Version2.5 2022-07-03T17:56:57Z 10.1021/ja902302h Gaussian16 RevisionB.01 RPOIRIER 29-Jun-2022 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) GDB_13 Smiles: CC1C=CC2=NC3(CC3)CCN12 RHF 6-31G(d) (6D,7F) CC1C=CC2=NC3(CC3)CCN12 C1[X(C10H14N2)] 72 C1 208 CC1C=CC2=NC3(CC3)CCN12 CC1C=CC2=NC3(CCN12)CC3 CC1C=CC2=NC3(CCN12)CC3 InChIKey=UFPXAAWWWNIYEU-UHFFFAOYSA-N InChI=1S/C10H14N2/c1-8-2-3-9-11-10(4-5-10)6-7-12(8)9/h2-3,8H,4-7H2,1H3 InChI=1/C10H14N2/c1-8-2-3-9-11-10(4-5-10)6-7-12(8)9/h2-3,8H,4-7H2,1H3 CC1C=CC2=NC3(CC3)CCN12 C01[X(C10H14N2)] 72 C1 208 CC1C=CC2=NC3(CC3)CCN12 C[C@H]1CC[C@H]2[N@]1CCC1(N2)CC1 C[C@H]1CC[C@@H]2NC3(CCN12)CC3 InChIKey=FLJWERNFCGBAEY-DTWKUNHWSA-N InChI=1S/C10H18N2/c1-8-2-3-9-11-10(4-5-10)6-7-12(8)9/h8-9,11H,2-7H2,1H3/t8-,9+/m0/s1 InChI=1/C10H18N2/c1-8-2-3-9-11-10(4-5-10)6-7-12(8)9/h8-9,11H,2-7H2,1H3/t8-,9+/m0/s1 4.952958420492D+02 -2.592132351153D+03 718.2059658224 -495.6830058 1-A 2075.7493 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| -15.56717 -15.51098 -11.29537 -11.27720 -11.26055 -11.24526 -11.24295 -11.23157 -11.22485 -11.22071 -11.20561 -11.20293 -1.30462 -1.20096 -1.11642 -1.09419 -1.01659 -0.99785 -0.88736 -0.87459 -0.81217 -0.80101 -0.76768 -0.70964 -0.68002 -0.67023 -0.63805 -0.62617 -0.60550 -0.58415 -0.56768 -0.56200 -0.55667 -0.52696 -0.52277 -0.51311 -0.50978 -0.49094 -0.48910 -0.41462 -0.40660 -0.37006 -0.36764 -0.30043 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.13850 0.22701 0.25194 0.26425 0.27058 0.28283 0.28979 0.29785 0.30264 0.30969 0.31425 0.32346 0.33158 0.33715 0.34398 0.36164 0.37732 0.38842 0.39453 0.39879 0.41352 0.42254 0.43948 0.45686 0.48765 0.50913 0.52571 0.56872 0.63463 0.67582 0.70645 0.71390 0.72065 0.73901 0.75323 0.76430 0.77482 0.78774 0.80769 0.84219 0.84871 0.86298 0.87718 0.88068 0.90301 0.90649 0.91925 0.92559 0.95502 0.96416 0.98197 0.99354 1.02498 1.03207 1.05120 1.07149 1.09056 1.11140 1.11508 1.12219 1.13407 1.13983 1.15079 1.15767 1.16739 1.17609 1.18525 1.19446 1.20669 1.21699 1.22313 1.23660 1.24662 1.25352 1.26110 1.26947 1.32579 1.36483 1.38796 1.42517 1.43520 1.48441 1.53610 1.56934 1.59074 1.61003 1.64774 1.66973 1.70112 1.71791 1.76727 1.79065 1.80536 1.83244 1.91957 1.98226 2.02738 2.04048 2.04978 2.06726 2.10041 2.10931 2.13206 2.14731 2.17471 2.21067 2.22350 2.23623 2.25092 2.27409 2.29173 2.31582 2.31948 2.35779 2.37391 2.39436 2.40075 2.44225 2.45685 2.49199 2.51399 2.54829 2.57825 2.60825 2.61809 2.65286 2.66226 2.66426 2.67510 2.68857 2.69894 2.74095 2.79039 2.81550 2.88792 2.89708 2.92007 2.94668 2.97448 3.03223 3.04597 3.05107 3.08917 3.10594 3.13699 3.17748 3.21479 3.22867 3.31100 3.36470 3.59610 3.69147 4.49244 4.56179 4.57865 4.61852 4.69769 4.74187 4.79437 4.88851 4.90564 4.98102 5.06249 5.10910 11.94380 -2.6944 -2.2213 -0.3288 3.5074 |XX|YY|ZZ|XY|XZ|YZ| -67.6515 -71.1316 -73.8622 -4.1117 -0.0643 0.8823 |XX|YY|ZZ|XY|XZ|YZ| 3.2302 -0.2498 -2.9805 -4.1117 -0.0643 0.8823 |XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| -28.0447 -1.5977 0.9277 -6.4871 -0.6463 -5.8739 1.2449 -3.0507 -0.0865 0.0557 |XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY| -1957.6687 -581.1022 -242.1988 -22.8375 -13.7987 -19.2997 2.8653 2.8384 4.7854 -420.5792 -384.7432 -147.5519 1.6660 3.0354 4.4104 0 |0.63316833|0.02251967|0.62343912|0.04190138|-0.04445814|0.59732707|-0.10600157|0.02501500|0.03645779|0.57474114|0.01680810|-0.12958348|-0.04880450|-0.05279444|0.62168133|0.02991331|-0.05274987|-0.17082386|0.03694196|-0.04424066|0.60814544|0.00690701|0.01885278|-0.00167537|-0.10819632|-0.01167747|-0.00171636|1.02531530|0.00203920|-0.02319918|-0.00478790|-0.04494623|-0.22095756|0.00942745|-0.08232962|0.66059522|-0.00890303|-0.02879423|0.00392973|0.00304460|0.01272461|-0.08922969|0.04256448|-0.03869258|0.18490126|0.00029352|-0.00217066|-0.00203047|0.00327984|0.01371190|-0.00111242|-0.49393724|0.23167976|-0.03775301|0.80401396|-0.00303377|-0.00366974|0.00245112|0.02871470|-0.03470709|0.00516127|0.21705328|-0.28355093|0.02693610|-0.17949468|0.93135627|0.00120467|-0.00040508|-0.00052389|-0.00269865|0.00476121|0.00661125|-0.03680002|0.02750223|-0.07071439|0.04350079|-0.07051131|0.15551355|-0.00414307|0.00002757|0.00057686|-0.03042841|0.03090463|-0.00547338|-0.05561036|-0.00056731|-0.00285342|-0.17862871|-0.07175253|0.00071713|1.12047638|-0.00837150|-0.00497026|0.00003646|0.04242143|0.00862056|0.00027274|0.00497978|0.02491239|-0.00095630|-0.08720299|-0.19488288|0.00590743|-0.05858261|0.67900643|0.00494614|-0.00132113|0.00158217|-0.00413245|-0.00145840|-0.01784009|-0.00329225|-0.00159059|0.00789491|0.00313849|0.00660448|-0.07776250|0.04794697|-0.04663858|0.21183444|-0.00151583|-0.00107287|-0.00228397|0.00625004|0.00710404|0.00088287|0.00188226|-0.01092265|0.00108740|-0.05035049|0.00917660|-0.00266456|-0.64324128|0.13515997|-0.03908174|0.94278123|0.00281216|0.00140180|0.00061349|-0.00925452|-0.01000332|0.00204962|-0.00566604|-0.00483081|0.00021859|-0.02146833|0.02121779|-0.00361164|0.08179507|-0.16377358|0.01291971|-0.03469013|0.39863524|-0.00241374|-0.00027445|-0.00103597|0.00085266|0.00185370|0.00880276|0.00033082|0.00059739|0.00166453|-0.00014116|-0.00217977|-0.00352155|-0.03812522|0.02060483|-0.08058349|0.04928527|-0.03557120|0.12240837|0.00072505|0.00046475|0.00038602|-0.00161775|-0.00215451|-0.00052742|-0.00190620|-0.00009679|-0.00000521|0.00245410|0.00382292|-0.00104310|-0.06457828|-0.03980768|-0.00311370|-0.16100610|-0.05356982|0.00278064|0.70136668|0.00042369|0.00031534|0.00044701|-0.00012585|-0.00221543|-0.00025291|-0.00091904|0.00148419|-0.00024320|0.00412801|-0.00018475|0.00172879|-0.00730161|0.01624104|-0.00117992|-0.10371992|-0.20270245|0.00799454|0.00726963|0.57203270|0.00043385|0.00016070|0.00011290|-0.00000100|0.00009101|-0.00051606|-0.00016714|-0.00042448|0.00001964|-0.00010069|0.00230101|0.01488047|-0.00103265|-0.00888039|0.00108039|0.00491522|0.01741623|-0.08590423|0.11302410|-0.09143998|0.43632234|-0.00001740|-0.00002633|0.00005501|-0.00004470|0.00002636|0.00003527|0.00000773|-0.00000573|-0.00007225|-0.00034461|0.00004059|-0.00089289|-0.00200269|-0.00046750|0.00240620|-0.02906306|-0.00014088|0.00511929|-0.24127446|0.04303737|-0.00920500|0.56808484|0.00002498|-0.00006997|-0.00001962|-0.00029470|0.00030116|-0.00023830|-0.00009247|-0.00045694|0.00001649|-0.00048399|0.00085626|-0.00173950|-0.00197174|-0.00661639|0.00141445|-0.03130628|0.01144983|0.01603329|0.06548985|-0.09822905|0.01640279|-0.01578230|0.75323273|0.00001896|0.00002239|0.00009926|-0.00032518|-0.00007848|0.00010473|0.00028227|0.00034966|-0.00004458|-0.00033060|-0.00057690|0.00066229|-0.00127597|0.00381519|0.00005753|0.00255266|-0.00071224|-0.00228755|0.03907219|0.00536741|-0.03377087|-0.21237272|-0.04076187|0.43625480|0.00007151|0.00003298|0.00002673|-0.00041497|0.00013914|0.00000859|0.00038064|-0.00012097|0.00005347|-0.00124561|-0.00008370|0.00177646|0.00351455|-0.00110714|-0.00141202|-0.01887044|-0.01227909|-0.02275850|-0.10370581|-0.01332645|-0.07438114|-0.05347595|0.00695596|0.05200971|0.30405339|-0.00005559|0.00004550|-0.00025997|0.00035786|0.00036009|0.00012423|-0.00013544|-0.00078729|0.00009825|-0.00046339|0.00113633|0.00261658|0.00732390|-0.00935113|-0.00089674|-0.01532008|-0.00703469|-0.02670459|-0.03183396|-0.07593285|-0.00257266|0.02565064|-0.11161035|-0.04921415|0.12803828|0.71035581|0.00001076|-0.00003473|-0.00008564|-0.00003083|0.00014047|-0.00021138|0.00026404|-0.00019168|0.00007090|-0.00051301|-0.00022387|-0.00034930|0.00373022|-0.00059010|0.00035303|-0.00721840|-0.00280449|0.00634191|-0.12025710|0.01024533|-0.16940155|0.10425725|-0.06129270|-0.19889227|0.01693837|-0.02325603|0.71520553|0.00012130|-0.00025972|-0.00016572|0.00080935|-0.00236535|0.00182957|-0.00095020|-0.00034616|0.00003343|-0.00051056|0.00117911|-0.00123011|0.00871201|-0.00733421|0.00299950|0.00116960|-0.02718697|0.01314781|-0.11209636|0.03358236|-0.02379620|-0.00915226|0.02462134|-0.01657071|-0.00580903|0.00501009|-0.00171151|0.59499335|-0.00024023|-0.00070602|-0.00038273|0.00123176|-0.00579713|0.00324623|-0.00207032|0.00015776|-0.00012399|-0.00035991|0.00010758|-0.00063106|0.00087809|0.00015125|0.00174388|-0.00310102|-0.03163108|0.01479013|0.02873360|-0.17964113|0.05540949|0.00660313|-0.00849670|0.00749109|0.00244719|0.00911687|-0.00420248|0.08314087|0.62079913|0.00007013|-0.00001825|-0.00009898|-0.00029382|-0.00101801|0.00008560|-0.00058287|-0.00011383|0.00012662|-0.00015067|-0.00013219|-0.00034400|0.00021941|0.00108605|0.00316317|-0.00009070|-0.00044856|0.00200386|-0.02268158|0.05868410|-0.12696561|0.00221870|-0.01876966|0.00543474|-0.00975488|0.02973881|-0.01939714|0.01613808|0.03039174|0.63720992|0.00062572|0.00068012|0.00004391|-0.01185868|-0.02623700|0.00486687|-0.00528771|0.00079783|-0.00034357|-0.00101415|0.00667766|0.00017421|0.03048200|-0.00872197|0.00055594|-0.01035989|0.00116647|0.00164218|-0.01474731|0.01643479|-0.00145139|0.00146757|0.00071349|0.00033584|0.00037566|-0.00282638|0.00029998|-0.18813802|0.04170308|0.04230949|0.56590031|0.00171189|0.00247015|0.00122740|-0.00828519|0.01170358|-0.00210781|0.00620110|-0.00019667|0.00043238|0.00204582|-0.00250004|0.00063913|-0.01394323|-0.04076641|0.00360417|-0.01004423|0.00926430|-0.00070511|0.03870700|-0.00605355|-0.01173430|-0.00000946|-0.00655083|0.00329814|-0.00061835|-0.00027981|-0.00216528|0.02885493|-0.11090508|-0.01369552|-0.04523769|0.64201064|0.00049333|0.00084786|0.00046526|0.00200205|-0.00186788|-0.00755001|-0.00071986|-0.00056866|-0.00066534|-0.00096477|0.00116863|0.00337716|0.00162148|0.00635650|-0.00603163|0.00222260|-0.00158795|-0.00099862|-0.02074904|0.00229500|0.01174027|-0.00039277|0.00545022|-0.00103408|0.00058370|-0.00075053|0.00048617|0.03812984|-0.01373282|-0.11663422|0.04628196|-0.00669400|0.65743928|-0.03133451|-0.00088511|0.00240138|-0.24386150|-0.00653300|-0.00881532|-0.03416413|-0.01758583|-0.00082782|0.00574841|-0.02734075|0.00202155|-0.18326970|0.05696529|-0.00875807|-0.03717783|0.06972205|-0.00886569|0.01246798|0.00521332|-0.00028473|0.00014863|-0.00097368|0.00051170|-0.00021867|-0.00090948|-0.00091212|-0.03617141|-0.04183482|0.00160254|-0.17861023|-0.06303560|-0.00169233|0.75740437|0.03002368|0.00623638|0.00369685|0.00639587|-0.13507010|0.00556194|-0.04856649|-0.02251283|0.00004620|-0.01012383|-0.05504258|0.00469858|0.02944811|-0.29714593|0.02257667|0.05578790|-0.02233052|0.00283534|-0.00780473|-0.01152812|0.00412030|-0.00100906|0.00216827|-0.00219060|-0.00045718|0.00520579|0.00156265|0.00290156|0.00806612|0.00011764|-0.06188121|-0.22651866|0.00669070|0.03021743|0.81647107|0.02767525|0.00161912|0.00702580|-0.01291619|0.00760681|-0.06893970|0.00278272|0.00236242|0.00440117|0.00133478|0.00377271|0.00890731|-0.00506413|0.02036749|-0.05306642|-0.00934637|0.00708969|0.02830766|0.00172204|0.00288292|-0.00631774|0.00023810|0.00008018|-0.00000022|-0.00043529|-0.00214722|-0.00027909|0.00834375|0.00982208|0.00087581|-0.00676952|0.00294128|-0.06381574|0.02290829|-0.04700294|0.11009507|-0.34162418|-0.01821950|-0.01476926|-0.01292534|-0.00283227|-0.00484629|0.00040999|-0.00100129|-0.00034962|-0.00001547|0.00027866|-0.00002054|0.00064625|-0.00266591|0.00102366|-0.00091928|0.00083099|-0.00037991|0.00023461|0.00017505|0.00003272|0.00000031|0.00002558|0.00006044|0.00005556|-0.00009263|-0.00000354|0.00002298|-0.00010466|-0.00001795|0.00052070|0.00068939|-0.00024937|-0.00196711|0.00377426|0.00339157|0.37101875|-0.01990893|-0.06002541|-0.00165865|0.01989495|0.00189209|0.00438586|0.00036405|0.00082691|0.00108191|-0.00006228|0.00011185|-0.00015519|0.00028187|0.00186246|-0.00068556|0.00051090|-0.00059316|0.00036335|-0.00026518|-0.00012966|0.00002051|0.00000427|0.00003198|-0.00002136|-0.00000184|0.00003048|0.00000755|0.00025692|0.00031641|0.00007342|-0.00041827|-0.00101894|-0.00030402|0.00342749|-0.00326122|-0.00408836|0.02051402|0.05880876|-0.01711699|-0.00127007|-0.06205978|0.02786617|0.00483490|0.00481383|-0.00063319|0.00073495|0.00101476|0.00010145|0.00010672|-0.00015565|0.00078525|0.00192767|-0.00130758|0.00075248|-0.00079944|0.00057019|-0.00024198|-0.00018280|-0.00011606|-0.00001713|0.00000044|-0.00002824|-0.00002198|0.00006910|0.00003194|0.00007542|0.00018226|0.00010083|-0.00041276|-0.00075558|-0.00034259|0.00375212|-0.00555604|-0.00283041|0.01663958|0.00352949|0.05886001|-0.07731628|-0.07091146|0.00458443|0.00435364|0.01819554|-0.00130469|-0.00127384|0.00048657|0.00293494|-0.00000926|0.00063490|0.00000774|0.00030334|0.00115168|-0.00000397|-0.00004332|-0.00033664|0.00008484|0.00004870|0.00006193|-0.00008620|-0.00000315|-0.00005870|0.00000612|-0.00002769|-0.00001169|-0.00000441|-0.00019145|0.00004329|0.00001095|-0.00038939|0.00028376|0.00032085|0.00143241|-0.00109979|-0.00092600|-0.00774351|-0.03785819|0.00316848|0.07787522|-0.06977707|-0.32540311|0.02004634|-0.00619326|-0.01799443|0.00346379|0.00286719|0.00033172|-0.00399052|-0.00024072|-0.00058475|-0.00028776|-0.00087820|-0.00124619|-0.00005607|0.00073485|0.00033918|-0.00005392|-0.00027941|-0.00029787|0.00021178|-0.00001560|0.00012433|-0.00010054|-0.00001344|0.00013969|0.00002714|0.00048645|0.00041296|0.00006372|-0.00037507|-0.00097214|-0.00013423|-0.00007345|0.00151221|0.00011721|-0.00119174|-0.00008360|0.00015604|0.07779513|0.35254238|0.00530997|0.02168387|-0.06192131|-0.00954782|-0.03070769|0.00296750|0.00374029|-0.00096333|-0.00424315|0.00006974|-0.00159524|0.00048215|-0.00048623|-0.00098170|-0.00024008|0.00026806|0.00026412|-0.00002060|-0.00009837|-0.00005094|0.00007771|0.00000454|0.00004408|-0.00002006|0.00002080|0.00004574|0.00000142|0.00009269|0.00006015|-0.00018942|0.00061019|-0.00019717|0.00059502|-0.00134184|0.00190222|0.00083445|-0.00058758|-0.00231192|-0.00043393|-0.00802272|-0.02084821|0.06079234|-0.08652688|0.03032086|-0.07940120|0.00447574|-0.00561879|0.01608907|0.00028302|-0.00088487|-0.00048103|-0.00003193|0.00001127|-0.00016234|-0.00001848|0.00080678|0.00010673|0.00016968|-0.00021775|0.00004075|-0.00007168|-0.00002875|0.00006214|0.00001710|-0.00000196|-0.00001637|-0.00000868|0.00000506|-0.00002429|-0.00004600|0.00001756|-0.00006268|-0.00011670|-0.00033193|0.00041182|0.00198773|-0.00162326|-0.00121017|-0.00866351|0.01392474|-0.03389493|0.00335128|-0.00307714|0.01053644|0.08582733|0.03128129|-0.09641040|0.09271809|-0.00740784|0.00725370|-0.02026939|-0.00113917|0.00151466|-0.00069843|0.00011947|0.00008901|0.00041700|0.00035629|0.00038468|-0.00008094|-0.00022313|-0.00010218|-0.00007853|-0.00000299|0.00007593|0.00003013|0.00001765|-0.00000729|0.00002718|0.00001590|-0.00004683|-0.00002309|-0.00004723|0.00002786|-0.00016374|0.00018293|0.00000764|0.00050128|-0.00113390|0.00062570|0.00187829|-0.00076489|0.00077024|-0.00405117|0.01230830|-0.01067045|0.03245739|-0.03547238|0.09847887|-0.07673557|0.09021267|-0.28514374|-0.01118754|0.01030266|-0.02607644|-0.00071167|0.00198297|0.00094867|0.00054205|-0.00065285|0.00079788|0.00026157|0.00007009|-0.00042255|0.00030343|-0.00018538|0.00003028|-0.00001517|-0.00005238|-0.00011045|-0.00002984|-0.00000145|-0.00000479|-0.00000246|0.00003664|0.00004920|0.00003036|0.00004671|0.00008900|0.00020120|-0.00000988|-0.00062069|-0.00026069|0.00042084|0.00392880|-0.00068087|-0.00064604|0.00093709|0.00033239|0.00090502|-0.00012032|0.08487257|-0.09816391|0.30947631|0.00648647|-0.00463334|0.01438726|-0.07887953|0.02260362|-0.06623403|0.00565687|-0.00095905|0.00933021|0.00000123|-0.00179742|-0.00022750|-0.00277387|-0.00910760|-0.00407109|-0.00251052|0.00375432|0.00205589|0.00095710|0.00051606|-0.00071231|0.00002182|-0.00012278|0.00018344|0.00002934|-0.00030971|-0.00006763|-0.00003882|-0.00006808|-0.00004283|0.00184722|0.00362716|-0.00136651|-0.03017887|0.02287938|-0.03102310|0.00063042|-0.00069076|-0.00087266|0.00021443|-0.00001863|-0.00086664|-0.00049376|0.00211944|0.00282184|0.09847771|-0.00501052|0.00893001|-0.02099229|0.02719385|-0.09735139|0.08823509|0.01405072|-0.01261887|0.03165039|-0.00133782|-0.00382264|0.00001240|-0.00088254|-0.00234617|0.00256428|0.00093115|0.00053193|-0.00041285|0.00002487|-0.00043636|0.00011090|-0.00002640|0.00009183|-0.00022165|-0.00015763|0.00030500|-0.00000423|0.00014673|0.00025399|0.00011728|0.00024791|0.00098091|-0.00089019|-0.00097935|0.00332988|-0.00263554|-0.00013047|0.00058894|0.00109197|-0.00094157|0.00103047|0.00103878|0.00210697|-0.00175717|-0.00401379|-0.03639250|0.10227175|-0.00757110|0.01106459|-0.02791925|-0.06748274|0.08467254|-0.26713128|0.00032138|0.00147277|0.00126700|0.00116219|0.00016340|0.00034864|0.00002462|-0.00213824|-0.00031694|-0.00015241|0.00041540|-0.00021254|0.00016338|0.00017154|-0.00027064|0.00000717|-0.00003655|0.00010193|0.00007503|-0.00012735|0.00003804|-0.00006947|-0.00047304|0.00017667|-0.00029196|0.00069820|-0.00025686|-0.00545787|0.00021665|0.00794526|0.00074100|0.00040899|0.00070944|-0.00083714|-0.00041356|0.00139170|0.00321767|-0.00401319|-0.00357468|0.07678740|-0.09228301|0.28818607|-0.00005254|-0.00044805|0.00002343|0.00106278|0.00244010|0.00010535|-0.34564623|-0.10570534|-0.00544719|-0.01607337|-0.01590879|0.00001205|-0.00190649|0.00436240|-0.00105078|-0.00198589|-0.00121340|0.00002450|-0.00001059|0.00029529|0.00005698|-0.00003295|-0.00009646|0.00007586|0.00000605|-0.00009763|-0.00000323|-0.00007035|-0.00000942|-0.00009349|0.00036819|0.00030911|-0.00001272|0.00100615|0.00045956|0.00012340|0.00031824|-0.00008913|-0.00008334|0.00014922|-0.00012112|-0.00020076|-0.00004913|-0.00004373|-0.00003204|-0.00003334|-0.00075465|0.00013528|0.36225772|-0.00058946|0.00140017|0.00038793|-0.02805085|0.00147335|-0.00174697|-0.10868575|-0.11390495|-0.00028248|0.01991383|0.01652018|0.00041123|0.00265120|-0.00576513|0.00160773|0.00123884|0.00172485|-0.00006082|0.00023556|-0.00024156|-0.00004560|0.00002383|0.00014975|-0.00004082|0.00000641|0.00003598|-0.00001277|-0.00013593|-0.00060856|-0.00012097|-0.00117120|0.00179671|0.00004253|-0.00211761|-0.00697180|0.00038993|0.00074306|-0.00044849|-0.00030505|0.00042059|0.00005262|-0.00000062|0.00004737|-0.00006091|-0.00027089|0.00069295|0.00041141|0.00100010|0.11620924|0.10399871|-0.00007434|0.00104095|0.00014689|0.00213399|-0.00010202|0.00221996|-0.00496710|0.00045265|-0.04727792|-0.00266928|-0.00144984|0.00937765|-0.00098646|0.00183496|0.01284379|-0.00016896|-0.00003703|0.00047685|0.00008983|-0.00019473|-0.00175614|0.00012322|0.00021574|-0.00008643|-0.00023153|-0.00034216|0.00003956|-0.00000015|-0.00012692|0.00003143|-0.00012172|0.00010769|0.00123708|0.00061377|0.00053706|0.00023025|0.00010236|-0.00012626|0.00007823|-0.00000673|0.00020668|0.00000870|-0.00010508|-0.00010379|-0.00020244|-0.00031648|-0.00113750|-0.00011933|0.00607978|-0.00035816|0.02960526|0.00061620|0.00072293|-0.00028322|-0.00628761|0.00112343|-0.00113206|0.00718191|0.03120280|-0.00233704|-0.07358390|0.03322546|-0.00396561|0.01265906|-0.02516944|0.00247391|0.00138060|0.00264980|0.00000516|-0.00026675|0.00038092|-0.00012596|-0.00001713|-0.00003909|0.00007181|0.00006576|-0.00010029|-0.00000231|0.00028757|0.00014429|-0.00005886|0.00143738|-0.00067017|0.00015699|-0.00519791|-0.00538315|0.00012805|0.00002841|-0.00005611|-0.00006513|-0.00012939|0.00020840|0.00033152|-0.00003245|-0.00001935|0.00010194|0.00045243|0.00096879|-0.00007264|0.00083492|-0.00121391|0.00044535|0.06111394|0.00007472|-0.00006880|0.00012008|0.00061819|0.00021510|0.00121430|-0.00284775|-0.00624483|0.00081062|0.03180429|-0.39065952|0.02857840|0.00950129|-0.01024560|0.00131883|-0.00064087|0.00168538|-0.00013197|-0.00037903|0.00017183|-0.00010944|0.00001288|-0.00002044|0.00006657|0.00005470|-0.00012398|0.00001293|0.00011891|0.00009188|-0.00008870|0.00091586|0.00003734|0.00018522|-0.00209703|-0.00207660|0.00018270|0.00005578|-0.00002854|-0.00003739|0.00000574|0.00003259|-0.00006396|-0.00001135|-0.00000738|-0.00005904|0.00002133|-0.00051849|-0.00001070|0.00059739|0.00037960|-0.00054810|-0.03739625|0.40768252|0.00096016|0.00285472|-0.00069276|-0.00097840|0.00040928|0.01427285|0.00052289|0.00252182|0.00556360|-0.00394949|0.02863617|-0.04739888|-0.00014914|-0.00021248|0.00086332|0.00011207|0.00000353|-0.00050529|0.00003242|-0.00001043|-0.00037356|0.00004624|0.00005133|-0.00001380|-0.00005397|-0.00010529|0.00000453|0.00001691|0.00001345|0.00001712|0.00001860|-0.00010060|0.00090929|0.00000609|0.00013480|0.00175331|-0.00002151|-0.00009632|-0.00007752|-0.00042231|0.00050457|0.00055683|0.00008282|-0.00003130|-0.00019040|-0.00074541|-0.00260740|-0.00035381|0.00030383|-0.00062676|-0.00680644|0.00433376|-0.03137263|0.03263581|-0.00001988|-0.00001837|-0.00004897|0.00014551|0.00016959|-0.00006875|-0.00010449|-0.00027239|0.00001256|-0.00015902|0.00042808|-0.00045822|0.00097536|-0.00300139|0.00064833|-0.00663127|0.00228805|0.00298465|-0.01169523|-0.02047223|0.01778387|-0.17342280|-0.10673850|0.10754889|-0.00038172|0.00640585|-0.00292466|0.00251244|-0.00251517|-0.00135256|-0.00019523|-0.00060168|0.00044461|-0.00021439|0.00130349|-0.00021445|-0.00003304|0.00001265|0.00001466|-0.00000762|0.00005537|0.00001643|0.00001039|-0.00001085|-0.00000325|-0.00011348|0.00010848|-0.00004860|-0.00006447|0.00005021|0.00005801|-0.00002885|-0.00003025|0.00001489|0.18128402|0.00000340|-0.00000042|-0.00001706|0.00002703|0.00004869|-0.00003841|0.00002748|-0.00003038|0.00000668|-0.00007614|-0.00001218|0.00010760|0.00056885|0.00028545|0.00008894|-0.00112986|0.00000625|-0.00038402|0.00522148|0.00151282|-0.00565330|-0.11098524|-0.17062040|0.09879261|0.00961757|0.00727932|-0.00705618|0.00085649|0.00066316|0.00051449|-0.00027205|-0.00002495|-0.00008855|-0.00026517|0.00032378|-0.00013113|-0.00000761|0.00000079|0.00000601|0.00000115|0.00000972|0.00000212|0.00000024|-0.00000389|0.00000241|-0.00003753|0.00001315|-0.00000480|-0.00000758|0.00000081|-0.00002419|0.00001653|0.00000589|-0.00000149|0.11749027|0.17174283|-0.00000842|-0.00000185|-0.00003214|-0.00002092|0.00004102|-0.00003396|-0.00005245|-0.00007808|0.00000728|-0.00010918|0.00015260|-0.00018172|-0.00040297|-0.00105722|0.00013830|-0.00434900|0.00082060|0.00167732|-0.00478455|-0.01306035|0.00458280|0.10714127|0.09695823|-0.13675243|0.01957015|0.02291195|-0.01578825|0.00184856|0.00028187|0.00044228|-0.00008235|-0.00067954|0.00009565|-0.00023517|0.00041328|-0.00009193|0.00000552|0.00000551|0.00001061|-0.00000864|0.00001918|0.00000649|-0.00000663|-0.00000723|0.00001157|-0.00002528|0.00002992|-0.00000556|-0.00002303|0.00002158|0.00002713|-0.00000151|-0.00000786|-0.00000393|-0.11715009|-0.10291102|0.14385947|-0.00000961|0.00001713|0.00001619|0.00013773|-0.00015788|0.00007136|-0.00009437|0.00007269|-0.00000781|0.00008791|-0.00006599|0.00015070|-0.00079831|0.00049042|-0.00031572|0.00527202|-0.00078556|-0.00278289|-0.00434341|0.03480104|0.00231507|-0.06539838|0.05192655|0.01061286|-0.00402237|-0.00390290|0.00108400|-0.00397949|-0.00009195|0.00446354|-0.00015267|0.00192654|-0.00143864|0.00075855|-0.00072549|0.00018295|-0.00001260|-0.00001285|-0.00000312|0.00002169|-0.00004512|-0.00001735|0.00000337|0.00000303|-0.00000266|0.00004745|-0.00001656|0.00000742|0.00001220|-0.00003092|-0.00001954|-0.00003897|-0.00002589|0.00000531|0.00721344|-0.02178587|-0.00329429|0.06459553|-0.00000390|-0.00000806|0.00000073|-0.00011648|0.00007071|-0.00002417|0.00006899|0.00003544|0.00000315|0.00004485|-0.00007229|-0.00005058|-0.00015864|0.00040341|0.00008095|-0.00144265|0.00103052|0.00026314|-0.00070813|-0.00325708|-0.00101278|0.05829351|-0.37025700|-0.00922277|0.00149249|-0.00526877|0.00098625|0.00048191|0.00007768|-0.00107007|-0.00024434|-0.00024361|0.00028131|-0.00004574|0.00024074|-0.00000656|0.00001384|0.00000314|0.00000175|-0.00000915|0.00001059|0.00000126|-0.00000511|-0.00000115|0.00000269|0.00000596|-0.00001211|0.00000896|0.00001269|0.00000499|0.00000526|0.00000855|0.00001318|-0.00000410|0.00386667|-0.01272705|-0.00109248|-0.06237951|0.38814488|-0.00001057|0.00000706|-0.00000327|0.00004184|-0.00006952|0.00004995|-0.00001350|0.00006631|-0.00001048|0.00006960|-0.00014317|-0.00008184|-0.00005516|0.00093573|-0.00024087|0.00328646|-0.00117909|-0.00014304|-0.00038287|0.01403218|-0.00397443|0.01014238|-0.00653097|-0.05117085|0.00533418|-0.03600905|0.00190476|-0.00306488|0.00058605|0.00173814|-0.00013192|0.00073529|-0.00099494|0.00007765|-0.00035245|0.00018842|0.00000000|-0.00000478|0.00000555|0.00000881|-0.00002204|-0.00001162|-0.00000521|-0.00000501|0.00000575|0.00003044|-0.00001386|0.00001297|0.00001105|-0.00001885|0.00001438|0.00000351|0.00000087|0.00001598|-0.00646838|0.01795951|0.00226251|-0.01082534|0.01099891|0.05152836|0.00000880|0.00002022|-0.00001072|0.00001015|-0.00011968|-0.00011910|-0.00006277|0.00012187|0.00000768|0.00008637|-0.00016374|-0.00019450|-0.00165496|0.00148329|-0.00014605|0.00306133|0.00107755|0.00430177|0.00585629|0.02398093|-0.02075562|-0.00511126|-0.02058606|0.01576965|-0.05247477|-0.03554570|0.03465813|-0.00052027|-0.00302893|-0.00558423|0.00061595|0.00018927|-0.00029363|0.00018566|-0.00079325|0.00027266|0.00001868|-0.00001099|0.00000658|0.00000879|-0.00003551|-0.00000713|-0.00001719|0.00000112|0.00002438|0.00003348|-0.00003981|0.00003002|0.00001670|-0.00001935|0.00002563|-0.00000150|-0.00000992|-0.00001570|0.00068556|0.00192846|0.00522949|0.00069359|-0.00044712|-0.00349119|0.05117723|0.00001149|-0.00002300|0.00004118|-0.00007635|0.00005503|0.00002839|0.00004870|-0.00000110|-0.00000711|-0.00003404|0.00002916|0.00009597|-0.00007813|-0.00007626|-0.00007118|-0.00138608|0.00058030|-0.00159303|0.00044620|-0.00310839|-0.00158296|0.00178360|0.01197753|-0.01320197|-0.03465475|-0.19483523|0.15697996|0.00007210|0.00025113|0.00098733|-0.00019592|-0.00000946|0.00027468|0.00014625|0.00003139|-0.00018092|0.00000172|0.00000322|-0.00001540|-0.00000444|0.00000555|0.00000039|0.00001022|0.00001146|-0.00001859|-0.00000089|-0.00001005|-0.00000731|0.00000356|0.00000689|-0.00000666|-0.00000759|0.00000259|-0.00000058|-0.00049585|-0.00048287|-0.00321346|0.00115027|0.00125237|0.00148439|0.03508307|0.19893839|0.00001197|0.00001408|-0.00000865|0.00006789|-0.00009200|-0.00010354|-0.00010274|0.00000671|0.00001591|-0.00001406|0.00005708|-0.00011142|-0.00121064|-0.00011028|0.00001777|0.00055426|0.00105164|0.00318205|0.00610194|0.00876755|-0.01288593|-0.00040043|0.01216198|-0.01446717|0.03228219|0.15132427|-0.23929498|0.00056949|-0.00210734|-0.00217663|0.00028804|0.00014400|-0.00007668|0.00019367|-0.00036121|0.00015270|0.00000212|-0.00000735|0.00000242|0.00000684|-0.00001721|-0.00000362|-0.00000589|-0.00000050|0.00001432|0.00000177|-0.00000780|0.00000976|-0.00000732|-0.00000272|0.00001108|-0.00001727|-0.00001996|-0.00002024|-0.00159332|-0.00094970|-0.00268420|0.00144583|0.00005180|0.00198091|-0.03632994|-0.16390143|0.25382776|-0.00002917|-0.00000262|-0.00011713|0.00008528|0.00022112|0.00004067|-0.00005788|-0.00037905|0.00004814|-0.00023017|0.00056628|0.00065396|0.00337460|-0.00440183|-0.00016517|-0.00487085|-0.00044780|-0.00618578|-0.00573719|-0.02850614|0.00040669|0.00781112|0.02758599|0.00171398|-0.06978982|-0.08472423|-0.02490097|0.00093699|-0.00001606|0.00327468|-0.00104371|-0.00114690|-0.00048785|-0.00036057|0.00265949|-0.00044580|-0.00003032|0.00002463|0.00003881|-0.00002120|0.00009351|0.00001578|-0.00000345|-0.00003594|0.00001949|-0.00013033|0.00013002|-0.00004781|-0.00005437|0.00003893|-0.00010144|-0.00003121|-0.00003755|-0.00002029|0.00041613|-0.00144035|-0.00346613|0.00053979|0.00124912|0.00571461|-0.00127751|-0.00235105|-0.00130700|0.06965153|-0.00003491|-0.00001249|-0.00003554|0.00010216|0.00007774|0.00002709|0.00004947|-0.00003379|0.00002129|-0.00004307|0.00000152|-0.00014058|0.00133473|-0.00052723|-0.00011610|-0.00073949|0.00058247|0.00028897|0.00254281|0.00502010|0.00100299|-0.00360143|-0.00935501|-0.00040579|-0.08396238|-0.32554341|-0.07162292|0.00008109|-0.00030393|0.00021793|-0.00010613|0.00020810|-0.00025613|-0.00038796|0.00050143|0.00015139|-0.00001639|0.00001139|0.00001714|-0.00000301|0.00002148|-0.00000261|0.00000124|-0.00001511|0.00000650|-0.00002671|0.00003005|-0.00001382|-0.00001220|0.00000301|0.00001872|0.00001150|0.00000694|0.00000497|0.00039721|0.00167725|0.00088211|-0.00051450|0.00035741|-0.00231998|-0.00471960|-0.01505748|-0.00702867|0.08951428|0.34127150|0.00001036|0.00000202|-0.00003575|0.00005885|0.00007335|-0.00008104|-0.00003934|-0.00013133|0.00002731|-0.00006467|0.00021399|0.00027691|0.00114138|-0.00140856|0.00008916|-0.00053241|-0.00023721|-0.00090317|-0.00072329|-0.01541219|-0.00651442|-0.00806222|-0.01878307|-0.00699825|-0.02237049|-0.06815216|-0.08230474|-0.00157827|-0.00094984|0.00204997|-0.00058742|0.00029266|-0.00033564|0.00007969|0.00077707|-0.00033477|-0.00001325|0.00000197|0.00000769|-0.00000105|0.00002262|0.00000600|0.00000078|-0.00000557|0.00000797|-0.00006401|0.00005056|-0.00001952|-0.00002023|0.00001167|-0.00004302|-0.00001416|-0.00002164|-0.00002441|0.00176242|-0.00019487|0.00253819|-0.00147566|-0.00022792|-0.00343810|0.00750349|0.02388244|0.01266070|0.02470457|0.07932949|0.08350690|0.00001135|0.00014433|-0.00000490|-0.00009626|0.00003302|-0.00002513|0.00000836|0.00006137|-0.00003050|0.00005717|-0.00019426|-0.00005560|-0.00037428|0.00014745|0.00032171|0.00050356|-0.00030306|0.00134127|-0.00310314|-0.00266838|-0.01432663|0.00137594|-0.00096019|0.00064446|0.00111081|0.00283605|-0.00245867|-0.06276792|-0.00893952|-0.02184324|0.00170393|0.01057729|0.03752172|0.00244957|0.00030158|-0.00168444|-0.00002741|-0.00009054|-0.00004033|0.00006610|-0.00015398|0.00001464|0.00003072|0.00003014|-0.00004527|-0.00006833|0.00000291|-0.00001653|0.00000688|-0.00001348|0.00001582|-0.00000677|-0.00000747|0.00001301|-0.00047303|-0.00017884|0.00013377|0.00000082|0.00002370|0.00007938|-0.00112079|0.00042415|-0.00046262|0.00051035|0.00005137|0.00042897|0.06570311|-0.00002924|-0.00007744|0.00001183|-0.00016513|0.00014995|-0.00004815|0.00006048|0.00006106|0.00001143|0.00000060|0.00005460|0.00001673|-0.00014127|-0.00019178|-0.00016353|0.00089507|0.00163618|-0.00163588|0.00577471|0.00687802|0.03414443|-0.00189148|0.00203042|-0.00178663|-0.00076836|-0.00502609|0.00344737|-0.00789271|-0.07498142|-0.06107369|-0.00057329|-0.00457519|-0.01292495|-0.00061509|0.00103026|0.00172625|0.00002039|0.00003773|0.00001256|-0.00003116|0.00004962|-0.00002155|-0.00000920|-0.00001361|0.00001231|0.00002900|-0.00002270|0.00001501|0.00000624|0.00001762|-0.00000189|0.00001901|0.00001151|-0.00000297|0.00052309|0.00012141|-0.00031859|-0.00011766|-0.00003990|-0.00005041|0.00169922|0.00000725|0.00089921|-0.00009774|0.00024891|0.00000873|0.00161716|0.07769598|-0.00002357|-0.00008862|0.00001838|0.00003042|0.00017903|-0.00023691|0.00014475|0.00004102|0.00005654|0.00003166|0.00004613|-0.00005929|0.00063121|0.00040917|-0.00067075|-0.00018940|-0.00018678|0.00167716|-0.00437191|-0.00365645|-0.01965899|-0.00029276|-0.00000093|0.00178487|0.00162998|0.00328832|-0.00039281|-0.01870270|-0.06026754|-0.32285624|-0.00155773|-0.00402607|-0.01229325|-0.00010318|0.00016020|0.00137629|0.00002643|0.00004352|0.00001335|-0.00004590|0.00007678|-0.00000068|-0.00002021|-0.00000370|0.00003281|0.00007927|-0.00005174|0.00001193|0.00001057|0.00002529|-0.00000582|0.00000691|0.00001642|-0.00002879|-0.00077947|0.00019180|-0.00008078|-0.00030441|0.00005307|0.00001470|-0.00125184|0.00029680|-0.00022812|0.00048318|-0.00010301|0.00020345|0.02296122|0.06584964|0.35041812|-0.00016256|-0.00016190|-0.00011092|0.00110337|-0.00174496|0.00108783|-0.00069417|0.00015481|-0.00003044|0.00005307|-0.00022309|0.00011121|-0.00210089|0.00292909|-0.00079871|0.00178012|0.00265250|-0.00184490|0.00869937|0.00929822|0.00214600|0.00017296|0.00014621|0.00024040|0.00050125|0.00017904|-0.00018743|-0.18230611|-0.13965070|-0.01795065|-0.01779664|-0.02830114|-0.00574114|-0.00817833|0.00224742|0.00283088|-0.00007428|0.00007927|0.00007403|0.00004439|0.00003825|-0.00001525|0.00001066|-0.00000373|0.00001933|-0.00003345|0.00002118|-0.00009429|0.00000418|-0.00023162|-0.00004751|-0.00003777|-0.00005019|-0.00001186|-0.00002148|0.00040499|-0.00011101|0.00013375|-0.00011829|0.00009869|0.00001471|0.00012264|0.00013225|0.00034970|0.00027882|0.00006277|-0.00093334|-0.00100250|-0.00114910|0.19732143|0.00000976|0.00005807|-0.00003400|0.00018725|0.00077868|-0.00031012|0.00019953|-0.00023724|0.00003746|-0.00027105|0.00031721|-0.00030870|0.00419519|-0.00178855|0.00036208|0.00020391|-0.00566910|0.00404626|-0.02245160|-0.01953625|-0.00600919|-0.00105205|0.00009449|-0.00043213|-0.00125589|0.00092954|-0.00065352|-0.13935449|-0.21962039|-0.02109611|0.00763067|0.01036938|0.00158711|0.00346311|0.00161659|-0.00093461|-0.00001783|-0.00001919|0.00000176|-0.00000628|0.00001937|0.00001298|0.00000502|-0.00001650|0.00000194|-0.00009009|0.00005527|0.00000225|-0.00004506|0.00010901|0.00000656|0.00003433|0.00002007|0.00000838|0.00099135|0.00017105|-0.00020187|0.00020996|0.00022945|-0.00029322|-0.00005734|0.00049301|0.00011165|0.00080250|0.00071312|0.00060303|-0.00428630|-0.00541837|-0.00140132|0.15255998|0.23500566|-0.00004287|0.00002730|0.00006092|-0.00019705|0.00078715|-0.00004326|0.00032734|0.00002196|0.00001401|0.00007311|-0.00004838|0.00008861|-0.00115998|0.00028244|-0.00045220|-0.00050970|0.00462316|-0.00098572|0.01409183|0.01334683|0.00129878|0.00018527|-0.00042861|0.00046385|0.00089483|0.00046472|0.00041884|-0.02169699|-0.02474811|-0.06330440|0.00862464|0.01143002|0.00018907|0.00352639|-0.00196425|0.00068012|0.00000906|-0.00001793|-0.00001980|-0.00000138|-0.00003893|-0.00000204|0.00000058|0.00001264|-0.00001153|0.00008779|-0.00005105|0.00002036|0.00000850|0.00007320|0.00000038|-0.00002455|-0.00000412|-0.00000779|0.00002178|-0.00025111|0.00001712|0.00005238|-0.00001767|0.00002125|0.00011379|-0.00023090|0.00005908|-0.00037084|0.00006459|-0.00052038|-0.02468283|-0.02743090|-0.00129710|0.02154148|0.02386581|0.06286470|-0.00025576|-0.00000374|0.00003780|0.00187744|0.00004197|0.00137462|0.00034890|-0.00015639|0.00006887|0.00035438|-0.00129301|-0.00030055|-0.00570669|0.00080678|0.00148209|0.00209647|-0.00060217|0.00003679|-0.00781307|-0.00043103|0.00442976|0.00016337|0.00246506|-0.00043073|0.00061694|-0.00046571|0.00038812|-0.01070507|0.02358829|-0.02382333|-0.11185669|0.07992943|-0.07664047|0.01203891|-0.02590033|0.01589059|-0.00004692|0.00001205|0.00003800|-0.00013313|-0.00011359|0.00011858|0.00001258|-0.00004455|-0.00002724|0.00044951|0.00055307|-0.00051469|-0.00000576|0.00007850|-0.00002941|-0.00027755|-0.00018068|-0.00017524|0.00011470|-0.00004961|0.00015782|-0.00075542|0.00013176|-0.00035827|-0.00010528|0.00005583|-0.00007037|0.00004976|-0.00009772|-0.00019284|0.00198232|-0.00040423|0.00025058|0.00048495|-0.00084134|-0.00032167|0.11691060|-0.00035468|-0.00008839|-0.00016506|0.00271299|0.00045707|0.00025169|-0.00005606|-0.00019459|-0.00022707|0.00059324|-0.00146849|-0.00038647|-0.00722157|0.00264949|0.00324827|0.00146663|-0.00044758|-0.00058755|0.00165924|0.00039620|-0.00086750|-0.00026098|-0.00057762|-0.00006987|-0.00012181|0.00057364|0.00010545|0.00390333|-0.00518588|0.00564470|0.07263461|-0.17493508|0.10943276|0.01096811|-0.03489802|0.01825374|-0.00003298|0.00013428|0.00006346|-0.00008082|0.00029528|0.00019925|0.00010137|0.00001848|-0.00011736|-0.00120963|0.00012491|-0.00064130|-0.00007587|0.00005914|-0.00003460|-0.00045898|-0.00023598|-0.00009542|0.00003040|0.00003736|-0.00000422|0.00016097|-0.00002486|0.00012569|-0.00002301|-0.00001508|-0.00000441|0.00025227|0.00003769|0.00015003|-0.00034070|0.00003399|-0.00027287|0.00040098|0.00032027|-0.00027469|-0.07874459|0.20040917|0.00001795|0.00062203|-0.00023599|-0.00056392|0.00048589|0.00092683|0.00035546|0.00008455|0.00006702|-0.00002238|-0.00008802|0.00010536|0.00126159|-0.00246885|-0.00069997|-0.00047256|0.00038910|-0.00000359|0.00252356|-0.00024733|-0.00117828|0.00003375|-0.00043804|0.00051847|0.00016622|-0.00008214|0.00038890|0.00624163|-0.01227027|0.01008365|-0.07610124|0.11427565|-0.17539111|0.00282023|0.00298617|0.00425576|-0.00001889|-0.00019411|0.00006307|0.00015955|-0.00036722|-0.00030067|-0.00007352|-0.00021560|0.00012844|0.00074676|0.00024719|0.00001724|0.00002028|0.00000990|-0.00001442|0.00006764|-0.00000959|-0.00004778|-0.00009423|0.00002022|-0.00003611|0.00011906|-0.00001568|0.00016908|0.00010695|-0.00003681|0.00003058|0.00016231|0.00002266|0.00008904|-0.00068657|-0.00004368|0.00142348|-0.00075332|0.00043116|0.00007314|0.08023916|-0.12544252|0.18166740|-0.00002601|-0.00000467|0.00000367|0.00228063|-0.00128719|-0.00187240|-0.00039609|-0.00033721|0.00025616|-0.00029546|-0.00045779|0.00038372|-0.00390706|0.00423740|-0.00170795|0.00219914|-0.00058682|-0.00053648|0.00116345|-0.00209921|0.00082027|0.00008944|-0.00044608|-0.00038895|-0.00033593|0.00098804|-0.00041072|0.00388772|0.01349965|0.03407682|-0.06377758|-0.00282713|-0.01944185|-0.00472323|-0.02303193|-0.01778957|0.00017807|0.00015727|0.00009050|-0.00057997|0.00032391|0.00004203|-0.00009980|-0.00008590|0.00020372|-0.00005118|0.00018316|-0.00001530|-0.00005774|-0.00009046|0.00015799|-0.00012041|-0.00006686|0.00007430|0.00020848|0.00007191|0.00004503|0.00008777|-0.00001494|-0.00009131|-0.00012696|-0.00007469|-0.00013664|-0.00005750|-0.00009915|-0.00001398|-0.00654973|0.00309410|0.00250603|0.00166513|-0.00076327|-0.00055090|0.00016052|-0.00590247|-0.01625547|0.06918429|-0.00033424|0.00001964|-0.00018305|0.00283779|-0.00145890|-0.00142294|-0.00063793|-0.00016138|-0.00007964|-0.00020889|-0.00063990|0.00073458|-0.00578740|0.00517634|-0.00387569|0.00252939|-0.00096754|0.00070274|-0.00103877|-0.00063366|-0.00108969|-0.00021939|0.00035940|-0.00019250|0.00012837|0.00032637|0.00061898|-0.00077142|-0.00261645|-0.00982791|-0.00152488|-0.10329833|-0.09531389|-0.01330948|-0.03000326|-0.02411694|-0.00004458|0.00017752|0.00023673|-0.00003565|0.00032280|0.00003258|-0.00007620|-0.00014538|0.00018812|-0.00078449|-0.00005357|-0.00014752|-0.00006714|-0.00014340|0.00016758|-0.00020240|-0.00012627|0.00012474|0.00003592|0.00000243|0.00009594|-0.00009993|0.00003736|0.00008043|0.00001501|-0.00002635|0.00002061|0.00044909|0.00007835|0.00010473|0.00188621|0.00028200|-0.00061815|-0.00002528|0.00100535|0.00050682|0.00166597|0.01252459|0.02234534|0.01562033|0.11996224|-0.00007798|-0.00076296|-0.00014742|0.00087828|-0.00052446|-0.00018351|-0.00016256|-0.00008242|0.00019470|-0.00009801|-0.00016989|-0.00022480|-0.00064235|0.00153593|-0.00028291|0.00083739|-0.00051384|-0.00003758|-0.00099265|0.00002041|-0.00040034|-0.00027565|0.00021205|0.00008912|0.00005186|-0.00009858|0.00106243|-0.00091030|-0.00404902|-0.01166217|-0.01840146|-0.09695515|-0.28949286|-0.00296024|-0.00202765|0.01471787|-0.00007587|0.00039576|0.00015253|0.00004523|0.00050934|-0.00021282|0.00004818|-0.00012690|0.00001996|0.00012342|0.00017415|-0.00005660|-0.00001674|-0.00008761|-0.00003664|-0.00002622|-0.00002183|-0.00004723|-0.00010615|0.00001345|0.00001429|-0.00003923|0.00000554|0.00015674|0.00014946|-0.00000320|0.00009615|0.00033934|-0.00001068|0.00008992|0.00288730|-0.00065267|0.00077843|0.00050167|0.00059636|0.00037399|-0.00162798|-0.00828412|-0.02209954|0.02055126|0.11090800|0.30713830| 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| 64.6270 71.0184 144.8309 201.7492 254.0898 273.6297 303.1577 333.2218 379.4908 454.8100 496.0059 499.5250 553.0941 593.8208 702.8096 749.7044 790.5533 800.9725 842.6851 853.0084 887.2806 967.7743 981.3203 991.1690 1016.0004 1046.1968 1059.3005 1074.0850 1087.4245 1100.2698 1174.2173 1183.9392 1192.5544 1202.9241 1211.0878 1214.1029 1259.9132 1305.4529 1320.1921 1323.8977 1393.5898 1413.5314 1436.1520 1468.6014 1484.5228 1514.3358 1517.1777 1533.5002 1558.3340 1586.4816 1601.0943 1632.7663 1637.2822 1642.1258 1660.8733 1675.0292 1820.2475 1912.3999 3161.1869 3184.4759 3206.4198 3206.7077 3230.0283 3258.6144 3268.8742 3284.5973 3298.5511 3308.5494 3386.5660 3400.2031 3400.8378 3440.4125 3.6086 3.9447 3.2198 2.3761 2.0729 1.2460 2.3446 3.1303 1.9930 4.2949 2.7032 3.0737 3.6265 3.5042 3.7852 3.3524 2.7174 3.2530 2.5497 1.1945 1.5919 2.0533 1.8691 1.8143 2.4816 1.8022 2.5387 1.9034 1.3248 1.7334 1.4064 1.5274 1.6802 1.5068 1.9125 1.6960 2.1271 1.2808 1.9819 1.3584 1.9306 1.6350 2.1258 2.0583 1.4718 1.9383 1.7630 1.9479 1.2695 2.3959 1.0951 1.1080 1.0707 1.0562 1.4456 1.1317 6.7596 10.1022 1.0836 1.0657 1.0695 1.0363 1.0944 1.1033 1.1028 1.1046 1.0549 1.0621 1.1168 1.0923 1.1146 1.1048 0.0089 0.0117 0.0398 0.0570 0.0789 0.0550 0.1270 0.2048 0.1691 0.5234 0.3918 0.4519 0.6536 0.7280 1.1016 1.1101 1.0006 1.2296 1.0668 0.5121 0.7384 1.1330 1.0605 1.0502 1.5093 1.1622 1.6784 1.2938 0.9230 1.2364 1.1425 1.2614 1.4079 1.2846 1.6527 1.4730 1.9894 1.2860 2.0352 1.4028 2.2091 1.9247 2.5833 2.6156 1.9111 2.6189 2.3910 2.6988 1.8164 3.5530 1.6540 1.7404 1.6912 1.6780 2.3495 1.8708 13.1957 21.7682 6.3802 6.3674 6.4782 6.2785 6.7270 6.9027 6.9429 7.0213 6.7625 6.8501 7.5466 7.4403 7.5955 7.7049 1.3286 1.2535 2.1846 0.5761 1.3868 1.0582 0.3347 1.5139 1.5095 0.8360 0.6245 0.8152 4.1537 2.9034 3.3202 1.5873 1.8423 12.1318 8.8498 1.9592 54.4552 2.9937 4.4578 6.0246 9.4155 14.8580 10.3430 3.4999 1.0829 5.5804 1.2447 0.7372 6.1565 0.3387 3.6691 11.9044 1.0948 1.7646 45.6319 6.1017 30.9638 11.9084 20.5218 16.0746 49.9641 34.8862 10.9539 32.7610 6.0130 88.6915 0.7959 0.9690 1.1575 1.6830 5.0970 1.4489 26.5179 551.3084 61.5442 44.6428 15.8347 43.9692 70.1857 41.1179 39.0580 38.9207 29.0461 28.5857 0.5933 8.0711 23.5062 6.2711 0.4663 0.7765 1.3757 0.6892 0.3569 0.6353 2.1491 3.3260 0.5972 8.3098 0.5308 0.1834 5.3212 3.1783 5.5878 8.2952 7.0129 7.0671 6.5852 2.1101 7.0598 2.0004 15.2836 3.0268 4.8958 8.8930 8.9256 7.8422 5.8848 7.2481 5.9970 5.7947 5.9706 4.9010 6.5917 4.4395 33.2083 2.9301 4.4499 7.8311 8.1416 5.8015 7.0472 37.5874 11.9587 7.5742 7.5854 8.3981 1.9621 13.6124 13.5292 14.3221 15.8341 12.2891 15.5438 10.4412 38.5208 242.4915 131.3826 72.0181 71.2486 130.8461 91.3165 65.9163 85.7952 49.1653 45.3412 165.5034 72.1081 100.3006 69.0405 117.3261 0.5825 0.6335 0.7102 0.3630 0.7429 0.7147 0.5790 0.3591 0.6052 0.3043 0.4228 0.2339 0.5744 0.7405 0.1984 0.2512 0.1601 0.7428 0.3343 0.6672 0.7335 0.3429 0.7496 0.7213 0.5013 0.7360 0.6343 0.7375 0.7373 0.6481 0.4994 0.5724 0.6916 0.5718 0.2716 0.5497 0.4283 0.7465 0.5424 0.6583 0.6591 0.2376 0.7499 0.1482 0.5521 0.2254 0.3549 0.4283 0.4791 0.4666 0.7227 0.6609 0.7173 0.7067 0.3827 0.7304 0.1824 0.2968 0.3608 0.1929 0.3099 0.0237 0.2576 0.6474 0.7456 0.6554 0.6526 0.0445 0.7497 0.4412 0.7077 0.1911 0.7362 0.7757 0.8306 0.5327 0.8525 0.8336 0.7333 0.5284 0.7540 0.4666 0.5943 0.3791 0.7297 0.8509 0.3311 0.4016 0.2760 0.8524 0.5011 0.8004 0.8463 0.5107 0.8569 0.8381 0.6678 0.8479 0.7762 0.8489 0.8488 0.7865 0.6661 0.7281 0.8177 0.7276 0.4272 0.7094 0.5997 0.8548 0.7033 0.7939 0.7945 0.3840 0.8571 0.2582 0.7114 0.3679 0.5239 0.5997 0.6478 0.6363 0.8390 0.7958 0.8354 0.8281 0.5536 0.8442 0.3086 0.4577 0.5302 0.3235 0.4732 0.0464 0.4096 0.7860 0.8543 0.7919 0.7898 0.0852 0.8569 0.6123 0.8289 0.3208 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 6 6 6 6 6 7 6 6 6 6 6 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 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 1.00783 856.17730 2620.56203 3092.44957 0.99997 0.00543 -0.00514 -0.00543 0.99999 0.00013 0.00515 -0.00010 0.99999 1 0.10116 0.03305 0.02801 2.10791 0.68868 0.58360 92.98 102.18 208.38 290.27 365.58 393.69 436.18 479.43 546.00 654.37 713.64 718.71 795.78 854.38 1011.19 1078.66 1137.43 1152.42 1212.44 1227.29 1276.60 1392.41 1411.90 1426.07 1461.80 1505.24 1524.10 1545.37 1564.56 1583.04 1689.44 1703.42 1715.82 1730.74 1742.49 1746.82 1812.73 1878.26 1899.46 1904.79 2005.06 2033.76 2066.30 2112.99 2135.90 2178.79 2182.88 2206.36 2242.10 2282.59 2303.62 2349.19 2355.68 2362.65 2389.63 2409.99 2618.93 2751.52 4548.24 4581.75 4613.32 4613.74 4647.29 4688.42 4703.18 4725.80 4745.88 4760.26 4872.51 4892.13 4893.05 4949.99 0.242593 0.252419 0.253364 0.207003 -495.440413 -495.430586 -495.429642 -495.476003 1.554956D-04 MUNgauss RevisionA2.1 retrievium 03-Jul-2022 GDB_13 Smiles: CC1C=CC2=NC3(CC3)CCN12 RHF 6-31G(d) (6D,10F) C1 162.115699 |X|Y|Z| 21.168704 38.011502 13.517937 22.156777 11 6 7 9 2 |36.858105| |12.448597|36.858105| |7.511229|12.610846|36.858105| |5.515671|8.153434|14.433646|36.858105| |5.495614|8.121487|8.357805|12.899760|36.858105| |4.141249|5.336753|5.462777|7.801850|15.104063|53.358707| |3.779040|4.567170|4.200015|5.131019|8.324638|18.053058|36.858105| |2.919675|3.374809|3.233313|3.873509|5.270463|10.450805|12.762835|36.858105| |3.285899|3.639284|3.402701|4.014508|5.575317|10.391117|12.672560|12.684524|36.858105| |4.123114|5.046552|4.163244|4.608268|7.044473|10.395823|12.544070|7.337035|7.297192|36.858105| |5.998139|7.402750|5.144383|5.199386|7.762050|8.910968|7.616076|4.906885|5.532154|12.459766|36.858105| |7.648937|13.160330|8.331816|8.373113|13.894559|10.957742|6.950205|4.510942|4.947428|7.923128|13.211226|53.358707| |17.544543|8.804781|6.756206|4.795987|4.431447|4.716742|3.146382|2.526290|2.780235|3.385895|4.548563|7.587174|0.500000| |17.555292|8.778799|5.482685|4.435106|4.766178|5.168849|3.691264|2.876946|3.257871|4.246030|6.436509|9.291458|0.301880|0.500000| |17.568178|8.807688|6.877024|5.564536|5.544987|5.833309|3.863605|2.996332|3.493231|3.979259|5.526980|9.447286|0.300170|0.300505|0.500000| |8.888179|17.468092|8.873988|6.237545|6.211703|6.125537|4.035504|3.094261|3.216529|4.703713|6.556419|12.396211|0.213899|0.212736|0.173580|0.500000| |6.467733|8.388644|17.740838|8.887394|5.726210|5.766428|3.401952|2.747771|2.869253|3.383353|4.053944|7.815193|0.187437|0.133716|0.164849|0.199253|0.500000| |4.304342|5.628458|8.833917|17.782430|8.497593|9.275483|4.525791|3.669143|3.710365|3.897812|4.120033|7.876018|0.109033|0.099499|0.123575|0.130610|0.201144|0.500000| |2.663886|3.040435|2.858262|3.297157|4.308233|7.642145|8.581914|17.687270|8.568398|6.867068|4.500081|5.368472|0.064696|0.074329|0.074737|0.079610|0.068560|0.086526|0.500000| |2.695782|3.124853|3.130907|3.842424|4.929082|9.905232|8.683268|17.726996|8.594584|5.486404|4.069555|5.458845|0.065879|0.072477|0.077227|0.079688|0.074862|0.105681|0.291848|0.500000| |3.217485|3.490570|3.395620|4.074478|5.352818|9.797025|8.619564|8.587794|17.726960|5.454091|4.677953|6.182028|0.076329|0.086687|0.097935|0.084249|0.080317|0.107689|0.170857|0.211250|0.500000| |3.173500|3.383332|3.062037|3.447301|4.595390|7.609259|8.548038|8.563830|17.680198|6.825883|5.392228|6.072589|0.074697|0.090207|0.093327|0.084344|0.072813|0.087749|0.209956|0.170747|0.292063|0.500000| |3.778471|4.815293|4.081616|4.489152|6.421093|9.211763|8.924212|6.407410|5.542486|17.527670|8.886495|9.469584|0.088929|0.106706|0.098424|0.132630|0.093291|0.106888|0.176679|0.143528|0.122768|0.141811|0.500000| |3.588207|4.087934|3.410220|3.674064|5.096158|7.590693|8.819948|6.854146|7.002033|17.563999|8.836034|7.756647|0.083508|0.106056|0.097081|0.108193|0.079752|0.089162|0.202263|0.139090|0.141711|0.211214|0.301951|0.500000| |5.811171|6.952003|4.673605|4.431674|5.817019|6.731526|5.539857|4.027243|4.302278|8.802440|17.539093|12.505264|0.127363|0.186647|0.138158|0.197794|0.106621|0.099647|0.107681|0.095240|0.103208|0.120005|0.219865|0.206273|0.500000| |6.048994|6.247921|4.532494|4.539178|6.292887|7.638832|6.647131|4.579214|5.702351|8.811515|17.508156|12.369084|0.125602|0.190899|0.166335|0.148663|0.102560|0.103037|0.116673|0.105430|0.136781|0.165550|0.174137|0.218213|0.301848|0.500000| 495.296500 -2592.134536 953.273766 -70.324754 -1213.889024 718.206018 -495.683007 2.000780 4071C00000000002 41965E040BFFFFFD 4130446008BA2E89 410237F7FFFFFFFD C037000000000000 41B4BCC333FFFFFF