175956|0.00022120|-0.00031548|-0.00464828|0.00193153|-0.01992564|0.00323169|-0.00114026|-0.00010082|0.00053580|0.00026356|-0.00113489|0.00045750|0.00011770|0.00072308|-0.00042868|0.00041608|-0.00053274|-0.00395601|-0.00239701|-0.00262415|-0.00107176|-0.00027559|0.00273984|-0.06849969|-0.00000996|-0.32649311|0.00000050|-0.00008516|0.00006519|0.00001458|0.00000523|0.00011357|0.00023377|0.00002519|0.00011586|0.00092366|-0.00014746|0.00154125|0.00007985|-0.00006467|0.00033547|0.00004104|0.00034477|0.00053429|0.00006167|-0.00064123|-0.00085309|0.00000048|-0.00007746|-0.00002544|0.00029935|-0.00020528|0.00032123|0.00060303|-0.00068455|0.00036649|0.00020708|0.00003458|0.00017035|-0.00002828|-0.00029369|-0.00037660|0.07609532|0.00129841|0.35091150|0.00000624|-0.00016220|0.00005508|-0.00003547|0.00021410|0.00125840|-0.00120388|0.00053420|0.00049764|0.00000569|0.00119584|0.00164723|-0.01315393|0.02554025|-0.00292417|0.00203540|-0.00228271|-0.00199567|-0.00430227|-0.00006548|-0.00139491|-0.00010639|-0.00075459|-0.00001872|-0.00391867|-0.00365126|-0.00107412|0.01213056|-0.02993801|0.00706239|0.00135226|0.00061350|0.00105749|-0.12251320|0.12085205|-0.03115353|0.00001992|-0.00002139|-0.00006354|-0.00002196|0.00007190|-0.00006741|-0.00047980|0.00021801|-0.00005655|0.00011581|0.00004832|0.00012587|-0.00041975|-0.00017578|0.00000653|0.00041208|0.00010042|0.00130139|0.00010832|-0.00013162|0.00008159|0.00016200|0.00015847|-0.00021275|0.00070909|-0.00142105|-0.00035873|0.00003935|0.00005441|0.00025086|0.00008257|0.00037533|-0.00000960|0.00009528|-0.00001499|0.00036984|-0.00386401|0.00829889|-0.00205993|0.13274477|-0.00004587|0.00005936|0.00004605|-0.00002073|0.00027268|-0.00011356|0.00046044|-0.00001723|0.00002034|-0.00009830|-0.00090005|-0.00086705|0.00291603|0.00020168|0.00122351|-0.00010303|0.00073703|-0.00061320|0.00012359|0.00105257|0.00048826|0.00010922|0.00006658|0.00014039|-0.00677545|-0.00137411|-0.00038100|0.00883322|-0.03199269|0.00748620|0.00170579|0.00017562|0.00169433|0.11233275|-0.26667276|0.04784635|-0.00003038|0.00000101|-0.00004863|0.00000854|-0.00003012|-0.00003219|0.00004680|-0.00003284|-0.00000152|-0.00005663|-0.00003007|0.00004241|0.00011883|0.00008930|0.00002082|0.00005673|-0.00020840|-0.00077418|-0.00015867|0.00014909|-0.00013622|0.00010911|0.00006778|-0.00022880|0.00075062|-0.00172893|-0.00060888|0.00000473|0.00036712|0.00011962|-0.00024734|0.00052394|-0.00122056|-0.00008355|0.00031893|-0.00006967|-0.00029981|0.00277458|0.00135442|-0.11965662|0.29612991|0.00013292|0.00004730|-0.00019401|0.00018510|-0.00042609|-0.00086028|0.00059923|-0.00042587|-0.00006137|-0.00021019|-0.00079289|-0.00147004|0.01241837|-0.01941962|0.00299212|-0.00073088|0.00040666|0.00276684|0.00349406|-0.00108898|-0.00071411|0.00063997|0.00058742|0.00053446|-0.00076815|-0.00171569|0.00036473|0.00164205|-0.00570821|0.00208717|0.00077402|-0.00066310|0.00090068|-0.02982422|0.05242999|-0.07567565|-0.00002037|-0.00003632|0.00005744|-0.00002841|-0.00005480|0.00008846|0.00034300|-0.00017086|0.00003460|0.00019535|0.00002851|0.00034694|0.00007936|0.00002088|0.00018210|-0.00054806|0.00018577|-0.00035690|-0.00000647|0.00010673|0.00017048|-0.00010532|0.00004297|0.00015673|0.00031424|-0.00019014|0.00007102|0.00026992|-0.00027748|0.00009033|-0.00002321|0.00003438|0.00002541|0.00001574|0.00009997|0.00022344|-0.01651338|0.03236668|-0.00568405|0.02767533|-0.05538722|0.07392348| 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| 153.4997 206.6596 275.4302 344.5337 415.8213 440.1668 456.8948 476.1886 492.5374 526.4898 581.7260 642.7113 721.1150 774.7840 833.3868 871.5575 900.6703 910.7938 949.1155 971.8324 996.8099 1010.3340 1014.1210 1023.2145 1048.5408 1062.2406 1102.5498 1118.8507 1125.7186 1150.6173 1180.0523 1189.5168 1195.9812 1209.5500 1232.0318 1255.8885 1281.7855 1303.0588 1326.3433 1344.2525 1355.0558 1371.2309 1393.0731 1398.0500 1400.0378 1427.9586 1452.8794 1472.7403 1498.8983 1513.1925 1527.8849 1550.8749 1640.7015 1646.6721 1654.8941 1670.0284 1676.2723 1696.6883 3214.0895 3224.3429 3243.0562 3243.1590 3257.4592 3262.1135 3262.5414 3304.5491 3306.9482 3319.3526 3321.4138 3326.3560 3394.3795 3409.5510 2.5961 3.9723 2.8653 2.8476 2.1042 2.3797 2.4070 3.3652 2.8190 2.7219 2.9419 2.4440 3.7398 2.6463 3.6964 3.2354 3.0009 1.8731 4.4662 2.3652 2.3321 2.2329 2.1532 2.7015 2.1542 1.6761 1.7345 1.9298 1.7588 2.1347 2.1402 1.3794 1.4731 1.6270 1.4196 1.4431 1.5368 2.2111 2.0579 1.6176 1.7309 1.6190 1.6185 1.5117 1.6528 1.2750 1.5703 1.6571 2.0316 1.7971 1.6659 2.5637 1.1034 1.1720 1.2033 1.1346 1.1797 1.1169 1.0631 1.0612 1.0676 1.0743 1.1052 1.0800 1.1072 1.0781 1.0860 1.0871 1.0757 1.0862 1.1163 1.1099 0.0360 0.1000 0.1281 0.1992 0.2144 0.2716 0.2961 0.4496 0.4029 0.4445 0.5866 0.5948 1.1458 0.9359 1.5126 1.4480 1.4343 0.9155 2.3704 1.3161 1.3653 1.3429 1.3047 1.6665 1.3954 1.1143 1.2423 1.4233 1.3132 1.6652 1.7559 1.1500 1.2415 1.4024 1.2696 1.3410 1.4876 2.2120 2.1330 1.7222 1.8725 1.7936 1.8506 1.7408 1.9087 1.5317 1.9529 2.1176 2.6892 2.4244 2.2912 3.6331 1.7500 1.8724 1.9416 1.8645 1.9531 1.8944 6.4703 6.5001 6.6155 6.6575 6.9097 6.7710 6.9435 6.9362 6.9971 7.0570 6.9920 7.0811 7.5779 7.6019 0.3558 2.2558 0.3534 2.0272 1.3000 0.9463 0.8779 0.2323 0.8743 0.4897 3.4600 0.3629 8.8132 16.3880 16.7920 5.0435 17.7004 1.2043 3.7069 0.5982 3.8671 8.4757 10.7331 1.5971 8.1432 4.8005 8.5737 0.4758 9.1433 7.8123 28.8933 3.4034 8.3659 0.5260 5.3283 1.2403 3.4984 16.2544 1.1745 1.5379 4.9338 5.8141 18.4105 6.0988 23.9011 2.9092 3.9717 0.9050 2.2387 12.8394 2.5855 0.4922 0.7842 2.4225 2.6888 0.7056 6.1470 1.7017 15.6990 122.2150 43.1082 40.3663 21.8275 85.6141 54.5455 13.0713 13.8127 46.7521 51.5741 41.1610 25.0926 18.1445 0.2858 0.7046 0.7010 0.9031 1.8715 2.0915 1.1490 0.5297 2.6813 0.8131 3.0505 3.0695 7.5846 3.2811 6.2090 15.9439 7.2404 5.7452 4.0568 10.1073 6.1398 8.3565 5.2717 2.3606 6.7902 4.9194 3.0654 3.3735 5.7422 8.0630 3.2637 2.0656 1.7906 8.5491 0.9096 0.6444 2.8246 1.1129 3.5181 6.7328 3.6379 7.9625 4.9599 2.2710 6.1014 5.1831 1.8634 1.1496 6.3175 5.8791 5.2668 5.5456 12.2901 9.7767 5.1299 9.7052 4.9754 9.8770 27.9344 132.0188 47.8584 83.9879 50.5707 247.6912 103.3715 44.7501 57.9125 79.8397 68.0324 201.2610 49.7253 56.9746 0.7481 0.5684 0.7496 0.6909 0.3064 0.4382 0.5841 0.7490 0.0957 0.7234 0.7263 0.2156 0.0712 0.3094 0.5820 0.4088 0.5621 0.6607 0.7358 0.3295 0.6513 0.4068 0.5889 0.6912 0.2114 0.4960 0.6028 0.4164 0.6041 0.3912 0.5927 0.3250 0.7436 0.3928 0.4216 0.6832 0.3417 0.2892 0.7278 0.7496 0.7261 0.5399 0.6325 0.3631 0.3637 0.6957 0.4086 0.6939 0.3140 0.3658 0.5741 0.2326 0.7070 0.7459 0.6181 0.6881 0.7343 0.5990 0.3823 0.1086 0.6227 0.5791 0.6408 0.1104 0.6959 0.3743 0.3493 0.6728 0.2487 0.1218 0.6869 0.5936 0.8559 0.7248 0.8568 0.8172 0.4690 0.6093 0.7374 0.8565 0.1747 0.8395 0.8414 0.3547 0.1329 0.4726 0.7358 0.5803 0.7197 0.7957 0.8478 0.4956 0.7888 0.5783 0.7413 0.8174 0.3490 0.6631 0.7522 0.5880 0.7532 0.5624 0.7443 0.4906 0.8530 0.5641 0.5932 0.8118 0.5093 0.4487 0.8425 0.8569 0.8413 0.7012 0.7749 0.5327 0.5335 0.8206 0.5802 0.8193 0.4780 0.5357 0.7295 0.3774 0.8284 0.8545 0.7639 0.8153 0.8468 0.7492 0.5531 0.1960 0.7675 0.7335 0.7811 0.1988 0.8207 0.5447 0.5177 0.8044 0.3983 0.2171 0.8144 0.7450 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 7 6 6 6 6 6 6 7 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 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 944.54772 1917.59175 2062.52729 0.99989 -0.00017 -0.01462 -0.00053 0.99885 -0.04792 0.01461 0.04792 0.99874 1 0.09170 0.04517 0.04199 1.91069 0.94115 0.87501 220.85 297.34 396.28 495.71 598.27 633.30 657.37 685.13 708.65 757.50 836.97 924.72 1037.52 1114.74 1199.06 1253.98 1295.86 1310.43 1365.57 1398.25 1434.19 1453.65 1459.09 1472.18 1508.62 1528.33 1586.32 1609.78 1619.66 1655.48 1697.83 1711.45 1720.75 1740.27 1772.62 1806.94 1844.20 1874.81 1908.31 1934.08 1949.62 1972.90 2004.32 2011.48 2014.34 2054.51 2090.37 2118.94 2156.58 2177.15 2198.29 2231.36 2360.60 2369.19 2381.02 2402.80 2411.78 2441.16 4624.36 4639.11 4666.03 4666.18 4686.76 4693.45 4694.07 4754.51 4757.96 4775.81 4778.77 4785.88 4883.76 4905.58 0.247304 0.254986 0.255930 0.214919 -495.337885 -495.330202 -495.329258 -495.370269 1.375516D-04 MUNgauss RevisionA2.1 retrievium 09-Apr-2022 GDB_13 Smiles: C1C2N1CC13CC21C1CN(C1)C3 RHF 6-31G(d) (6D,10F) C1 162.115699 |X|Y|Z| 19.548640 17.363068 30.119277 21.703471 12 6 7 10 2 |36.858105| |12.944649|36.858105| |13.156619|13.039828|53.358707| |7.778243|7.973697|17.580149|36.858105| |6.330996|7.915351|10.728993|12.456358|36.858105| |5.195549|7.660215|8.936350|7.522225|12.652272|36.858105| |7.390803|12.661724|10.718875|7.798561|12.717377|12.687949|36.858105| |5.546854|7.144911|6.900062|5.136529|7.517705|7.198531|12.506581|36.858105| |5.363558|5.607630|6.306485|5.020927|6.774170|5.276614|7.690858|12.297447|36.858105| |4.293171|4.692058|5.688564|5.011846|7.552363|5.774771|6.867001|8.951880|12.828297|53.358707| |4.013664|4.815121|5.382731|4.389367|6.634056|6.510938|7.561097|12.341716|9.374722|17.483784|36.858105| |4.681131|5.125027|6.852178|7.090742|12.393077|7.193258|7.432939|6.869575|7.859181|17.632740|7.837941|36.858105| |17.723145|8.618773|11.944815|7.360418|6.369488|4.777425|6.831286|5.763953|6.453103|6.629118|4.239413|5.198368|0.500000| |17.699419|8.622223|12.130478|5.669706|4.688325|4.144105|5.396494|4.419627|4.282787|4.752117|3.335025|3.704769|0.293175|0.500000| |8.632315|17.676364|12.012886|5.787349|5.759203|6.458511|8.568035|5.876814|4.501122|5.263737|4.175880|4.084102|0.170347|0.209574|0.500000| |7.232794|6.178500|12.280995|17.543937|8.744349|5.478860|6.030419|4.583329|4.981759|6.672723|4.016090|6.801254|0.220603|0.152169|0.130084|0.500000| |5.687752|6.032015|12.428146|17.579086|8.730908|6.773185|5.920513|4.161903|3.990619|5.676734|3.777595|5.814713|0.146415|0.128109|0.136652|0.302531|0.500000| |4.087832|5.522938|6.528693|5.474180|8.515936|17.759425|8.490670|6.616010|4.873212|7.849464|7.209481|6.676810|0.108175|0.094459|0.138691|0.121752|0.144120|0.500000| |5.009167|7.356462|9.423285|7.214880|8.605057|17.686982|8.623653|5.366743|4.183514|5.969330|4.783146|5.364412|0.121516|0.115274|0.189475|0.142642|0.202758|0.294596|0.500000| |5.069184|6.477740|6.077022|4.210088|5.460813|5.710375|8.676858|17.569159|8.308806|8.345283|8.368764|4.938646|0.140643|0.119220|0.165236|0.105519|0.098112|0.149853|0.129464|0.500000| |4.366283|4.442606|5.084653|3.920300|4.901197|4.150936|5.538732|8.617516|17.576289|12.294825|7.689682|5.699262|0.143111|0.102981|0.105328|0.109882|0.090443|0.110898|0.095333|0.204986|0.500000| |6.534569|5.955944|7.133820|5.657967|6.760168|4.875534|7.083754|8.342367|17.631771|11.893891|6.319951|7.304491|0.252364|0.140363|0.127735|0.167184|0.119904|0.119258|0.112237|0.178173|0.300270|0.500000| |3.610276|4.441115|5.118221|4.240129|6.419509|7.258287|6.809238|8.304822|6.295148|11.856763|17.636745|7.201518|0.102406|0.084486|0.110287|0.104855|0.105994|0.267736|0.145910|0.179036|0.148908|0.135173|0.500000| |3.434987|3.955858|4.483562|3.544636|4.840690|4.809857|5.496198|8.705136|7.748518|12.320135|17.577114|5.687084|0.101320|0.082051|0.099002|0.092717|0.086555|0.147656|0.105938|0.208149|0.218723|0.149708|0.301744|0.500000| |4.607121|4.581685|6.574983|6.963342|8.842229|5.402328|5.790969|5.400257|6.888494|12.544900|5.694887|17.559934|0.149543|0.102579|0.101892|0.218556|0.158709|0.136629|0.123016|0.115336|0.146889|0.205149|0.143417|0.127497|0.500000| |3.786981|4.206984|5.710854|5.732235|8.726655|6.586754|5.796751|5.424896|5.695690|12.486508|6.888393|17.564217|0.112409|0.086682|0.098142|0.150149|0.146268|0.190747|0.141437|0.115861|0.127225|0.144494|0.203897|0.146105|0.303640|0.500000| 495.330659 -2686.124869 1000.207891 -70.354587 -1260.940905 765.355717 -495.585187 2.000514 40A51FFFFFFFFFF8 419675C17FFFFFF4 413055A3FFFFFFF7 41441BAFFFFFFFFF 406A000000000000 41DCAE272EFFFFFE