Version2.5 2022-11-15T22:01:44Z 10.1021/ja902302h Gaussian16 RevisionB.01 SBUNGAY 06-Nov-2022 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) GDB_13 Smiles: CC1=C2N3CC(C)(C3)CC2=NN1 RHF 6-31G(d) (6D,7F) CC1=C2N3CC(C)(C3)CC2=NN1 C1[X(C9H13N3)] 69 C1 206 CC1=C2N3CC(C)(C3)CC2=NN1 Cc1[nH]nc2c1N1CC(C1)(C2)C Cc1[nH]nc2CC3(C)CN(C3)c12 InChIKey=QVJCXSAOJMOQOL-UHFFFAOYSA-N InChI=1S/C9H13N3/c1-6-8-7(11-10-6)3-9(2)4-12(8)5-9/h3-5H2,1-2H3,(H,10,11) InChI=1/C9H13N3/c1-6-8-7(11-10-6)3-9(2)4-12(8)5-9/h3-5H2,1-2H3,(H,10,11)/f/h10H CC1=C2N3CC(C)(C3)CC2=NN1 C01[X(C9H13N3)] 69 C1 206 CC1=C2N3CC(C)(C3)CC2=NN1 C[C@@H]1NN[C@@H]2[C@H]1[N@@]1C[C@](C2)(C1)C C[C@@H]1NN[C@H]2CC3(C)CN(C3)[C@@H]12 InChIKey=CXNKPUXEADUZHW-FXQIFTODSA-N InChI=1S/C9H17N3/c1-6-8-7(11-10-6)3-9(2)4-12(8)5-9/h6-8,10-11H,3-5H2,1-2H3/t6-,7-,8-/m0/s1 InChI=1/C9H17N3/c1-6-8-7(11-10-6)3-9(2)4-12(8)5-9/h6-8,10-11H,3-5H2,1-2H3/t6-,7-,8-/m0/s1 5.112603534666D+02 -2.660152025828D+03 732.9738040735 -511.6534999 1-A 1950.0762 44 162 206 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -15.62059 -15.57033 -15.55110 -11.26516 -11.24534 -11.24530 -11.23901 -11.23518 -11.23148 -11.22703 -11.22246 -11.21614 -1.37157 -1.26896 -1.11389 -1.06574 -1.04901 -0.96026 -0.94889 -0.91727 -0.89002 -0.77959 -0.77072 -0.72331 -0.69106 -0.65242 -0.62987 -0.61639 -0.61065 -0.58353 -0.57866 -0.56268 -0.55320 -0.55239 -0.53877 -0.52273 -0.50585 -0.50364 -0.46335 -0.44585 -0.43358 -0.35247 -0.33973 -0.31628 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.18127 0.22586 0.23598 0.24837 0.25827 0.27459 0.28260 0.29377 0.30516 0.31152 0.32769 0.32897 0.33642 0.33839 0.35086 0.36926 0.37316 0.41190 0.41321 0.42219 0.43500 0.44593 0.46727 0.48158 0.50919 0.54801 0.58823 0.61858 0.70857 0.70996 0.73622 0.74165 0.74675 0.76490 0.77338 0.78448 0.83403 0.83585 0.85846 0.86397 0.87063 0.88614 0.90656 0.91625 0.92383 0.92621 0.94433 0.99551 1.00920 1.01790 1.03319 1.04162 1.04671 1.06336 1.07407 1.10560 1.11761 1.12447 1.12647 1.15236 1.15284 1.17309 1.17454 1.17962 1.19114 1.19287 1.20110 1.21613 1.21795 1.22762 1.24807 1.27014 1.28427 1.30310 1.35733 1.35928 1.40471 1.44203 1.46289 1.49605 1.55994 1.57023 1.57937 1.63928 1.64787 1.67649 1.69526 1.74126 1.76316 1.78245 1.82457 1.85627 1.93102 1.96036 1.98997 2.02943 2.04429 2.05706 2.07039 2.11598 2.13344 2.18513 2.19053 2.20363 2.23918 2.24581 2.28406 2.29737 2.32386 2.34248 2.40318 2.41307 2.42698 2.44616 2.45088 2.47190 2.48315 2.51382 2.53857 2.54181 2.57890 2.58810 2.59272 2.61128 2.65739 2.69546 2.70812 2.73446 2.78268 2.78303 2.82796 2.84814 2.86036 2.87231 2.87415 2.92822 2.95185 3.00659 3.04675 3.05444 3.06218 3.09004 3.13688 3.17570 3.25361 3.25442 3.33430 3.50486 3.59014 3.64655 4.30661 4.56687 4.60459 4.64586 4.69983 4.76367 4.78795 4.84254 4.92047 4.96833 5.13196 5.23072 13.53892 0.2887 -0.7553 0.0008 0.8086 |XX|YY|ZZ|XY|XZ|YZ| -57.6438 -79.3462 -71.3988 -0.9880 0.0035 0.0018 |XX|YY|ZZ|XY|XZ|YZ| 11.8191 -9.8833 -1.9359 -0.9880 0.0035 0.0018 |XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| 53.0448 -8.3152 0.0003 -3.6556 3.7023 0.0114 -1.9054 -0.6951 0.0017 0.0054 |XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY| -1661.4911 -669.3380 -198.6511 56.0320 0.0398 -6.0917 0.0060 0.0031 0.0008 -376.0013 -335.1578 -136.0651 0.0201 0.0080 -1.8432 0 |0.62137567|0.04326886|0.61634059|0.00006836|0.00009378|0.61901268|-0.18646352|0.07987398|-0.00012046|0.86967853|0.08561024|-0.19771475|0.00004190|-0.12272509|0.78398973|-0.00011987|0.00002086|-0.08306307|0.00135485|0.00052281|0.19878669|-0.00857827|0.00289708|-0.00003565|-0.43990608|0.04018796|-0.00077250|0.92816423|0.02519889|0.01081030|0.00006708|-0.01351305|-0.15355200|-0.00014325|0.11897950|0.72443227|0.00000038|0.00001285|0.00654679|-0.00084956|-0.00000252|-0.07857234|0.00181578|0.00096981|0.20743972|0.00229450|-0.00084001|0.00001110|-0.01188634|-0.02314034|-0.00004757|-0.18473121|-0.13529453|-0.00041040|0.56472215|-0.00057040|-0.00129516|0.00000117|-0.00485298|0.01065377|0.00000739|-0.06794124|-0.20884822|-0.00031836|0.05266950|0.43035131|0.00001223|0.00000085|-0.00324776|-0.00003363|-0.00003832|-0.00336892|-0.00031197|-0.00046313|-0.08344630|0.00052152|0.00020687|0.36376425|-0.00006430|0.00003800|-0.00021045|0.00107957|-0.00194844|-0.00255490|-0.03998358|-0.00319467|-0.02941140|-0.13379283|-0.00180362|-0.05470591|0.54641284|0.00020941|-0.00044795|-0.00033348|0.00284353|-0.00000059|-0.00118467|-0.02419519|0.00258517|-0.02573015|0.02769537|-0.09448375|0.07155290|0.15653810|0.57804849|-0.00023826|0.00019686|-0.00002222|0.00190553|0.00121477|-0.00072190|-0.01162427|-0.00659218|-0.00211479|-0.03306010|0.01272691|-0.11724529|-0.05179304|-0.01504662|0.69077482|0.00025468|0.00024162|0.00000097|-0.00125122|-0.00183813|-0.00000543|0.00074763|0.00473353|0.00001022|-0.07364724|0.07600307|-0.00002400|-0.09835043|0.00689909|0.02873275|0.66454094|-0.00004670|-0.00001052|-0.00000012|0.00132284|0.00054929|0.00000379|0.00327152|-0.00153391|0.00000627|0.04724379|-0.02413904|0.00009500|0.01058142|-0.12536108|-0.04185605|-0.05021216|0.57936314|0.00000051|0.00000054|-0.00000241|-0.00000091|-0.00000315|-0.00010266|0.00000858|0.00000959|-0.00096897|-0.00006346|0.00015960|-0.01634588|0.05345329|-0.05939533|-0.11897641|0.00035374|0.00004242|0.47591017|0.00001829|0.00003990|0.00000009|-0.00029753|-0.00028179|-0.00000112|0.00026801|0.00031541|0.00000060|-0.00079231|0.00082206|-0.00001286|-0.00926951|0.00351169|0.00010761|-0.23468961|0.02100502|-0.00025962|0.55994194|-0.00001162|-0.00003649|-0.00000007|-0.00015487|0.00017384|-0.00000008|-0.00171580|-0.00194664|-0.00000665|0.00991546|-0.00868167|0.00000249|0.01749912|0.00011498|0.00404648|0.02011370|-0.09954065|0.00005404|0.01884604|0.64980281|0.00000000|0.00000003|0.00001060|-0.00000081|-0.00000037|-0.00002218|-0.00000239|-0.00000214|0.00021267|-0.00000021|-0.00001819|0.00547096|0.02265776|0.00407592|0.00367310|-0.00026358|0.00005578|-0.10593876|-0.00015526|0.00005387|0.63914954|-0.00006648|0.00003826|0.00021044|0.00107851|-0.00194818|0.00255779|-0.04016228|-0.00330409|0.02923219|-0.13417690|-0.00189561|0.05462398|0.00888750|0.00910232|-0.00909352|-0.09798283|0.01053471|-0.05332691|-0.00916534|0.01757733|-0.02266567|0.54593829|0.00020716|-0.00044840|0.00033318|0.00284584|0.00000107|0.00120168|-0.02433987|0.00249617|0.02563404|0.02792175|-0.09425761|-0.07136870|0.00908736|0.00938235|-0.00198897|0.00670384|-0.12562364|0.05939612|0.00352976|0.00013756|-0.00407090|0.15635003|0.57797768|0.00023858|-0.00019772|-0.00002010|-0.00188930|-0.00122129|-0.00071834|0.01138860|0.00659087|-0.00184746|0.03305931|-0.01267442|-0.11708121|0.00966637|0.00236580|-0.11462221|-0.02861510|0.04187821|-0.11905963|-0.00015542|-0.00397825|0.00354930|0.05154868|0.01544211|0.69129538|-0.00002556|0.00025040|-0.00000056|-0.00078248|-0.00033415|-0.00001449|-0.00614874|0.00687380|-0.00002276|-0.00135624|-0.00348502|-0.00000078|0.00856170|0.00568342|-0.00248993|-0.12329485|-0.03829356|-0.00012269|-0.02270472|-0.03501139|-0.00010196|0.00846860|0.00554033|0.00254858|0.55000470|0.00117712|0.00075354|0.00000347|0.00221965|-0.00532945|-0.00000945|0.03384840|-0.00240566|0.00005972|-0.00199365|0.00425782|0.00000587|-0.00913681|-0.02391577|-0.00278827|-0.03736167|-0.16657094|-0.00018529|-0.00074217|0.00823525|0.00000781|-0.00919829|-0.02400784|0.00268650|-0.06913790|0.59369855|0.00000030|0.00000077|0.00040396|-0.00000750|-0.00001114|0.00526462|0.00001193|0.00000160|0.00832577|0.00000102|0.00000204|-0.00318836|-0.01819301|-0.03050315|-0.00137408|-0.00012081|-0.00018928|-0.09208042|-0.00005485|-0.00006834|0.00133134|0.01821108|0.03046601|-0.00119260|-0.00033342|-0.00025464|0.65921160|-0.00530212|-0.00246216|-0.00003603|-0.01384428|0.03248768|-0.00000574|-0.15926262|0.08602260|-0.00002402|0.00151869|-0.03977956|-0.00005332|0.00327774|-0.00291618|0.00048794|-0.02578784|-0.00266209|-0.00006075|0.00035407|-0.00197111|-0.00000219|0.00327490|-0.00292945|-0.00048211|-0.23963898|0.04103965|-0.00028088|0.98023883|0.00155185|-0.00054996|-0.00001131|0.11418117|0.02473867|0.00029963|0.01051665|-0.27807289|-0.00022113|-0.00561515|-0.03365573|-0.00006248|-0.00075480|-0.00129521|-0.00028644|-0.03566914|0.01391027|-0.00005979|-0.00269771|-0.00889886|-0.00001836|-0.00075838|-0.00130457|0.00027894|0.05116229|-0.12584363|0.00006009|0.05081193|0.74103270|-0.00002825|-0.00001734|0.00808899|0.00009180|0.00009058|0.01090947|-0.00012390|-0.00006702|-0.09373627|-0.00000536|-0.00013526|0.00082360|-0.00116875|-0.00321847|0.00012663|-0.00010819|0.00001338|0.00023110|-0.00000335|-0.00001701|0.00011400|0.00118056|0.00320294|0.00013902|-0.00027391|0.00003400|-0.08501008|0.00179839|0.00083884|0.21885328|-0.00467598|-0.00556601|-0.00002846|-0.04685255|0.02002287|-0.00013962|0.03335063|-0.09308842|-0.00013732|-0.00228708|0.00511287|-0.00000164|0.00011760|-0.00188836|0.00150219|-0.00540475|0.00239017|-0.00000824|-0.00028887|-0.00141428|-0.00000310|0.00012274|-0.00188102|-0.00150747|-0.02341424|-0.02293330|-0.00006756|-0.37032827|-0.20021157|-0.00091792|0.65462791|-0.00476577|0.00067752|-0.00001532|-0.00151134|-0.09610183|-0.00015874|0.00266975|-0.06978933|-0.00012189|0.00160768|-0.01158863|-0.00002072|0.00239120|0.00120294|0.00186196|0.00438702|-0.00124764|0.00000843|0.00044879|0.00148534|0.00000269|0.00240044|0.00121109|-0.00184895|0.00626661|0.02061812|0.00004977|-0.16999771|-0.28593578|-0.00065469|0.10890533|0.63226998|-0.00003111|-0.00002027|0.00519873|-0.00015432|-0.00012728|0.01769174|0.00001527|-0.00035786|0.02992458|-0.00001059|-0.00000899|0.00377476|0.00002410|0.00093945|0.00026712|-0.00000551|0.00000356|-0.00033201|-0.00000070|-0.00000140|0.00026258|-0.00001805|-0.00094551|0.00025261|-0.00002403|-0.00001130|-0.00915233|-0.00088530|-0.00072602|-0.08651017|0.00138075|0.00093678|0.11557002|0.02217322|0.03068627|0.00009421|-0.15625919|-0.05082024|-0.00025205|-0.08024901|-0.00352060|-0.00022097|-0.00606296|0.00220070|-0.00003219|-0.00080132|-0.00101611|0.00077487|-0.00051521|0.00283780|0.00000161|-0.00014673|-0.00128524|-0.00000149|-0.00079166|-0.00100978|-0.00078059|0.00401965|-0.00511870|-0.00001488|-0.15179569|-0.03406715|-0.00044187|-0.21817178|0.05984187|-0.00027168|1.06274134|-0.01204139|-0.02975310|-0.00007310|-0.04980102|-0.34900546|-0.00053325|-0.09142088|-0.01344375|-0.00026693|-0.00580160|0.00460504|-0.00000782|0.00026182|-0.00550285|0.00132013|-0.00066423|-0.00208300|-0.00000528|0.00024621|0.00050447|0.00000167|0.00026772|-0.00549985|-0.00133322|-0.00423559|-0.00607538|-0.00003431|-0.00314488|-0.02685783|-0.00006657|0.15686521|-0.21091429|0.00022517|0.16319715|0.79619726|0.00004086|0.00003121|-0.00155175|-0.00021751|-0.00047186|-0.06448535|-0.00038135|-0.00000406|0.01192905|-0.00004099|-0.00000051|0.00812063|0.00113511|0.00084825|-0.00022722|-0.00000157|0.00000319|0.00056842|0.00000073|-0.00000196|-0.00024850|-0.00113652|-0.00087068|-0.00024205|-0.00001008|-0.00002809|0.00796080|-0.00040385|-0.00018967|0.01426789|-0.00006402|-0.00005062|-0.06511720|0.00209800|0.00119779|0.08207836|-0.15200436|-0.00596602|-0.13429934|-0.01773056|-0.00061485|-0.01923310|0.00082855|0.00330992|-0.00021160|-0.00037973|-0.00006132|-0.00025452|0.00011589|-0.00016734|0.00018071|0.00002111|0.00006270|0.00001201|0.00001325|-0.00000790|0.00000910|0.00008780|-0.00014967|-0.00031957|0.00008537|0.00017581|0.00002083|-0.00024892|-0.00002961|0.00138514|-0.00132838|0.00153118|0.00044769|0.00158258|-0.00254985|0.00063379|0.16352412|-0.00598556|-0.05962997|-0.00737606|0.02015983|0.00138158|0.02639593|-0.00103320|-0.00244241|-0.00004099|0.00010483|0.00036063|0.00012815|0.00000137|0.00018646|0.00001830|-0.00009262|-0.00000086|0.00001000|-0.00000636|0.00002709|0.00000770|0.00000450|0.00018186|0.00009881|-0.00005695|-0.00015180|-0.00012047|-0.00030520|-0.00150551|-0.00108307|0.00334191|-0.00166521|-0.00085761|-0.00222469|0.00359093|-0.00042704|0.00236559|0.05864269|-0.13454671|-0.00816331|-0.24677922|0.00197281|0.00120531|0.00485909|0.00097025|-0.00003912|-0.00022665|-0.00021786|0.00003143|0.00017253|0.00007530|-0.00003923|0.00000660|0.00000972|-0.00002187|-0.00000025|0.00000797|0.00000692|0.00000014|0.00004047|-0.00005809|-0.00007219|0.00002564|-0.00001459|-0.00001018|0.00033587|-0.00006838|-0.00020442|-0.00035531|0.00080163|0.00004664|-0.00019173|-0.00034381|0.00072240|0.14886115|0.00928496|0.26454174|-0.15318748|-0.00635717|0.13469420|-0.01780762|-0.00065765|0.01913006|0.00083310|0.00330766|0.00022521|-0.00038193|-0.00006186|0.00025195|0.00008655|-0.00015079|0.00031987|0.00002118|0.00006263|-0.00001175|0.00001333|-0.00000785|-0.00000906|0.00011704|-0.00016710|-0.00018063|0.00008556|0.00017564|-0.00002002|-0.00024018|-0.00002526|-0.00138552|-0.00132858|0.00153593|-0.00044998|0.00158339|-0.00254915|-0.00063599|0.01604725|0.00109781|-0.01816627|0.16483479|-0.00637165|-0.05967101|0.00783696|0.02028305|0.00145444|-0.02631498|-0.00103212|-0.00244107|0.00003047|0.00010490|0.00036090|-0.00012748|0.00000500|0.00018198|-0.00009811|-0.00009252|-0.00000091|-0.00001042|-0.00000630|0.00002714|-0.00000765|0.00000166|0.00018643|-0.00001780|-0.00005742|-0.00015202|0.00011992|-0.00031003|-0.00150926|0.00107809|0.00333722|-0.00166535|0.00086954|-0.00222683|0.00358745|0.00042163|0.00105845|-0.00025923|-0.00192793|0.00279783|0.05869291|0.13493992|0.00862704|-0.24554878|-0.00201948|-0.00121847|0.00486348|-0.00096863|0.00004825|-0.00023007|0.00021568|-0.00003122|0.00017419|-0.00003977|0.00005806|-0.00007106|-0.00000986|0.00002213|-0.00000032|-0.00000793|-0.00000688|0.00000003|-0.00007481|0.00003893|0.00000553|-0.00002536|0.00001495|-0.00000997|-0.00033659|0.00006421|-0.00020926|0.00035808|-0.00079881|0.00004645|0.00019103|0.00033939|0.00072208|0.01834834|0.00199681|-0.02455787|-0.14929223|-0.00981152|0.26317580|-0.13632090|-0.13437600|-0.00034902|0.01801723|0.02497601|0.00007687|-0.00013874|-0.00067616|-0.00000206|0.00051773|0.00032971|0.00000319|-0.00017553|-0.00015870|-0.00036185|0.00018963|0.00001050|0.00000055|-0.00001994|-0.00009354|-0.00000020|-0.00017720|-0.00015897|0.00035996|0.00001524|-0.00010873|0.00000015|0.00080068|0.00019089|0.00000236|0.00010491|0.00136077|0.00000119|-0.00518791|0.00385537|-0.00000904|-0.01025508|-0.01761927|0.00153573|-0.01031434|-0.01774107|-0.00163557|0.14302391|-0.12781202|-0.28070053|-0.00057235|-0.01827997|-0.02520291|-0.00007306|-0.00061652|0.00072308|-0.00000104|-0.00010682|0.00057970|0.00000128|0.00019504|0.00021132|0.00021606|-0.00016650|-0.00006730|-0.00000042|0.00001558|0.00011029|0.00000018|0.00019597|0.00021218|-0.00021494|-0.00010943|0.00011840|-0.00000002|-0.00078720|-0.00049453|-0.00000227|-0.00025398|-0.00118593|-0.00000337|0.00647120|-0.00207636|0.00001195|0.00050898|0.00185692|-0.00106372|0.00046446|0.00177868|0.00106559|0.14012641|0.30386884|-0.00034016|-0.00058694|-0.05800491|0.00001925|0.00002409|-0.00165688|-0.00000173|-0.00000118|0.00031900|0.00000227|0.00000223|-0.00054011|-0.00001368|0.00012447|0.00012027|0.00000032|-0.00000003|-0.00004127|-0.00000004|-0.00000008|0.00000776|0.00001287|-0.00012500|0.00012116|0.00000009|0.00000004|-0.00009738|0.00000125|0.00000034|-0.00013116|-0.00000219|0.00000075|0.00060725|-0.00000418|0.00000356|0.00095786|-0.01505391|-0.02867532|0.00184169|0.01500207|0.02859737|0.00197831|0.00037667|0.00063482|0.05510148|0.00008266|-0.00027333|-0.00005671|0.00187937|0.00021333|-0.00071173|-0.00349705|0.00193383|-0.00607649|-0.02076339|-0.01912715|-0.00612515|-0.16017446|-0.13356094|-0.02911073|0.01240135|0.01392296|0.00265400|0.00123815|0.00003339|-0.00084183|-0.00096910|-0.00013757|0.00049271|-0.00143441|0.00213764|0.00370073|-0.00085189|0.00044808|-0.00029018|-0.00069614|0.00009478|0.00011144|-0.00077618|-0.00221718|0.00037027|-0.00010393|0.00009580|-0.00002660|-0.00011588|0.00008396|0.00004101|-0.00000149|0.00003946|-0.00002076|0.17807066|-0.00001257|0.00002427|0.00006691|0.00009443|0.00026108|0.00003337|0.00188482|0.00027012|0.00212754|0.00951708|0.01627674|0.00240957|-0.13866885|-0.23319655|-0.04378392|-0.01643908|-0.01962476|-0.00174669|-0.00135105|0.00059923|0.00120062|0.00054735|-0.00043505|0.00161324|0.00283729|-0.00121149|-0.00499493|0.00122561|0.00008016|0.00020806|0.00036204|0.00003009|-0.00010987|-0.00029837|0.00058750|-0.00007382|-0.00000201|-0.00000401|-0.00000189|-0.00000847|-0.00001192|0.00000073|0.00001246|-0.00000339|-0.00001377|0.14683582|0.24379136|0.00002192|-0.00007185|-0.00010523|0.00017472|-0.00028805|-0.00014326|-0.00083839|0.00046437|-0.00342909|-0.01812223|-0.01411039|-0.00428405|-0.02650153|-0.03876300|-0.07673333|-0.01211540|-0.01520392|-0.00177595|-0.00089768|-0.00000302|0.00131604|-0.00096896|-0.00107084|0.00105349|0.00162929|-0.00069130|-0.00328905|0.00000072|0.00029631|0.00017610|-0.00088155|-0.00022153|0.00026095|-0.00006628|-0.00075968|0.00016220|-0.00004979|0.00004299|-0.00000570|-0.00005165|0.00003381|0.00001247|0.00001347|0.00000395|0.00000210|0.03894276|0.04635560|0.07725291|-0.00001414|0.00007332|-0.00001791|-0.00021150|0.00013143|0.00022077|0.00315258|0.00191320|-0.00157373|0.01099771|0.00886414|-0.02360943|-0.11584397|-0.04427782|0.10596255|-0.00392132|-0.01069578|0.00768567|0.00019596|0.00026118|0.00152900|-0.00279180|0.00222978|-0.00080466|0.00035054|-0.00117870|-0.00095323|-0.00010249|-0.00018374|-0.00027428|0.00035117|-0.00019364|-0.00004579|-0.00005602|0.00026252|-0.00002286|0.00001186|-0.00001398|0.00000577|-0.00000906|-0.00003098|-0.00000890|0.00003770|-0.00004272|-0.00001476|-0.00641320|-0.00724204|0.01875000|0.11254883|-0.00001450|0.00002053|0.00000260|0.00031434|0.00013206|-0.00032767|-0.00283293|0.00060762|-0.00202464|-0.00648463|-0.00483948|0.00879553|-0.03898225|-0.10349878|0.08661713|0.00789252|0.01470640|-0.01681786|-0.00059470|-0.00060361|-0.00145158|0.00225156|-0.00227271|-0.00263815|-0.00022204|0.00219620|0.00080889|-0.00014497|-0.00019504|-0.00076300|0.00006730|0.00030168|0.00010203|-0.00001834|-0.00003806|0.00001454|0.00001764|-0.00002714|-0.00000983|0.00006390|-0.00000163|-0.00000788|-0.00002987|-0.00000013|0.00004693|-0.01138203|-0.00792801|0.02388007|0.04958500|0.09971306|0.00000362|0.00006668|-0.00002346|-0.00118421|-0.00064547|0.00029141|0.00324296|0.00194624|0.00137574|0.00696357|0.00582053|-0.01736589|0.09571775|0.08687242|-0.26223361|0.00373070|0.00792398|-0.01090628|-0.00038877|-0.00062416|-0.00124790|-0.00246574|-0.00255242|-0.00628034|0.00071246|0.00096031|0.00089117|-0.00009746|-0.00034813|-0.00002167|-0.00087954|-0.00043075|0.00016948|0.00047176|0.00021178|-0.00016220|0.00002195|-0.00000620|0.00001671|-0.00004877|-0.00002251|0.00000326|0.00006545|-0.00005539|-0.00004928|-0.00251033|-0.00243250|0.00993135|-0.10514655|-0.09637602|0.28657431|0.00001799|-0.00000857|-0.00000421|0.00016364|0.00002636|-0.00001954|0.00066836|0.00046853|0.00003482|-0.00187670|0.00174502|0.00129940|0.00084051|0.00016758|0.00019917|-0.00787531|0.02092859|-0.03597206|-0.07972617|0.03838504|-0.06091112|-0.00505594|-0.00299165|0.00199417|0.00170933|0.00090033|-0.00078304|0.00000159|0.00033059|0.00036355|-0.00008269|-0.00017461|0.00008438|0.00006035|-0.00027475|-0.00006531|-0.00000879|0.00000356|-0.00000575|-0.00001697|-0.00000241|0.00000836|0.00002582|-0.00002523|0.00000073|-0.00005316|0.00021260|0.00021817|-0.00016310|0.00009701|0.00038413|0.08326706|-0.00001012|0.00001744|0.00000584|-0.00010600|-0.00006706|-0.00002276|-0.00000974|-0.00000798|-0.00013884|0.00054347|-0.00028415|-0.00020212|-0.00009479|0.00000687|0.00032496|0.00092927|-0.00401062|0.00469357|0.03909847|-0.13531550|0.11912039|0.00061740|0.00106559|-0.00023142|-0.00042603|0.00020286|-0.00057574|0.00004288|0.00002894|-0.00010672|0.00006684|0.00001281|-0.00004083|0.00009493|0.00012234|0.00002148|0.00000966|-0.00000775|0.00000316|0.00001536|-0.00000247|-0.00000677|-0.00000994|0.00000354|0.00000370|0.00004429|-0.00017327|0.00000889|0.00018405|-0.00000543|-0.00011986|-0.04408561|0.14093198|0.00001697|-0.00001307|-0.00000751|0.00012179|0.00002055|-0.00000742|0.00023881|0.00019123|0.00004828|-0.00060619|0.00035871|0.00036294|-0.00106587|-0.00006176|0.00027547|0.00082451|-0.00085425|0.00144146|-0.06182218|0.11876261|-0.24401011|0.00117670|-0.00090646|0.00167783|0.00011865|0.00014574|-0.00011223|-0.00015490|-0.00020654|0.00024762|-0.00008923|-0.00004589|0.00003444|-0.00006899|-0.00017627|-0.00001488|-0.00000921|0.00000404|-0.00000551|-0.00001178|0.00000096|0.00000805|0.00001513|-0.00001118|-0.00000108|-0.00005836|0.00002890|0.00000108|-0.00020623|0.00031363|0.00020354|0.06807044|-0.13305138|0.26171735|0.00001805|-0.00000865|0.00000429|0.00016411|0.00002644|0.00002049|0.00066961|0.00046941|-0.00003088|-0.00187352|0.00175041|-0.00130451|-0.00504202|-0.00299029|-0.00203222|-0.00803237|0.02082451|0.03598706|-0.08028655|0.03874973|0.06176033|0.00083677|0.00016793|-0.00019618|0.00170631|0.00089862|0.00079340|0.00000253|0.00033063|-0.00036370|-0.00008271|-0.00017462|-0.00008542|0.00005967|-0.00027575|0.00006479|-0.00001699|-0.00000238|-0.00000847|-0.00000886|0.00000357|0.00000574|0.00002590|-0.00002528|-0.00000068|0.00030858|0.00011053|-0.00011164|-0.00056670|0.00073472|0.00052215|0.00292720|-0.00678861|-0.00811209|0.08388698|-0.00001005|0.00001742|-0.00000581|-0.00010576|-0.00006706|0.00002204|-0.00000973|-0.00000786|0.00013871|0.00054094|-0.00028373|0.00020266|0.00061996|0.00106209|0.00023228|0.00095260|-0.00400016|-0.00470417|0.03946179|-0.13465147|-0.11863516|-0.00009626|0.00000772|-0.00032618|-0.00042798|0.00020158|0.00057449|0.00004194|0.00002811|0.00010625|0.00006642|0.00001259|0.00004103|0.00009487|0.00012191|-0.00002050|0.00001530|-0.00000249|0.00000681|0.00000965|-0.00000773|-0.00000312|-0.00000988|0.00000352|-0.00000374|-0.00012106|0.00049008|0.00031630|0.00047206|-0.00021665|-0.00010397|-0.00688663|0.01261638|0.01667611|-0.04449473|0.14019013|-0.00001688|0.00001311|-0.00000753|-0.00012132|-0.00002061|-0.00000798|-0.00023601|-0.00018928|0.00004703|0.00059750|-0.00035253|0.00035925|-0.00120528|0.00089139|0.00166649|-0.00086471|0.00093346|0.00159001|0.06267285|-0.11828093|-0.24410961|0.00106810|0.00006185|0.00027866|-0.00011149|-0.00014076|-0.00010803|0.00015392|0.00020744|0.00024746|0.00008886|0.00004507|0.00003467|0.00006963|0.00017540|-0.00001368|0.00001171|-0.00000100|0.00000808|0.00000922|-0.00000403|-0.00000547|-0.00001503|0.00001108|-0.00000114|-0.00008825|0.00007561|-0.00002843|-0.00013604|0.00011069|0.00000184|0.00821525|-0.01660482|-0.02408930|-0.06899949|0.13251007|0.26183455|0.00000737|-0.00003025|-0.00000002|-0.00011034|0.00004659|-0.00000015|-0.00016965|-0.00039891|-0.00000049|0.00138419|0.00002023|0.00000377|0.00090335|-0.00148270|-0.00023072|-0.01708577|-0.03549683|-0.00008488|-0.12819072|-0.11990878|-0.00032247|0.00090527|-0.00147891|0.00022950|-0.00717849|0.00426361|-0.00001051|-0.00015206|-0.00300004|-0.00000581|-0.00043478|0.00045297|-0.00000047|-0.00057653|0.00024980|-0.00000103|-0.00001801|0.00001359|-0.00000220|-0.00001804|0.00001358|0.00000216|-0.00001427|0.00003010|0.00000000|0.00007427|0.00118238|0.00059084|0.00024471|0.00022174|0.00006349|0.00582606|0.00969169|0.00169322|0.00590916|0.00981951|-0.00164761|0.13800380|0.00001144|-0.00001812|0.00000000|-0.00000590|0.00003474|0.00000006|0.00010469|0.00000373|0.00000050|-0.00015307|0.00099179|0.00000137|-0.00000309|0.00017125|-0.00006282|0.00421938|0.00631759|0.00002011|-0.12272318|-0.27369545|-0.00057491|-0.00000195|0.00017348|0.00006254|0.00104067|0.00071485|0.00000302|0.00044816|0.00003168|0.00000025|0.00008167|-0.00001401|0.00000010|-0.00017874|0.00012226|-0.00000034|-0.00001395|0.00000576|-0.00000436|-0.00001397|0.00000575|0.00000432|0.00000497|0.00000366|0.00000001|-0.00007432|0.00051875|0.00023056|0.00007535|0.00004419|0.00006412|-0.00860936|-0.01593580|-0.00062251|-0.00856554|-0.01586179|0.00053389|0.13396731|0.29548008|0.00000004|-0.00000009|-0.00000225|-0.00000026|0.00000014|-0.00000041|0.00000010|-0.00000069|-0.00014384|0.00000358|0.00000185|-0.00030271|0.00063500|0.00085829|0.00026809|-0.00002967|-0.00006965|-0.00133015|-0.00032660|-0.00056893|-0.05936484|-0.00063191|-0.00086523|0.00026411|-0.00001516|0.00001042|0.00020478|-0.00000098|-0.00000754|0.00055461|-0.00000104|0.00000092|0.00008567|-0.00000150|0.00000080|-0.00002788|-0.00000211|-0.00000109|-0.00000104|0.00000199|0.00000117|-0.00000101|-0.00000003|0.00000007|0.00000339|0.00007928|-0.00021386|-0.00005853|-0.00004491|-0.00004670|0.00003075|0.01669074|0.02727223|0.00190469|-0.01669630|-0.02727782|0.00174693|0.00037204|0.00063654|0.05569799|-0.00001422|0.00007355|0.00001815|-0.00021577|0.00012933|-0.00022280|0.00316048|0.00191783|0.00158656|0.01092300|0.00882756|0.02375892|-0.00280640|0.00221623|0.00082580|-0.00387201|-0.01064029|-0.00768545|0.00020118|0.00026270|-0.00152203|-0.11495304|-0.04361935|-0.10542194|0.00034957|-0.00117756|0.00094779|-0.00010390|-0.00018592|0.00027353|0.00034680|-0.00019563|0.00004615|-0.00005399|0.00026316|0.00002408|-0.00000932|-0.00003110|0.00000876|0.00001199|-0.00001399|-0.00000583|0.00003792|-0.00004300|0.00001504|0.00024714|0.00017801|0.00042271|0.00202107|-0.00091118|0.00062363|-0.00056504|0.00047123|0.00013476|-0.00016233|0.00018292|0.00020514|0.00024480|0.00007549|0.00004613|0.11162113|-0.00001447|0.00002072|-0.00000256|0.00030970|0.00012938|0.00032872|-0.00283337|0.00060742|0.00201017|-0.00642664|-0.00480097|-0.00879018|0.00223263|-0.00228706|0.00265848|0.00782913|0.01468066|0.01692278|-0.00060217|-0.00060933|0.00145068|-0.03835325|-0.10304693|-0.08637661|-0.00021638|0.00220078|-0.00080530|-0.00014868|-0.00019795|0.00076219|0.00006556|0.00030075|-0.00010130|-0.00001695|-0.00003737|-0.00001445|0.00006374|-0.00000171|0.00000814|0.00001765|-0.00002720|0.00000980|-0.00002948|-0.00000016|-0.00004695|0.00001956|0.00017691|0.00041188|-0.00091200|0.00160114|0.00058368|0.00073659|-0.00021665|-0.00010797|0.00009941|-0.00000488|-0.00031374|0.00022161|0.00004422|0.00004777|0.04888701|0.09921442|-0.00000359|-0.00006623|-0.00002360|0.00118254|0.00064533|0.00029874|-0.00324277|-0.00194007|0.00136882|-0.00685468|-0.00574833|-0.01733126|0.00248763|0.00257286|-0.00625148|-0.00368076|-0.00790250|-0.01093514|0.00039372|0.00062724|-0.00124750|-0.09516391|-0.08665242|-0.26357215|-0.00071560|-0.00096232|0.00088736|0.00009680|0.00034672|-0.00001699|0.00088067|0.00043002|0.00017478|-0.00047097|-0.00020961|-0.00016631|0.00004888|0.00002235|0.00000359|-0.00002194|0.00000602|0.00001662|-0.00006513|0.00005532|-0.00004950|-0.00033073|-0.00029511|0.00015576|-0.00060962|-0.00057875|-0.00170835|-0.00052275|0.00010550|0.00000006|-0.00038548|0.00012008|0.00020221|-0.00006191|-0.00006376|0.00003061|0.10449814|0.09610302|0.28800249|0.00008245|-0.00027383|0.00005668|0.00187753|0.00021047|0.00072257|-0.00352773|0.00191898|0.00608041|-0.02086650|-0.01920544|0.00599904|-0.00097133|-0.00014068|-0.00050204|0.01236050|0.01386238|-0.00255372|0.00123046|0.00003046|0.00084206|-0.16041571|-0.13380659|0.02839310|-0.00141104|0.00214448|-0.00368696|-0.00085325|0.00044874|0.00028744|-0.00069970|0.00009432|-0.00011533|-0.00077448|-0.00222014|-0.00038279|-0.00011591|0.00008422|-0.00004137|-0.00010428|0.00009593|0.00002640|-0.00000152|0.00003942|0.00002086|0.00056640|0.00001939|0.00025482|0.00024757|0.00002033|0.00033117|0.00030763|-0.00011998|0.00008941|-0.00005247|0.00004418|0.00005827|0.00007717|-0.00007330|-0.00007877|-0.00634088|-0.01128370|0.00240910|0.17840487|-0.00001221|0.00002426|-0.00006663|0.00009461|0.00026012|-0.00003190|0.00189195|0.00027698|-0.00210921|0.00947813|0.01624528|-0.00231248|0.00055197|-0.00043388|-0.00161457|-0.01647746|-0.01966587|0.00162384|-0.00134765|0.00060266|-0.00120835|-0.13893063|-0.23342053|0.04276432|0.00281899|-0.00122722|0.00501274|0.00122645|0.00008133|-0.00020292|0.00035944|0.00002904|0.00011106|-0.00029889|0.00058592|0.00007327|-0.00000860|-0.00001184|-0.00000082|-0.00000214|-0.00000391|0.00000189|0.00001243|-0.00000341|0.00001382|0.00001864|0.00074168|0.00034471|0.00017764|0.00017735|0.00029601|0.00011057|0.00049092|-0.00007368|0.00021338|-0.00017326|-0.00002846|0.00118269|0.00051860|0.00022077|-0.00720354|-0.00787207|0.00235431|0.14714313|0.24404068|-0.00002107|0.00007101|-0.00010503|-0.00016613|0.00028960|-0.00014038|0.00084267|-0.00044572|-0.00340509|0.01807141|0.01408024|-0.00414528|0.00096115|0.00106583|0.00105443|0.01213377|0.01521482|-0.00168790|0.00089350|0.00000107|0.00132071|0.02577298|0.03776879|-0.07627812|-0.00161294|0.00070619|-0.00329717|-0.00000197|-0.00029466|0.00017584|0.00087860|0.00022106|0.00026546|0.00006130|0.00075187|0.00016312|0.00005106|-0.00003350|0.00001243|0.00004935|-0.00004257|-0.00000547|-0.00001346|-0.00000379|0.00000215|-0.00024866|-0.00034050|-0.00082376|-0.00042188|-0.00041184|0.00015474|0.00011339|-0.00031544|-0.00002860|-0.00021789|-0.00000911|0.00000029|-0.00058703|-0.00022934|-0.00006166|-0.01884005|-0.02397721|0.00980295|-0.03811242|-0.04527232|0.07666921|-0.00011470|-0.00013461|-0.00009908|-0.00092940|-0.00020978|-0.00094768|-0.00411717|-0.00120648|-0.00015655|0.00074333|0.00010629|0.00045023|-0.00317824|-0.00367023|-0.00011249|0.00583182|-0.01049205|-0.01767591|0.00107394|0.00002592|-0.00084223|0.00025924|0.00152882|0.00025663|-0.07416508|0.03532193|0.05446882|-0.00897451|0.02215447|0.03131259|0.00434782|-0.00151932|0.00045706|-0.00302560|0.00276348|-0.00137356|-0.00008441|0.00007226|0.00000265|-0.00004483|-0.00000499|-0.00000201|-0.00000789|0.00004209|0.00001679|0.00086095|-0.00104145|-0.00057485|-0.00012677|0.00021155|0.00005959|-0.00006589|-0.00000784|-0.00004250|-0.00034843|-0.00014119|0.00026542|0.00020164|0.00018231|0.00014971|0.00007263|0.00015041|0.00013314|-0.00004652|0.00003314|-0.00013277|0.07906353|0.00005366|0.00008124|-0.00002554|-0.00034876|-0.00057544|0.00051693|0.00125631|0.00016923|0.00004749|-0.00005950|0.00077228|0.00016434|-0.00593346|-0.00441244|0.00081895|0.00892567|-0.01776377|-0.02699550|0.00148613|0.00093149|-0.00018970|0.00058182|0.00202966|-0.00162547|0.03482985|-0.13852136|-0.12052101|0.00305294|-0.00461095|-0.00487239|-0.00060000|0.00036529|-0.00063866|0.00041257|0.00039602|0.00047593|0.00004380|-0.00001644|0.00000961|0.00003329|-0.00001953|-0.00000243|-0.00002011|0.00001285|-0.00001145|0.00121545|-0.00155048|-0.00089648|0.00001653|0.00031757|0.00000870|-0.00013663|0.00003636|0.00009289|-0.00089056|0.00049341|0.00045943|0.00015041|0.00015964|0.00044172|0.00051600|-0.00021053|0.00098485|-0.00013722|0.00019908|0.00024643|-0.03892604|0.14834718|-0.00003208|0.00003812|0.00000594|-0.00014269|0.00010900|-0.00011043|-0.00011321|0.00082729|-0.00043279|0.00012396|-0.00004453|0.00075121|-0.00071872|0.00104548|0.00104957|-0.00020645|0.00078947|0.00022828|0.00009352|-0.00001788|-0.00010660|-0.00016832|-0.00043650|0.00120172|0.05271969|-0.12177121|-0.24436952|0.00021231|0.00190402|0.00364420|-0.00022499|-0.00003933|0.00078704|0.00094292|-0.00013905|0.00006589|0.00001823|-0.00000471|0.00000530|0.00000958|-0.00000430|-0.00000423|-0.00000956|-0.00000311|-0.00000202|-0.00007508|-0.00015249|0.00013311|-0.00011038|0.00021155|0.00024169|0.00006643|-0.00006837|-0.00003222|-0.00056527|0.00009187|0.00040004|-0.00024559|0.00016362|0.00026380|0.00014781|-0.00050494|0.00014180|0.00000338|-0.00013404|0.00010838|-0.05848115|0.13484967|0.26077311|-0.00011545|-0.00013488|0.00009806|-0.00093281|-0.00020990|0.00094365|-0.00412009|-0.00120276|0.00013779|0.00074607|0.00010716|-0.00045028|0.00025943|0.00152729|-0.00025666|0.00575288|-0.01053677|0.01767037|0.00107062|0.00002333|0.00084761|-0.00318160|-0.00366601|0.00008377|-0.07369726|0.03493832|-0.05361986|-0.00883327|0.02225304|-0.03130419|0.00434722|-0.00152003|-0.00044383|-0.00302644|0.00275655|0.00136319|-0.00004486|-0.00000499|0.00000182|-0.00008433|0.00007227|-0.00000282|-0.00000783|0.00004209|-0.00001668|-0.00004706|0.00003218|0.00013210|0.00007386|0.00014840|-0.00013308|-0.00034972|-0.00014011|-0.00026912|-0.00006581|-0.00000822|0.00004237|0.00020124|0.00018346|-0.00014939|-0.00012705|0.00021263|-0.00006072|0.00085812|-0.00104360|0.00057518|0.00266868|-0.00550818|0.00676707|0.07855215|0.00005348|0.00008132|0.00002607|-0.00034705|-0.00057403|-0.00052006|0.00125671|0.00017162|-0.00003987|-0.00005831|0.00077288|-0.00016464|0.00057411|0.00202381|0.00162946|0.00880655|-0.01783444|0.02698271|0.00148580|0.00093104|0.00019947|-0.00593147|-0.00440686|-0.00086036|0.03444609|-0.13921583|0.12097807|0.00303318|-0.00461942|0.00486214|-0.00060369|0.00036375|0.00063527|0.00041767|0.00039680|-0.00047300|0.00003333|-0.00001957|0.00000254|0.00004389|-0.00001642|-0.00000948|-0.00002019|0.00001282|0.00001139|-0.00013612|0.00019920|-0.00024679|0.00052059|-0.00020933|-0.00098329|-0.00089015|0.00049498|-0.00046331|-0.00013607|0.00003645|-0.00009330|0.00015172|0.00016138|-0.00044138|0.00001621|0.00031822|-0.00000842|0.00121131|-0.00155311|0.00089718|-0.00541594|0.01337975|-0.01662317|-0.03849756|0.14911557|0.00003172|-0.00003850|0.00000648|0.00013793|-0.00011128|-0.00010717|0.00010073|-0.00083132|-0.00043404|-0.00012394|0.00004562|0.00074825|0.00016565|0.00044621|0.00120661|0.00025603|-0.00088754|0.00038160|-0.00008415|0.00002084|-0.00010254|0.00068304|-0.00107658|0.00104777|-0.05187113|0.12222876|-0.24415004|-0.00025949|-0.00182941|0.00351414|0.00023865|0.00003150|0.00078789|-0.00095534|0.00015236|0.00006590|-0.00000967|0.00000423|-0.00000424|-0.00001851|0.00000497|0.00000519|0.00000948|0.00000334|-0.00000200|-0.00000447|0.00013453|0.00010854|-0.00014653|0.00050453|0.00013899|0.00055942|-0.00009224|0.00039988|-0.00006692|0.00006852|-0.00003245|0.00024572|-0.00016314|0.00026253|0.00010891|-0.00021043|0.00024148|0.00008168|0.00014317|0.00013897|-0.00666245|0.01670762|-0.02466913|0.05757145|-0.13534321|0.26051876|0.00062258|-0.00104974|0.00000136|0.00154268|0.00065981|0.00002124|0.00274903|-0.00196340|0.00000427|0.00102750|0.00022546|-0.00000403|-0.00008876|0.00022132|-0.00009319|-0.00041099|0.00021468|-0.00000099|-0.00004120|-0.00014103|-0.00000024|-0.00008679|0.00022333|0.00009304|-0.00010448|-0.00115371|-0.00000951|-0.00314876|0.00881815|-0.00000015|-0.02164030|-0.01393596|-0.00002592|-0.46394950|-0.15379259|-0.00098434|0.00003146|0.00003101|-0.00029163|0.00002818|0.00003291|0.00029306|-0.00017403|0.00009788|0.00000058|0.00016780|0.00001190|0.00002843|-0.00001349|-0.00000855|-0.00005992|0.00002392|-0.00001078|0.00001626|0.00002391|-0.00001066|-0.00001612|-0.00003439|0.00002148|0.00000001|-0.00001377|-0.00000855|0.00005992|0.00016861|0.00001156|-0.00002808|0.00010585|-0.00001399|-0.00001143|0.00010330|-0.00001409|0.00001218|0.48311162|0.00033692|0.00140682|0.00000339|-0.03279120|0.00443082|-0.00003334|-0.00078475|-0.00866198|-0.00001534|-0.00136864|0.00092997|-0.00000879|-0.00005629|-0.00034181|0.00023522|0.00037650|-0.00044823|0.00000016|0.00004044|0.00029648|0.00000050|-0.00005297|-0.00033882|-0.00023657|0.00026414|0.00143044|0.00000093|0.00812622|-0.00438473|0.00001002|0.02739579|0.02122701|0.00008628|-0.16415441|-0.15953060|-0.00047263|0.00037502|-0.00048796|0.00039647|0.00037571|-0.00048599|-0.00039553|0.00017236|0.00023884|0.00000093|-0.00010730|0.00009175|-0.00006259|0.00000458|0.00001819|-0.00005377|-0.00002677|-0.00000434|-0.00000111|-0.00002681|-0.00000429|0.00000101|0.00011689|0.00002177|0.00000031|0.00000433|0.00001821|0.00005392|-0.00010685|0.00009120|0.00006191|0.00017727|-0.00001009|-0.00008647|0.00017628|-0.00001057|0.00008742|0.16153353|0.14450791|0.00000260|0.00000163|-0.00075937|-0.00005315|-0.00000426|-0.00973658|0.00001709|-0.00003928|0.00145024|-0.00000736|-0.00000186|0.00337044|0.00060323|0.00055852|0.00010441|-0.00000167|-0.00000023|0.00013337|-0.00000005|0.00000008|-0.00002026|-0.00060457|-0.00055733|0.00009981|-0.00000809|-0.00000655|0.00296004|-0.00000164|0.00003330|0.00372608|-0.00001858|0.00001664|-0.01513115|-0.00093061|-0.00043101|0.00447242|-0.00060778|0.00061278|-0.00036966|0.00061061|-0.00061161|-0.00036797|0.00000077|0.00000103|-0.00048568|0.00018385|-0.00009533|0.00011029|-0.00000607|0.00004582|-0.00002598|-0.00001875|0.00001757|-0.00001383|0.00001889|-0.00001765|-0.00001392|0.00000016|0.00000017|-0.00002364|0.00000608|-0.00004569|-0.00002499|-0.00018297|0.00009550|0.00010979|-0.00046940|-0.00004591|-0.00007414|0.00047221|0.00004597|-0.00007136|0.00099518|0.00042770|0.01058164| 163.11095 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 104.6090 125.4293 174.9173 214.8596 230.7519 301.4335 304.1638 358.0247 402.2388 437.3781 469.3112 474.5842 545.3269 552.2088 649.2148 693.6467 727.4144 770.5663 820.5892 845.2478 932.6647 942.8344 986.5497 998.1236 1047.4222 1070.6274 1082.8647 1112.2871 1133.8366 1142.7550 1172.0952 1237.3082 1249.4499 1256.1962 1278.0985 1306.5653 1373.3118 1377.3441 1394.1197 1398.6091 1423.1060 1442.7222 1509.5364 1553.6579 1566.5365 1585.4408 1621.0152 1626.6069 1631.7514 1638.8993 1639.8831 1646.3386 1657.8579 1678.0515 1698.2805 1841.3231 3192.6035 3204.9646 3205.5113 3227.6301 3238.1973 3238.8306 3253.1133 3256.0796 3258.5569 3286.5644 3289.7655 3310.2488 3926.8131 1.4594 1.7439 2.8435 2.8801 1.1005 2.7454 2.4379 3.8584 1.9963 4.2517 1.3715 2.6913 2.9047 2.9396 3.7424 3.7847 3.0424 3.8863 4.4343 4.1212 2.2284 4.0408 1.6312 2.1371 3.2290 2.9083 1.6657 1.6449 1.6344 4.2962 1.4775 1.1631 1.5359 2.7734 2.2538 3.5248 1.4908 2.7782 2.6734 1.3993 2.0515 1.7262 1.8083 1.6052 1.3375 2.1667 1.3336 1.1101 1.0436 1.0506 1.0577 1.0888 1.8596 1.2244 7.1570 6.9825 1.0374 1.0441 1.0545 1.0582 1.0620 1.1054 1.1026 1.1029 1.1023 1.1101 1.1109 1.0998 1.0821 0.0094 0.0162 0.0513 0.0783 0.0345 0.1470 0.1329 0.2914 0.1903 0.4792 0.1780 0.3571 0.5089 0.5281 0.9293 1.0729 0.9485 1.3596 1.7593 1.7348 1.1421 2.1164 0.9354 1.2544 2.0872 1.9641 1.1508 1.1990 1.2379 3.3055 1.1960 1.0491 1.4127 2.5786 2.1691 3.5452 1.6566 3.1053 3.0613 1.6127 2.4480 2.1170 2.4278 2.2829 1.9339 3.2089 2.0647 1.7304 1.6371 1.6627 1.6759 1.7388 3.0114 2.0314 12.1619 13.9483 6.2301 6.3191 6.3837 6.4951 6.5614 6.8317 6.8749 6.8893 6.8963 7.0648 7.0834 7.1006 9.8314 1.3152 1.5737 1.6343 2.1496 0.2867 0.5171 0.9710 1.5684 1.3242 4.2102 83.3325 0.1432 4.4611 3.8062 0.0286 2.3118 19.1052 2.5027 4.2185 15.6443 2.1154 10.3960 3.0794 11.8994 11.6282 10.6630 6.1827 0.4511 0.0430 24.7023 0.1271 0.5701 0.0440 11.1232 38.8698 3.0505 0.2520 11.5511 69.3188 0.0059 33.2611 0.2524 2.5579 8.3584 2.9574 9.2533 11.9994 0.7550 5.2887 5.0105 4.4812 0.0136 2.8320 1.5565 16.6684 8.9782 25.1115 82.2823 16.1298 62.6114 44.4677 11.8759 50.1600 29.0044 39.2812 21.5606 65.4704 9.0700 112.6811 0.8386 0.8782 0.8417 0.4435 0.1471 0.8906 0.9348 1.6315 1.0840 4.4429 2.4239 1.4458 0.5235 0.1349 10.2865 0.9436 0.7763 18.7507 0.1185 5.2199 9.7187 2.6795 1.5533 3.3684 8.7748 14.0705 3.6052 8.8802 1.0894 0.8260 0.7216 2.8962 4.8186 0.8025 4.5852 14.0656 6.2998 2.6524 12.7436 0.2944 12.3710 2.3577 1.2135 7.4951 2.9029 18.6963 25.5034 7.3671 15.1468 21.1565 19.7772 3.0063 5.9697 11.8922 20.3757 9.7036 53.1152 54.3954 250.5401 11.7711 241.0492 39.3654 104.1765 102.4309 67.1959 48.1031 94.4814 49.1666 103.0140 0.7500 0.7500 0.7500 0.6340 0.7500 0.7033 0.7500 0.7500 0.7500 0.1120 0.7500 0.3830 0.7500 0.1849 0.3579 0.1388 0.7500 0.0930 0.7500 0.6000 0.7500 0.4983 0.7500 0.7182 0.7500 0.2374 0.4062 0.4217 0.7500 0.1146 0.7500 0.7500 0.7500 0.1373 0.3024 0.7405 0.7500 0.4271 0.5600 0.7500 0.6590 0.7442 0.5975 0.7419 0.5656 0.5746 0.5644 0.7488 0.7500 0.7500 0.7491 0.7500 0.7364 0.7480 0.1611 0.3667 0.0058 0.1716 0.0555 0.7500 0.0756 0.7500 0.7500 0.7500 0.6921 0.7500 0.7498 0.7338 0.3007 0.8571 0.8571 0.8571 0.7760 0.8571 0.8258 0.8571 0.8571 0.8571 0.2015 0.8571 0.5539 0.8571 0.3121 0.5271 0.2438 0.8571 0.1702 0.8571 0.7500 0.8571 0.6652 0.8571 0.8360 0.8571 0.3837 0.5777 0.5932 0.8571 0.2056 0.8571 0.8571 0.8571 0.2415 0.4644 0.8509 0.8571 0.5986 0.7180 0.8571 0.7945 0.8533 0.7481 0.8518 0.7226 0.7298 0.7215 0.8563 0.8571 0.8571 0.8566 0.8571 0.8482 0.8559 0.2775 0.5367 0.0115 0.2929 0.1051 0.8571 0.1406 0.8571 0.8571 0.8571 0.8181 0.8571 0.8570 0.8465 0.4623 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 6 6 6 7 6 6 6 6 6 6 7 7 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 14.00307 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 852.96091 2368.22704 2931.71396 0.99968 -0.02539 0.00000 0.02539 0.99968 0.00000 -0.00000 -0.00000 1.00000 1 0.10155 0.03657 0.02954 2.11585 0.76206 0.61559 150.51 180.46 251.67 309.14 332.00 433.70 437.62 515.12 578.73 629.29 675.23 682.82 784.60 794.51 934.08 998.00 1046.59 1108.67 1180.64 1216.12 1341.90 1356.53 1419.43 1436.08 1507.01 1540.39 1558.00 1600.33 1631.34 1644.17 1686.38 1780.21 1797.68 1807.39 1838.90 1879.86 1975.89 1981.69 2005.83 2012.29 2047.53 2075.76 2171.89 2235.37 2253.90 2281.10 2332.28 2340.32 2347.73 2358.01 2359.43 2368.71 2385.29 2414.34 2443.45 2649.25 4593.44 4611.23 4612.02 4643.84 4659.04 4659.95 4680.50 4684.77 4688.34 4728.63 4733.24 4762.71 5649.81 0.230881 0.240488 0.241432 0.196276 -511.422619 -511.413012 -511.412068 -511.457223 1.514506D-04 MUNgauss RevisionA2.1 retrievium 15-Nov-2022 GDB_13 Smiles: CC1=C2N3CC(C)(C3)CC2=NN1 RHF 6-31G(d) (6D,10F) C1 163.110948 |X|Y|Z| 21.491346 36.546889 12.349966 21.326845 10 6 7 7 3 |36.858105| |12.747238|36.858105| |7.310719|14.014381|36.858105| |5.694224|7.435369|13.374174|53.358707| |4.231396|5.341371|8.172783|17.341282|36.858105| |3.663948|4.754783|7.174226|12.077560|12.300488|36.858105| |2.841273|3.449216|4.564752|7.351703|7.192907|12.549735|36.858105| |4.231469|5.341489|8.172678|17.341245|9.308460|12.300350|7.192785|36.858105| |3.769728|5.254632|7.604054|9.095063|7.517714|12.290437|7.473557|7.517767|36.858105| |5.167162|8.634187|13.506040|10.537358|6.914951|7.728732|4.964767|6.914943|12.659116|36.858105| |5.182343|8.439213|8.500461|7.264829|4.804031|5.095315|3.780396|4.804095|7.502057|14.690697|53.358707| |7.593089|14.080713|8.870820|7.278470|4.431422|4.293206|3.237857|4.431564|5.336446|9.147799|19.325706|53.358707| |17.543731|8.884472|5.773524|6.358808|3.552222|3.245349|2.585769|3.797552|3.375097|4.481586|6.361398|9.098870|0.500000| |17.543718|8.884457|5.773698|6.358952|3.797558|3.245380|2.585789|3.552307|3.375112|4.481631|6.361360|9.098437|0.301218|0.500000| |17.612005|9.015950|6.912686|8.633742|4.515126|3.754049|2.922249|4.515241|3.625644|4.680075|5.939567|7.692622|0.301038|0.301037|0.500000| |3.682727|4.283973|5.819901|12.208825|17.565938|8.654706|6.796426|7.601445|5.469941|4.977033|5.140166|4.885084|0.087543|0.093319|0.112761|0.500000| |4.249437|5.387449|7.562963|11.871057|17.587067|8.341920|5.766970|6.304596|6.937749|6.842056|6.829193|6.297272|0.097186|0.110783|0.122024|0.298910|0.500000| |2.639105|3.184677|4.076513|6.218687|6.323994|8.815558|17.530489|5.353147|6.793679|4.568634|4.915193|4.170896|0.066496|0.068176|0.074556|0.166928|0.158257|0.500000| |2.639105|3.184671|4.076465|6.218669|5.353193|8.815499|17.530448|6.323931|6.793569|4.568563|4.915154|4.170905|0.068176|0.066497|0.074557|0.139333|0.124725|0.301688|0.500000| |2.698526|3.155901|4.070143|6.945488|6.650179|8.809463|17.543291|6.649992|5.446228|4.119551|4.405683|3.936207|0.068368|0.068369|0.078858|0.203379|0.145178|0.301292|0.301294|0.500000| |4.249577|5.387733|7.562948|11.871050|6.304662|8.342082|5.766941|17.587062|6.938103|6.842277|6.829550|6.297790|0.110784|0.097189|0.122029|0.147726|0.136106|0.124726|0.158257|0.145174|0.500000| |3.682785|4.284043|5.819828|12.208571|7.601182|8.654452|6.796177|17.565981|5.469933|4.977015|5.140217|4.885211|0.093319|0.087545|0.112763|0.212150|0.147722|0.139329|0.166928|0.203366|0.298911|0.500000| |3.354242|4.487388|5.898366|7.202330|5.492802|8.753638|6.829692|6.553989|17.528905|8.862135|8.929977|6.428885|0.086604|0.083246|0.089245|0.122161|0.138879|0.168565|0.203118|0.139700|0.190491|0.139443|0.500000| |3.354170|4.487269|5.898282|7.202161|6.553698|8.753491|6.829745|5.492758|17.528954|8.862087|8.929828|6.428650|0.083245|0.086602|0.089243|0.139438|0.190471|0.203124|0.168566|0.139701|0.138883|0.122159|0.302545|0.500000| |6.760676|9.033674|6.111122|5.741848|3.618079|3.516972|2.783018|3.618003|4.266941|6.316546|12.856115|26.125382|0.180748|0.180760|0.138053|0.084463|0.105548|0.074074|0.074072|0.069887|0.105545|0.084462|0.109172|0.109174|0.500000| 511.260398 -2660.152228 975.630440 -71.365968 -1244.627358 732.973857 -511.653501 2.000769 405400000000000F 419E15C9FFFFFFF5 4135E14D1745D16C 40D82A0000000001 400FFFFFFFFFFFFE 41908B0B80000000