Version2.5 2022-04-09T22:09:45Z 10.1021/ja902302h Gaussian16 RevisionB.01 DOC1ROB 23-Feb-2022 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) GDB_13 Smiles: C1C2CN1CC1=C(NC=C1)C=C2 RHF 6-31G(d) (6D,7F) C1C2CN1CC1=C(NC=C1)C=C2 C1[X(C10H12N2)] 66 C1 204 C1C2CN1CC1=C(NC=C1)C=C2 c1cc2c([nH]1)C=CC1CN(C2)C1 C1C2CN1Cc3cc[nH]c3C=C2 InChIKey=JDPMTKWDSQGMHS-UHFFFAOYSA-N InChI=1S/C10H12N2/c1-2-10-9(3-4-11-10)7-12-5-8(1)6-12/h1-4,8,11H,5-7H2 InChI=1/C10H12N2/c1-2-10-9(3-4-11-10)7-12-5-8(1)6-12/h1-4,8,11H,5-7H2 C1C2CN1CC1=C(NC=C1)C=C2 C01[X(C10H12N2)] 66 C1 204 C1C2CN1CC1=C(NC=C1)C=C2 C1C[C@@H]2[C@@H](N1)CC[C@H]1C[N@@](C2)C1 C1C[C@H]2CN3CC(CC[C@@H]2N1)C3 InChIKey=ALOPPZYSUNQPCU-UWVGGRQHSA-N InChI=1S/C10H18N2/c1-2-10-9(3-4-11-10)7-12-5-8(1)6-12/h8-11H,1-7H2/t9-,10-/m0/s1 InChI=1/C10H18N2/c1-2-10-9(3-4-11-10)7-12-5-8(1)6-12/h8-11H,1-7H2/t9-,10-/m0/s1 4.940660516625D+02 -2.551989767348D+03 699.1789764327 -494.4806077 1-A 1820.5909 43 161 204 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -15.60026 -15.53022 -11.25446 -11.24907 -11.24231 -11.23614 -11.23613 -11.23416 -11.22566 -11.22444 -11.21266 -11.19905 -1.29615 -1.24589 -1.08147 -1.05893 -1.01733 -0.94892 -0.91590 -0.90296 -0.80304 -0.77612 -0.76125 -0.72208 -0.68667 -0.66445 -0.61832 -0.61464 -0.61341 -0.57997 -0.57306 -0.55374 -0.54870 -0.54269 -0.52423 -0.49694 -0.47577 -0.45762 -0.45369 -0.38588 -0.33480 -0.33052 -0.26802 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.13865 0.21928 0.22542 0.23889 0.25652 0.28228 0.28502 0.29112 0.30330 0.30853 0.32675 0.33451 0.34545 0.34557 0.36195 0.36904 0.41049 0.41629 0.43142 0.43895 0.46503 0.46626 0.48693 0.52722 0.55837 0.58763 0.61040 0.66559 0.68382 0.72461 0.74034 0.75813 0.76388 0.78072 0.79421 0.80621 0.81889 0.82030 0.85355 0.86668 0.86734 0.87589 0.89889 0.90019 0.90699 0.92015 0.94238 0.94657 0.98860 0.98942 1.03980 1.04787 1.06579 1.07245 1.10161 1.12018 1.12870 1.13092 1.14485 1.14955 1.15220 1.15754 1.16501 1.18391 1.19360 1.20266 1.21712 1.22789 1.25502 1.25645 1.28656 1.28771 1.31038 1.33161 1.36728 1.40826 1.44762 1.46278 1.52299 1.54160 1.56672 1.58735 1.61611 1.63590 1.66573 1.67431 1.72426 1.74445 1.76885 1.77755 1.81140 1.81309 1.86371 1.89712 1.90281 1.98981 2.00179 2.06634 2.09197 2.11652 2.16128 2.18190 2.18385 2.22036 2.25873 2.28375 2.30309 2.30971 2.34963 2.36561 2.40843 2.41573 2.42124 2.45046 2.45128 2.48732 2.50362 2.53126 2.53928 2.56612 2.57397 2.59247 2.59966 2.64624 2.66190 2.70294 2.70920 2.77568 2.78343 2.78519 2.85538 2.85964 2.88973 2.94571 2.96071 2.97874 3.03080 3.03298 3.07346 3.10071 3.13882 3.17432 3.22372 3.28647 3.29906 3.37122 3.46072 3.55429 3.72390 4.40555 4.54330 4.55256 4.60454 4.64785 4.71363 4.76211 4.82766 4.84795 4.99164 5.14457 5.22432
11.06596
-1.3321 2.3406 0.0006 2.6931 |XX|YY|ZZ|XY|XZ|YZ| -63.3628 -67.3952 -73.9754 -0.5180 -0.0001 0.0004
|XX|YY|ZZ|XY|XZ|YZ| 4.8817 0.8493 -5.7309 -0.5180 -0.0001 0.0004
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| -27.7215 17.5217 -0.0032 -20.9772 21.7587 -0.0014 8.2034 -4.1768 0.0085 -0.0028
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY| -1388.7084 -675.9985 -201.1202 -27.5677 0.0056 -4.4880 0.0087 -0.0036 -0.0015 -353.8505 -308.3483 -160.0269 -0.0003 0.0029 -10.0305
0 |0.68055511|-0.07112676|0.46630185|-0.01260426|0.02869431|0.68159361|-0.09499552|0.01237648|0.00865395|0.68309621|0.00981224|-0.10611237|0.05517708|0.05210962|0.62166922|0.01933518|0.07954814|-0.13681040|-0.05918655|-0.02898422|0.43033408|0.00934679|-0.00446394|-0.02158301|-0.11023730|-0.01705190|-0.02483418|0.69471353|-0.00823755|-0.00394018|-0.01644956|-0.02239133|-0.13017099|-0.07745700|-0.06616405|0.46799568|-0.02151934|0.00207001|-0.09403295|-0.01390275|-0.05364529|-0.09756145|0.02067434|0.03684043|0.66585119|-0.11888591|-0.06898473|-0.02865817|-0.00135023|-0.04014000|0.00025881|-0.10603396|-0.01938583|0.01687120|0.53383588|-0.02679503|-0.14387879|-0.04549628|-0.05082996|-0.08049345|0.01597468|-0.00642260|-0.11576849|0.04681581|0.21448685|0.42859234|-0.01292535|-0.10356709|-0.13905866|0.00120692|0.01379265|-0.01911593|-0.00378082|0.11613265|-0.18013804|-0.02243978|-0.03586267|0.52558450|-0.01922173|-0.00214296|-0.00321738|0.00269474|0.00428210|-0.00115402|-0.00271624|0.00066815|0.00936140|-0.25450203|-0.08762391|0.03411622|0.57236495|-0.02576763|-0.01532163|0.00332539|-0.00143082|-0.00927463|0.00102113|-0.01852058|-0.01408206|0.00900667|-0.03661960|-0.08827414|0.00414811|0.05255184|0.59577848|-0.02737441|-0.00154979|0.01147144|-0.00064533|-0.00014461|-0.00094873|0.03734073|0.00514741|-0.00628008|0.02956467|0.01454868|-0.13291652|0.01779017|-0.00298175|0.67921197|0.00095523|0.00245995|0.00021135|-0.00055952|0.00030043|0.00020968|0.00136252|0.00194210|-0.00112714|-0.03637163|0.01897769|0.00636599|-0.16471149|0.05840605|0.01123118|0.67578627|0.00064439|0.00414843|0.00288531|-0.00196906|0.00185451|0.00028992|-0.00039019|0.00339209|-0.00363052|-0.01624676|0.01703682|0.00207558|0.05406542|-0.17330105|-0.00310277|-0.10892213|0.78304437|-0.00196927|0.00016737|-0.00016790|0.00041426|-0.00017159|0.00054225|0.00142198|-0.00175892|0.00018227|0.00949838|-0.00511521|0.00160938|0.01163733|-0.00400961|-0.08623625|-0.08917338|-0.03032414|0.21296425|-0.00119706|-0.00010348|-0.00096320|0.00184023|-0.00186485|-0.00171744|-0.00027869|-0.00006444|0.00132495|0.00322689|-0.00229990|-0.00042983|0.01008869|0.01913533|-0.00403792|-0.13255038|0.02119588|0.00889642|0.67552652|0.00075567|0.00055223|-0.00062575|0.00220306|-0.00149897|-0.00097568|0.00111528|0.00055158|0.00016675|-0.00092841|0.00098512|0.00011232|-0.00002633|-0.00881025|0.00065716|0.03345480|-0.38516115|0.02031672|0.06909305|0.83004260|-0.00091852|0.00042553|0.00056060|-0.00208077|-0.00014539|-0.00694954|0.00110194|-0.00046959|-0.00035286|-0.00055185|0.00039210|0.00019609|-0.00234140|-0.00324641|-0.00061023|0.00781998|0.02283404|-0.08341865|-0.11004070|-0.07313674|0.19650204|0.00159645|0.00114759|0.00037439|-0.00232285|-0.00026010|0.00048008|0.00111791|0.00106991|-0.00132711|-0.00303985|-0.00172495|0.00076311|0.00763707|0.00233874|-0.00049136|-0.03149783|0.05986242|0.00385199|-0.29332039|0.05166057|0.04214208|0.73869644|-0.00042421|-0.00057249|-0.00093202|-0.00002364|-0.00033736|0.00002740|-0.00008130|-0.00036473|0.00103024|0.00206912|0.00199525|-0.00060452|-0.00575411|-0.00618105|0.00228226|0.01079377|-0.07575473|0.00571457|0.04843758|-0.13435559|-0.00369520|-0.09440857|1.07893520|-0.00005694|-0.00042591|-0.00054381|0.00046101|0.00007609|-0.00017572|-0.00065608|-0.00003301|-0.00026810|0.00042779|0.00017072|-0.00015458|0.00023334|0.00063036|0.00618202|0.00818463|-0.00434159|0.01204508|0.04237951|-0.00434058|-0.07317291|-0.12532555|-0.06943471|0.11598970|0.00005720|-0.00009002|0.00010214|0.00109506|0.00038499|-0.00029262|0.00000894|-0.00011868|-0.00009182|-0.00168084|0.00202623|0.00030493|-0.00433883|-0.00863224|0.00197773|-0.06066781|-0.00127622|0.01533790|-0.08087389|-0.01152210|0.02076560|-0.21561775|-0.11368072|0.04168971|0.96537601|-0.00123363|-0.00041685|0.00083664|0.00223174|0.00052843|-0.00051472|-0.00145244|-0.00051450|-0.00020440|-0.00056994|0.00118286|0.00007295|-0.00679489|-0.00000530|0.00153202|0.06923799|0.04459075|-0.01689898|-0.04198750|-0.03517228|0.01309047|-0.11078660|-0.29185969|0.04321550|-0.08970909|0.73414351|0.00012045|0.00008661|-0.00008606|-0.00045729|-0.00014102|-0.00006819|0.00011102|0.00004137|0.00005884|0.00053639|-0.00045774|0.00062671|0.00181155|0.00190682|0.00102633|0.00907461|-0.00247734|0.01218340|0.02348209|0.00688202|0.01031514|0.04141643|0.04375692|-0.07344090|-0.15971095|-0.03404851|0.18082192|-0.00074588|0.00045236|0.00127344|0.00146516|0.00017395|-0.00025535|-0.00130319|0.00028194|-0.00103937|-0.00165526|0.00252997|0.00037142|-0.02637082|-0.00243996|0.00604617|-0.25843752|-0.02050873|0.03867745|0.00690430|-0.09090490|0.00936983|0.00137702|0.04361596|-0.00058422|-0.25303251|0.14643156|0.02318645|0.63215908|-0.00045395|-0.00104298|-0.00092349|-0.00040039|-0.00020792|0.00012375|-0.00006601|-0.00084326|0.00114725|0.00730088|-0.00351927|-0.00106540|0.02364277|0.01477794|-0.00595604|-0.06966901|-0.15253729|0.02086305|-0.01510978|-0.02834433|0.00679483|-0.01885632|-0.10820453|0.01500791|0.18241694|-0.34563527|-0.01329438|-0.01837494|0.97877325|0.00033968|-0.00012010|-0.00050002|-0.00020798|0.00000743|0.00031723|0.00000719|0.00008751|-0.00014543|-0.00005509|-0.00009175|0.00128219|0.00372197|-0.00062289|0.00144439|0.04306275|0.01081694|-0.08790192|0.00264165|0.02228062|0.01073343|0.00493582|0.00223835|0.01610971|0.01998835|-0.00593293|-0.07944382|-0.09875545|-0.07075850|0.16755541|-0.00125422|-0.00280845|0.00191447|-0.01974741|0.00897129|0.00393377|-0.00172376|-0.00278702|-0.00041876|-0.00066351|-0.00113079|0.00044057|0.00117299|0.00077893|-0.00105008|0.01210187|-0.01223880|-0.00106386|-0.16884824|-0.03970840|0.02504878|-0.04511819|-0.04127076|0.01274303|-0.00509049|0.00966943|0.00056389|0.00434754|0.00245838|-0.00008618|0.95790528|0.00375370|0.00096005|-0.00033893|0.02589005|0.01023060|-0.00590007|0.00359164|0.00098573|-0.00116373|-0.00213319|-0.00143078|0.00065221|0.00347813|0.00157997|-0.00117531|-0.02378939|-0.02222420|0.00699125|-0.08751150|-0.21561197|0.03145119|-0.00691291|0.00563286|0.00083903|0.00799607|0.00917888|-0.00228098|0.00882456|-0.00874428|-0.00058376|-0.01950953|0.65854197|0.00010694|-0.00001989|0.00065261|0.00241796|-0.00243969|0.00315426|0.00023624|0.00115932|0.00109078|0.00053018|0.00044770|0.00085474|-0.00128946|-0.00062258|-0.00330288|-0.00004166|0.00461296|0.00116559|0.02932397|0.02169777|-0.07159360|0.00968301|0.00786912|-0.00347312|0.00070670|-0.00262800|0.00195666|-0.00065312|0.00071777|0.00505079|-0.16252574|-0.04115481|0.19074227|0.00118600|0.00804937|-0.00554350|-0.17337875|0.06131329|0.01294753|0.01225932|0.00145198|0.00234258|-0.00287803|0.00147309|0.00087674|0.00037775|-0.00257927|0.00034611|0.00118162|0.00912635|-0.00107310|-0.02311464|-0.02286105|0.00803688|0.00550523|-0.00069844|-0.00071510|-0.00047758|-0.00254012|0.00037879|-0.00280184|0.00148514|0.00039073|-0.58997246|-0.00598644|0.10737386|0.91868188|0.01099680|-0.02096571|0.00203634|0.08083166|-0.19190217|-0.00676740|0.01412393|-0.02461056|-0.00293115|-0.00182503|0.00124319|0.00044422|-0.00298942|-0.00093593|0.00077834|0.00238193|0.00220257|-0.00069146|-0.03043182|0.00870713|0.00599567|0.00213336|-0.00352289|0.00003267|-0.00394532|-0.00476477|0.00125257|-0.00356747|0.00168002|0.00055958|-0.02950240|-0.13852762|0.01242576|0.03344057|0.68194717|-0.02474535|0.01939437|0.00503447|0.01120246|-0.00279174|-0.08514962|0.02015063|-0.01710204|-0.00240526|0.00117002|-0.00022767|0.00184116|0.00038343|0.00069460|0.00080791|-0.00047083|-0.00206921|0.00019707|0.00871483|0.00444816|0.00404271|-0.00096574|0.00061088|0.00184782|0.00050472|0.00096784|0.00007776|0.00084070|-0.00047464|-0.00037580|0.10947751|0.00762190|-0.09008235|-0.15510922|-0.05227340|0.21046792|-0.16429538|0.04501463|0.13112946|-0.00102186|0.00102120|-0.00048609|-0.00153462|-0.00184666|-0.00100764|0.01342247|-0.00471384|-0.01687993|0.00243952|-0.00079869|-0.00005058|-0.00041123|0.00064157|-0.00025441|-0.00098770|0.00035770|-0.00044828|-0.00012698|-0.00004266|-0.00014080|0.00005786|0.00014511|-0.00009813|0.00019501|-0.00016292|0.00008256|0.00017200|-0.00014665|-0.00037473|0.00074528|0.00093713|-0.00065638|0.16841166|0.04241974|-0.08590340|-0.05967790|-0.01711162|0.00960447|0.01752829|0.00009587|-0.00429309|0.00177783|0.01496166|-0.00926291|-0.02365898|0.00254638|0.00333012|-0.00070635|-0.00057779|0.00024876|0.00051195|0.00034126|0.00023791|0.00023775|0.00010351|0.00006769|0.00001996|-0.00001968|-0.00018684|-0.00001870|-0.00030712|0.00015831|0.00010516|0.00060443|0.00001458|-0.00020132|-0.00162798|0.00220405|-0.00076949|-0.04990693|0.08399126|0.12358291|-0.06097034|-0.22788253|0.01198453|-0.00554746|-0.01412282|-0.00161711|-0.00040527|-0.00248954|0.00765111|-0.00735246|-0.01598082|0.00259681|0.00164766|0.00010058|-0.00063888|-0.00040335|0.00032921|-0.00073113|-0.00024752|0.00003176|0.00016971|0.00019497|0.00015982|0.00007647|-0.00031118|-0.00003694|-0.00041091|0.00031382|0.00035069|-0.00039636|0.00075502|0.00024656|0.00210324|-0.00137170|0.00190835|-0.13665549|0.07002171|0.24778235|-0.29090077|0.07973628|-0.07548059|0.00615166|-0.00219895|0.00278840|-0.00191976|-0.00048236|0.00061139|-0.00947309|-0.00603461|-0.00748971|0.00060781|0.00062545|-0.00306204|0.00011738|-0.00012328|0.00001764|0.00024800|-0.00015537|0.00011238|-0.00028462|0.00019003|-0.00003647|-0.00013085|0.00006481|0.00005757|0.00006241|0.00017349|-0.00000970|0.00035097|-0.00040160|-0.00016469|0.00029109|-0.00000050|0.00075799|-0.01812672|0.00772260|-0.00654445|0.31249356|0.08291744|-0.08565029|0.03094643|0.02455956|-0.00806737|0.00385393|-0.00159074|-0.00050854|-0.00051281|-0.03175728|0.00744502|-0.01027016|-0.00118235|-0.00019972|-0.00468733|-0.00042670|-0.00101994|-0.00003637|-0.00011181|-0.00011667|0.00014700|-0.00046726|0.00015496|0.00006541|0.00011704|0.00043074|-0.00004551|0.00023038|0.00023747|0.00006128|0.00011337|-0.00093306|0.00006530|-0.00083005|-0.00094977|0.00426113|0.00880369|-0.00009965|0.00352124|-0.07996674|0.08815853|-0.07571287|0.02923660|-0.09167969|-0.02166924|0.00865827|-0.00386861|-0.00012552|-0.00124341|-0.00075974|-0.01942384|-0.00424797|-0.00618792|0.00006360|0.00124990|-0.00284059|-0.00021593|-0.00038714|0.00002713|-0.00009371|-0.00023421|-0.00008433|0.00023822|0.00018240|0.00013071|-0.00010985|-0.00044035|0.00001312|-0.00047706|0.00029540|0.00008280|-0.00003084|0.00088268|0.00008858|0.00074262|0.00009251|-0.00383463|0.02637868|-0.00850486|0.01297829|0.09054221|-0.02573909|0.09441527|0.00364973|0.00129135|-0.00146150|-0.30257088|-0.09017126|0.05648950|-0.00651639|0.00049288|0.00293340|0.00094262|-0.00144084|0.00014190|0.00045291|0.00023277|0.00008865|0.00003414|0.00001746|-0.00001565|0.00051119|0.00015880|-0.00013358|-0.00001147|-0.00003617|0.00001616|-0.00012905|-0.00012997|0.00003257|-0.00008407|0.00002086|0.00002387|-0.00081579|0.00539859|-0.00017165|-0.02200159|-0.01107056|0.00566564|0.00047485|0.00016645|-0.00050914|0.00125686|-0.00076698|0.00056729|0.32294493|-0.01682649|-0.00416537|0.00040063|-0.09476380|-0.09550525|0.02204533|-0.02005275|-0.00397949|0.00830952|-0.00177543|-0.00890482|0.00124565|0.00165570|-0.00065067|-0.00019149|0.00007537|-0.00007961|-0.00001156|-0.00005178|-0.00042376|0.00004222|-0.00036161|0.00040186|0.00004269|0.00006987|0.00020917|-0.00003520|0.00015567|0.00013867|-0.00004054|0.00213519|-0.00485222|0.00006146|0.03234008|0.01100540|-0.00749645|-0.00022976|-0.00171264|0.00072351|0.00052587|0.00116643|0.00001120|0.09667037|0.10673297|0.02855982|0.00288379|-0.00296645|0.05690065|0.02110920|-0.07854390|-0.02363950|-0.00206255|0.00701750|0.00017198|0.00117893|0.00086984|-0.00003859|0.00009851|0.00098800|-0.00002075|0.00000030|-0.00003081|-0.00011423|-0.00000069|-0.00004789|0.00004504|-0.00002394|0.00004412|0.00001478|0.00000542|-0.00002943|0.00001166|-0.00001290|0.00004043|0.00012046|-0.00060480|0.00074109|0.00179222|0.00135825|0.00043634|0.00038738|0.00342022|-0.00255670|-0.00105727|-0.00151931|0.00205913|-0.06297671|-0.02420318|0.07147748|-0.00187476|-0.00003536|-0.00015626|0.01083474|-0.00616199|-0.00784333|-0.21077212|0.07833394|0.11434679|0.00168646|-0.00339487|0.00448333|0.00113079|0.00033858|0.00116581|0.00018535|0.00006274|-0.00009932|0.00019835|-0.00007910|-0.00021597|-0.00028165|0.00012353|0.00019351|-0.00010178|0.00020736|-0.00004966|0.00023181|0.00003518|-0.00005864|0.00040280|-0.00064923|0.00015781|-0.00078609|-0.00035034|-0.00185023|0.00004984|0.00045419|0.00009667|0.00008112|0.00017099|0.00000678|0.00154043|0.00069256|0.00111020|0.21882688|-0.00119761|-0.00014961|0.00098053|0.02409256|-0.01089733|-0.01310598|0.08059196|-0.10261315|-0.06911254|-0.02231798|0.01059279|0.01732193|0.00047897|0.00030184|0.00418382|-0.00030950|-0.00089979|0.00034639|-0.00015235|-0.00009151|-0.00008839|-0.00047312|0.00012265|0.00013209|0.00012951|0.00049358|-0.00009355|0.00025771|0.00015626|-0.00019175|0.00011166|-0.00105308|0.00008854|-0.00271850|-0.00172270|-0.00383489|0.00039669|0.00091506|0.00001904|0.00010314|0.00024160|-0.00020012|-0.00016034|0.00145035|0.00179513|-0.08260251|0.10377501|0.00078288|0.00124760|-0.00116471|0.01152765|-0.00627934|-0.00571687|0.11409240|-0.06629019|-0.15481759|0.02040081|0.00218645|-0.02050453|-0.00181099|-0.00209290|-0.00386480|0.00019574|0.00055976|-0.00016057|-0.00000561|0.00028638|-0.00005997|0.00002985|-0.00024104|0.00015891|0.00012036|0.00029610|-0.00007767|0.00038410|-0.00036892|-0.00000619|-0.00008987|-0.00046820|0.00015709|-0.00154910|-0.00031756|-0.00198454|-0.00048007|-0.00064644|-0.00071506|-0.00033218|-0.00001610|-0.00061353|-0.00032387|-0.00017317|0.00149130|-0.13094746|0.06517489|0.17244724|-0.00066809|-0.00134168|0.00056224|-0.00643123|0.00214331|-0.00254017|-0.26935526|0.03811353|-0.12492466|0.01151028|-0.00000504|0.00445580|0.00113306|-0.00150010|-0.00013694|0.00002307|0.00079653|0.00025924|-0.00042918|0.00050603|0.00056576|-0.00009319|-0.00007652|0.00026628|0.00004310|0.00026897|0.00001441|0.00035618|-0.00027491|-0.00003112|0.00045255|-0.00035902|0.00035310|0.00039855|0.00152764|0.00100055|0.00020609|0.00031345|-0.00000148|0.00003675|0.00034550|0.00007573|0.00011561|-0.00065835|-0.00128677|-0.02110294|0.00381906|-0.01323342|0.28316105|-0.00032764|-0.00442336|-0.00146885|-0.02536773|0.00751703|-0.01225499|0.03654409|-0.07139106|0.02485394|0.01998242|-0.00464433|0.01437889|0.00199538|0.00303427|-0.00063983|-0.00059845|0.00022446|-0.00028945|0.00035004|0.00020091|-0.00045708|0.00007123|0.00003235|-0.00003374|-0.00002366|-0.00013168|0.00004434|-0.00024003|0.00010808|0.00003759|0.00069622|-0.00009048|-0.00003061|-0.00150075|0.00258332|0.00132764|0.00025273|0.00091328|-0.00025912|0.00055806|0.00094068|0.00013430|-0.00119505|-0.00242654|-0.00321614|0.01311259|0.00064305|0.00694821|-0.04402663|0.06718619|0.00090818|0.00131805|-0.00322593|-0.01093748|0.00150976|-0.00662868|-0.11700589|0.02529673|-0.13729487|-0.02361701|0.00616626|-0.01869054|-0.00339553|-0.00160119|0.00170407|0.00087899|0.00009119|-0.00007828|0.00086614|-0.00000769|-0.00048725|-0.00007065|-0.00014879|0.00016109|-0.00011895|0.00024367|-0.00007690|0.00047204|-0.00019374|0.00023899|0.00021395|-0.00061731|0.00007316|-0.00126267|0.00078947|0.00187594|-0.00052632|-0.00019115|-0.00088908|-0.00052497|-0.00047613|-0.00072774|-0.00037726|-0.00054823|-0.00148339|0.01895685|-0.00340342|0.01520556|0.13466898|-0.02857968|0.14980192|0.00187868|0.00006629|-0.00005017|-0.00034082|-0.00101651|0.00055677|-0.00535244|-0.00163244|-0.00145999|-0.00651374|-0.02079245|0.04348020|-0.05775366|0.00922086|-0.02385555|-0.00216413|0.01787736|-0.01954877|-0.00073589|-0.00168043|-0.00110608|-0.00353648|0.00119780|0.00135128|0.00101680|0.00161900|-0.00060082|0.00086706|0.00031922|0.00070764|-0.00010100|-0.00088520|-0.00007742|-0.00018271|0.00066042|-0.00021587|0.00003874|-0.00014790|-0.00043592|-0.00012724|0.00018496|0.00013105|-0.00007248|-0.00026037|-0.00034617|-0.00036973|-0.00080619|0.00080611|0.00016908|0.00004481|0.00008261|0.07340544|0.00065550|0.00010553|0.00076927|0.00062292|-0.00022462|-0.00026581|-0.00252549|0.00105409|-0.00054834|-0.00513772|-0.00525481|0.01442663|0.00717165|-0.12957346|0.11902804|0.00636521|-0.01922725|0.02355763|0.00250074|0.00111410|0.00075926|0.00186182|-0.00046475|-0.00144009|-0.00009619|-0.00229791|-0.00036321|-0.00238654|0.00139851|-0.00050311|0.00003345|0.00043821|0.00032247|-0.00007887|-0.00037685|-0.00004414|0.00010206|-0.00052015|-0.00049216|0.00002230|0.00002191|-0.00002255|-0.00005111|0.00003574|-0.00014280|-0.00023119|-0.00047300|0.00044408|0.00013990|-0.00004851|-0.00018269|-0.00942942|0.13927874|0.00044105|-0.00006171|-0.00038084|0.00055930|0.00031464|0.00035640|0.00100519|-0.00131676|0.00293527|0.00387275|0.00427424|-0.00853773|-0.01462496|0.12059997|-0.26462175|0.00024602|-0.00286071|0.00685002|-0.00017412|-0.00073930|0.00014567|0.00020446|-0.00087789|-0.00021566|-0.00076558|0.00069801|0.00036961|0.00103112|0.00014649|0.00081889|0.00019323|0.00027578|0.00010130|-0.00009020|-0.00005645|0.00011773|0.00001067|0.00020268|0.00063572|0.00016952|0.00046285|0.00028733|0.00009434|0.00027519|0.00014694|0.00021511|0.00023947|-0.00030397|-0.00010798|-0.00035136|0.00028850|0.00949683|-0.13410624|0.28526443|-0.00382290|-0.00040826|0.00444121|-0.00062109|-0.00107986|0.00004574|0.00138218|0.00001469|-0.00067999|-0.02268538|-0.02732663|-0.03245711|-0.07264990|-0.04478378|-0.04524877|0.00560333|0.02167422|0.01725518|-0.00016847|-0.00106543|0.00148691|-0.00371397|0.00132259|-0.00016976|0.00135902|0.00135202|-0.00008318|0.00030008|0.00010696|-0.00053824|-0.00007591|-0.00089611|0.00033584|-0.00004779|0.00067896|0.00016136|0.00018274|0.00017495|-0.00007859|-0.00068315|-0.00093644|-0.00046451|0.00006270|-0.00027585|0.00043448|-0.00017265|-0.00000549|0.00006437|0.00027870|-0.00008767|0.00059459|0.00025049|-0.00022590|-0.00115267|0.09570263|-0.00193883|0.00155216|0.00163132|0.00062934|-0.00019595|0.00014383|0.00014088|-0.00004634|-0.00096317|-0.01037712|-0.00731596|-0.00980167|-0.04759681|-0.17418077|-0.12686868|-0.00237809|-0.02284173|-0.01978449|0.00197842|0.00104275|-0.00188637|0.00233366|-0.00017008|0.00060554|0.00024116|-0.00233126|0.00077411|-0.00214053|0.00151909|0.00136293|-0.00012916|0.00035682|-0.00034663|-0.00001639|-0.00036722|0.00013786|0.00022823|0.00004431|0.00014974|-0.00039400|-0.00054129|-0.00023849|0.00000104|0.00002591|0.00016436|0.00002951|-0.00004960|0.00008018|0.00033336|-0.00043877|0.00057755|0.00597538|0.01476769|0.01292368|0.05238727|0.18894747|0.00219223|0.00190786|0.00090624|-0.00025394|0.00024721|0.00060895|-0.00123352|0.00001602|0.00026959|0.00424834|0.00700292|0.00969613|-0.05405202|-0.12943271|-0.20512104|0.00062611|-0.00062896|0.00271552|-0.00008881|0.00108891|-0.00035350|0.00082599|0.00038489|-0.00033177|0.00033367|-0.00086260|0.00006113|-0.00041605|-0.00029944|0.00126318|-0.00008538|0.00004503|0.00015677|0.00016364|-0.00014313|-0.00002676|0.00009902|0.00034833|0.00018145|0.00002721|0.00019402|0.00007728|-0.00004940|-0.00015428|0.00002172|0.00003747|-0.00043139|0.00040440|0.00008867|0.00001912|0.00031544|-0.00971807|-0.02119903|-0.02365164|0.05680667|0.14176365|0.21328569|0.00024024|0.00011784|-0.00001423|-0.00006252|0.00005226|0.00003219|0.00024096|0.00013385|-0.00006489|-0.00026192|-0.00039314|0.00001977|0.00193572|0.00069442|0.00036622|-0.00920825|0.00213565|0.00174867|0.00339408|0.03204384|-0.00520197|-0.14209302|0.14293564|0.01658537|0.01953641|-0.01954369|-0.00392817|-0.00269784|-0.00629957|0.00145114|0.00092003|0.00282409|-0.00089202|0.00020125|-0.00078062|-0.00003610|-0.00002187|0.00001497|0.00000771|-0.00001357|-0.00009778|0.00005343|0.00010184|-0.00013350|-0.00000826|-0.00002798|-0.00011141|-0.00003259|-0.00002693|0.00001143|-0.00000675|-0.00017363|0.00026041|-0.00005953|-0.00042871|0.00045713|0.00005515|0.12823913|0.00009107|0.00003300|0.00004399|0.00000553|0.00006604|0.00000388|0.00007346|0.00003217|-0.00006527|-0.00013925|-0.00003248|0.00000141|0.00011148|0.00037041|0.00030205|0.00113401|0.00213710|-0.00039493|-0.00087367|-0.00126300|-0.00042619|0.14334789|-0.47532414|0.01332833|0.01615521|-0.01503787|-0.00269141|-0.00571167|-0.00280852|0.00156677|-0.00157651|0.00180210|-0.00003639|0.00018985|-0.00031771|-0.00003889|0.00001752|0.00001193|0.00002573|-0.00004434|-0.00000877|-0.00000016|-0.00002447|-0.00002894|0.00000783|-0.00003963|-0.00000983|0.00001621|0.00000421|0.00000552|-0.00003463|-0.00007906|-0.00001362|-0.00003693|-0.00018106|0.00007583|0.00005713|-0.15195260|0.48988932|-0.00006251|-0.00006939|0.00011075|0.00003665|-0.00000589|0.00011180|-0.00000901|0.00003053|0.00011072|-0.00000282|0.00005332|-0.00033993|0.00041471|0.00018276|0.00391708|0.00185004|-0.00059441|-0.00004778|-0.00224778|-0.00716761|-0.00693088|0.01653933|0.01345476|-0.00296901|-0.00711676|0.00456948|-0.00721521|0.00138584|0.00168924|0.00123631|-0.00050030|-0.00093642|-0.00202495|-0.00012311|0.00015931|-0.00030624|0.00000485|0.00000012|-0.00002186|-0.00000441|0.00003454|-0.00002615|-0.00001811|0.00003007|0.00000378|0.00001397|0.00000712|-0.00001047|-0.00000345|-0.00000993|-0.00001046|0.00070451|-0.00055251|-0.00023754|-0.00062184|0.00037228|-0.00007290|-0.01067950|-0.01188391|0.01273703|0.00007126|0.00006939|0.00009362|0.00004307|0.00000616|0.00002234|0.00003565|0.00005006|-0.00011818|-0.00044928|0.00012360|0.00004020|0.00001473|-0.00067137|0.00023655|-0.00041092|0.00314972|0.00120033|0.00158495|-0.00303344|0.00058601|-0.01239930|0.00396176|0.00169517|-0.38081813|0.02385253|0.06890576|-0.00691288|-0.00450448|0.00260746|-0.00048506|0.00050291|0.00057409|-0.00002224|-0.00020387|0.00000595|0.00001459|-0.00001747|-0.00000578|-0.00003638|-0.00000362|-0.00002147|-0.00002748|-0.00000758|0.00000425|-0.00002079|0.00000759|0.00003395|0.00001315|-0.00001605|-0.00001724|-0.00005585|0.00005634|-0.00002143|-0.00003229|0.00005551|0.00001804|-0.00023611|-0.00062538|-0.00032456|0.40021993|-0.00011177|-0.00014596|-0.00009564|0.00004771|-0.00000539|0.00000455|-0.00005675|-0.00012364|0.00015749|0.00080510|-0.00026124|-0.00015874|0.00077374|0.00162697|-0.00022510|0.00401452|-0.00503379|0.00023545|0.00047730|-0.00710142|0.00081215|-0.03755457|0.00982539|0.00659293|0.03442364|-0.07745059|-0.00313080|0.02288408|0.01271426|-0.00546597|-0.00175800|0.00077637|0.00051595|0.00004661|-0.00045351|0.00002376|-0.00001850|0.00001196|0.00001957|0.00002241|0.00004206|0.00002297|-0.00000489|0.00003498|-0.00000301|0.00001210|0.00003947|-0.00003679|-0.00002643|0.00000938|-0.00002116|-0.00008698|0.00001605|0.00005768|-0.00009742|0.00000641|-0.00002700|0.00081421|0.00079888|-0.00042366|-0.02327205|0.06448929|-0.00001950|0.00000193|0.00001232|0.00001845|0.00001307|0.00014999|0.00002056|0.00000098|0.00002581|-0.00001988|-0.00001972|-0.00019226|0.00010801|0.00007115|0.00085076|0.00112342|0.00041334|0.00656502|0.00027716|0.00152822|0.00293608|0.00537717|-0.00190060|-0.00331686|0.06797664|-0.00096354|-0.04728152|0.00016734|0.00013385|0.00382993|0.00077452|0.00005450|0.00237934|-0.00001628|0.00007474|-0.00008581|-0.00001364|-0.00000810|-0.00004939|-0.00000423|-0.00001854|0.00000869|0.00000405|-0.00000243|-0.00001052|0.00001408|0.00001098|-0.00000433|-0.00000835|0.00000416|-0.00004535|-0.00002518|-0.00000347|-0.00002198|0.00004793|-0.00002615|-0.00003611|-0.00045243|-0.00013070|-0.00199193|-0.07453121|0.00130483|0.04073872|0.00002045|-0.00014348|-0.00010927|0.00018039|0.00007523|-0.00000568|0.00007528|-0.00012122|0.00015987|0.00016196|0.00055536|-0.00019349|0.00162326|-0.00098063|-0.00040072|0.00288047|-0.02841362|0.00191769|-0.00760357|-0.00145071|0.00232754|-0.00254441|0.00545362|0.00128391|0.01464472|0.01955487|-0.00479093|-0.09439206|-0.08225098|0.01971106|0.00139311|-0.00070910|0.00010460|0.00001392|-0.00018852|-0.00002263|0.00001509|-0.00000068|0.00006348|0.00000056|0.00006959|0.00002434|-0.00002436|0.00004142|0.00000037|-0.00000775|0.00007468|-0.00003870|-0.00002590|-0.00000735|-0.00007134|-0.00042095|0.00044085|-0.00044561|-0.00024463|0.00027703|0.00036471|0.00129261|0.00088964|0.00030095|-0.00000950|-0.00123875|-0.00074511|0.08337967|0.00005923|-0.00002666|0.00001633|0.00009733|0.00001263|-0.00000454|0.00005301|-0.00003006|-0.00001391|-0.00040312|0.00030477|0.00000675|0.00061390|-0.00048080|-0.00015022|0.00130274|-0.00113823|-0.00017382|-0.00034062|-0.00044456|0.00038924|0.00356901|-0.00358777|0.00013478|-0.01326006|-0.01330653|0.00386900|-0.07925222|-0.35916840|0.04514736|0.00029315|0.00017420|0.00006668|-0.00011293|-0.00014142|0.00001974|0.00001660|-0.00002157|0.00001957|-0.00002052|0.00003546|-0.00000976|-0.00002623|0.00001447|0.00000367|-0.00001475|0.00004179|0.00000880|0.00000185|-0.00002312|-0.00002403|-0.00036807|0.00037480|-0.00015868|-0.00029679|0.00030094|0.00016760|-0.00089425|-0.00030345|0.00048895|0.00055140|0.00014070|-0.00049827|0.08860573|0.37728829|0.00001412|0.00004641|0.00013444|-0.00000778|0.00000010|0.00018677|0.00000296|0.00003313|0.00008311|-0.00010772|-0.00018878|-0.00050256|-0.00054256|0.00017400|-0.00067135|-0.00072537|0.00590192|-0.00047780|0.00222592|0.00061733|0.00263761|0.00145624|-0.00024998|0.00583798|-0.00187122|-0.00284032|0.00035232|0.01944183|0.04575927|-0.04180946|0.00001685|0.00027094|0.00157126|-0.00002940|0.00003539|-0.00017680|0.00002344|-0.00001461|-0.00004682|-0.00001045|-0.00004518|-0.00000683|0.00000641|-0.00001014|-0.00000484|0.00001205|0.00000748|-0.00000478|-0.00003370|0.00001550|-0.00000432|0.00000559|0.00044445|-0.00031416|0.00003756|-0.00071738|-0.00041680|0.00045756|0.00012499|0.00304429|-0.00090457|-0.00013211|-0.00399678|-0.01948284|-0.04930593|0.03500320|0.00013200|-0.00076611|0.00021930|-0.00347470|-0.00333688|0.00366601|-0.00044245|-0.00031334|-0.00012641|0.00034372|0.00030745|-0.00012435|-0.00058713|0.00016101|0.00007078|-0.00304593|-0.00132162|0.00115295|0.00977270|-0.02094914|0.00071167|0.00043244|-0.00214992|-0.00021399|0.00036363|0.00013674|-0.00007387|0.00033503|-0.00133565|0.00005912|-0.13155327|0.12326927|0.00672595|-0.01888406|0.03611508|0.00202575|0.00013791|0.00003547|-0.00012176|0.00000707|0.00010210|-0.00007593|-0.00134289|0.00128066|0.00017095|0.00013333|0.00021806|0.00011589|0.00015605|0.00005356|0.00005913|0.00008887|-0.00002950|-0.00003172|0.00008140|-0.00003307|0.00000716|-0.00085901|-0.00071120|0.00044574|0.00001166|0.00004726|-0.00001387|-0.00031478|-0.00011724|0.00002750|0.14883514|-0.00018197|-0.00006320|-0.00007294|-0.00026880|0.00183956|0.00105432|-0.00035792|0.00016764|0.00014467|0.00028285|-0.00001819|-0.00006786|-0.00046065|0.00047314|0.00003657|-0.00424982|0.00048726|0.00100854|0.01658015|-0.02728222|-0.00058418|0.00263756|0.00376539|-0.00101396|-0.00145181|-0.00177280|0.00045857|-0.00008476|-0.00067596|0.00008037|0.12410016|-0.29743723|-0.00273126|-0.00248334|0.00321271|0.00083291|-0.00003304|-0.00000307|-0.00009043|0.00007553|-0.00001647|-0.00000254|0.00010190|-0.00024731|0.00000610|0.00011516|0.00002748|0.00000511|-0.00000260|0.00001461|0.00009883|0.00009440|-0.00011215|0.00003110|0.00007278|-0.00012183|-0.00004235|-0.00227892|-0.00002919|0.00055907|-0.00000333|0.00005937|-0.00000747|-0.00054182|-0.00000756|0.00009070|-0.13073761|0.31538601|0.00121824|-0.00110631|-0.00034726|0.00339263|0.00168246|0.01216410|-0.00117519|0.00128946|-0.00000443|-0.00012206|-0.00007253|-0.00009988|0.00012610|-0.00009042|-0.00018800|0.00141432|0.00040755|0.00168504|-0.00264780|0.00707967|0.00399755|-0.00064021|-0.00003566|-0.00141594|0.00006720|0.00013418|0.00003032|-0.00005342|0.00033740|0.00002563|0.00665457|-0.00255784|-0.04577449|0.00547701|-0.00705411|0.00636527|0.00002397|-0.00001164|0.00003706|-0.00017016|-0.00024573|0.00031823|0.00027729|-0.00023580|0.00001934|0.00022143|0.00022236|0.00014858|-0.00007552|-0.00000549|0.00000107|0.00001352|0.00003422|0.00000584|-0.00005858|0.00000158|0.00002301|0.00058633|0.00023866|0.00086962|-0.00000935|-0.00001814|-0.00003185|0.00006606|0.00000427|-0.00024228|-0.01262876|0.00115081|0.03222520|-0.00182691|0.00163371|0.00086597|0.00971344|0.02263624|-0.00245058|-0.00235692|0.00099187|-0.00081787|0.00131439|0.00044835|-0.00034672|-0.00082217|0.00024066|0.00012894|-0.00019460|0.00016071|-0.00008964|-0.00318781|0.00301601|0.00296378|-0.00036059|-0.00145440|0.00038823|-0.00059926|-0.00002428|0.00010101|-0.00016682|-0.00020091|0.00001140|-0.01376982|-0.03563915|0.00756023|-0.10629409|-0.09897163|0.02201082|-0.00003729|-0.00023776|-0.00018564|-0.00000910|0.00052314|-0.00040316|0.00150862|-0.00024548|-0.00023598|0.00021634|0.00057342|0.00028975|0.00007944|-0.00028153|0.00023060|0.00018561|-0.00004123|-0.00006578|0.00014357|-0.00006390|0.00000311|0.00000909|-0.00006101|0.00001758|-0.00009277|-0.00014256|-0.00005966|-0.00009358|-0.00005717|-0.00001242|-0.00032672|-0.00092409|-0.00195761|0.11696794|0.00251730|-0.00087439|-0.00166222|-0.01114042|-0.01842873|0.00461124|0.00286656|-0.00089883|0.00047053|-0.00114750|-0.00031847|0.00024514|0.00053583|-0.00000167|-0.00011708|0.00007433|-0.00014836|-0.00005237|0.00081375|0.00224335|0.00076409|-0.00033127|-0.00023379|0.00016959|-0.00013488|0.00012622|0.00000600|0.00008076|0.00007014|-0.00004058|0.00245419|0.00023258|0.00016038|-0.10488221|-0.32522672|0.04678177|-0.00003522|0.00024964|0.00003941|0.00000229|-0.00076334|0.00050443|0.00052541|0.00176064|-0.00024238|-0.00012945|-0.00084133|-0.00032310|-0.00004204|0.00020472|-0.00006166|-0.00007550|-0.00001826|0.00006425|-0.00011776|-0.00003859|-0.00002181|-0.00001026|-0.00004478|0.00001218|-0.00002834|-0.00001601|-0.00003276|0.00000885|-0.00000793|-0.00001715|0.00007461|0.00235398|-0.00114897|0.10812097|0.34061991|0.00030666|0.00086196|-0.00162927|0.00057268|-0.00229172|0.00773463|-0.00050538|-0.00148725|-0.00107476|-0.00020420|-0.00007905|-0.00014083|0.00010226|-0.00005658|-0.00010234|-0.00008085|-0.00006867|-0.00054126|0.00315966|0.00031375|0.01196294|0.00028769|0.00039758|0.00081142|0.00011086|-0.00001674|-0.00013661|-0.00001444|0.00001740|-0.00019737|0.00415178|0.00794265|0.00606854|0.02253975|0.04557157|-0.05059264|-0.00006751|0.00023555|0.00004970|-0.00019299|-0.00000089|0.00014320|-0.00030422|-0.00008500|0.00031693|0.00018903|-0.00006775|-0.00000351|0.00007281|-0.00016741|-0.00002296|0.00010389|0.00008012|-0.00003839|-0.00015858|-0.00005558|0.00002400|0.00001293|0.00002243|0.00006392|-0.00006995|-0.00000923|-0.00043198|-0.00001828|-0.00000354|-0.00017538|-0.00204725|-0.00094468|-0.00981176|-0.02794636|-0.05010892|0.03772379| 160.10005 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 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 57.9003 180.8266 245.6324 279.4313 281.4055 331.4562 371.1202 414.1822 456.5959 513.9007 579.8903 627.1874 689.1035 740.0056 759.2836 804.3655 824.0184 835.4328 853.0061 882.7401 927.3159 976.7583 984.3764 1000.1018 1039.5590 1098.7771 1121.1151 1129.9432 1171.2561 1191.4479 1217.8082 1223.9067 1243.0738 1259.4673 1265.5810 1304.9142 1336.4991 1368.1079 1398.0090 1423.4997 1424.3554 1468.7406 1491.0039 1509.3799 1521.8108 1562.5914 1603.8520 1620.8281 1629.3382 1639.3399 1655.6823 1677.2206 1768.1534 1872.7956 3196.7747 3218.6501 3224.7481 3226.8550 3256.5791 3271.7653 3276.3627 3307.8712 3348.0965 3410.1742 3448.8272 3917.1201 2.8524 4.1184 3.1743 5.4252 3.1827 2.5535 1.9043 3.5303 1.2931 3.0349 2.8400 6.2963 2.7595 2.7711 4.4634 4.3416 1.3724 2.9155 1.7074 3.0802 1.5193 1.2990 5.4817 4.1584 2.2411 1.4042 2.3374 2.0077 1.4514 1.9768 2.2341 1.7720 1.8559 1.1137 2.6592 2.1824 2.1821 1.3868 1.4961 1.4206 1.3212 1.2966 1.7009 1.6265 1.5936 2.0770 1.8660 2.1283 1.3114 2.8882 1.0871 1.1220 4.1120 6.5399 1.0600 1.0595 1.0662 1.1047 1.0886 1.1078 1.1063 1.0864 1.0939 1.0927 1.1034 1.0814 0.0056 0.0793 0.1128 0.2496 0.1485 0.1653 0.1545 0.3568 0.1588 0.4722 0.5627 1.4592 0.7721 0.8941 1.5161 1.6550 0.5491 1.1989 0.7319 1.4142 0.7698 0.7302 3.1296 2.4505 1.4269 0.9988 1.7310 1.5103 1.1731 1.6534 1.9521 1.5639 1.6897 1.0409 2.5095 2.1895 2.2965 1.5293 1.7228 1.6961 1.5792 1.6480 2.2279 2.1832 2.1744 2.9880 2.8281 3.2943 2.0512 4.5731 1.7559 1.8595 7.5744 13.5145 6.3826 6.4672 6.5324 6.7769 6.8023 6.9869 6.9972 7.0036 7.2250 7.4871 7.7324 9.7758 0.0767 0.2691 1.4021 1.6111 7.5488 2.5459 0.0018 1.8780 103.3129 2.4482 0.0078 1.6132 2.9375 2.3707 13.3295 7.3859 87.4359 8.4954 1.0640 16.1863 0.0022 2.1566 12.2928 3.7824 6.2983 3.1488 1.0816 7.7843 5.3167 9.2531 14.3558 36.3051 18.0711 0.9274 22.2625 13.0347 11.3647 0.2553 10.0117 16.2413 1.5044 3.6295 8.3240 9.7098 9.6989 2.3661 17.7661 1.5875 5.8809 50.9760 0.0108 0.9431 3.4143 16.0157 59.4503 92.3424 40.4826 48.1130 27.9337 3.5373 118.8452 17.7278 45.0525 9.7268 8.1314 76.9103 1.0425 2.7264 2.9944 1.0606 0.6236 5.0639 0.3962 0.1711 1.4727 1.8112 9.9207 8.0425 0.3153 1.9167 10.2237 5.0748 0.6323 2.2567 7.6107 4.2872 4.9071 1.0066 8.3462 15.8422 0.1867 7.9188 2.6102 2.4511 12.6186 5.2568 3.7791 2.9341 24.5045 0.8955 4.8270 6.1857 6.8865 13.8802 1.8119 18.8264 1.7288 4.5823 0.2995 18.2072 27.4524 132.5021 107.5782 8.2106 57.7040 145.8350 2.3152 20.3857 36.6166 282.1218 102.5295 40.2695 200.6415 92.1170 135.9333 90.2317 63.1016 53.1424 174.1346 79.6314 148.3042 75.7948 0.7500 0.7500 0.4832 0.6337 0.7500 0.7500 0.7500 0.6630 0.7500 0.5965 0.7500 0.1405 0.7500 0.7500 0.1098 0.6321 0.7500 0.7359 0.7500 0.0853 0.7500 0.7500 0.5571 0.1460 0.7499 0.7500 0.0357 0.7500 0.2889 0.7493 0.7500 0.1689 0.7435 0.7500 0.4817 0.2250 0.6110 0.7500 0.4497 0.4359 0.7499 0.7500 0.4204 0.2729 0.1928 0.4358 0.3870 0.7318 0.3540 0.3150 0.7500 0.7361 0.4388 0.2720 0.2108 0.7495 0.1319 0.7500 0.1651 0.7498 0.4785 0.5722 0.2261 0.4928 0.2080 0.2840 0.8571 0.8571 0.6515 0.7758 0.8571 0.8571 0.8571 0.7973 0.8571 0.7473 0.8571 0.2464 0.8571 0.8571 0.1979 0.7746 0.8571 0.8478 0.8571 0.1571 0.8571 0.8571 0.7156 0.2548 0.8571 0.8571 0.0690 0.8571 0.4483 0.8567 0.8571 0.2889 0.8529 0.8571 0.6502 0.3674 0.7586 0.8571 0.6204 0.6071 0.8571 0.8571 0.5920 0.4288 0.3233 0.6071 0.5581 0.8451 0.5229 0.4791 0.8571 0.8480 0.6100 0.4276 0.3481 0.8568 0.2331 0.8571 0.2835 0.8570 0.6473 0.7279 0.3689 0.6602 0.3444 0.4424
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 6 6 6 7 6 6 6 7 6 6 6 6 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 14.00307 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783
965.45611 2104.66183 2787.03833 0.99997 0.00745 0.00000 -0.00745 0.99997 0.00000 -0.00000 -0.00000 1.00000 1 0.08971 0.04115 0.03108 1.86931 0.85750 0.64755 83.31 260.17 353.41 402.04 404.88 476.89 533.96 595.92 656.94 739.39 834.33 902.38 991.47 1064.70 1092.44 1157.30 1185.58 1202.00 1227.29 1270.07 1334.20 1405.34 1416.30 1438.92 1495.69 1580.90 1613.03 1625.74 1685.18 1714.23 1752.15 1760.93 1788.51 1812.09 1820.89 1877.48 1922.92 1968.40 2011.42 2048.10 2049.33 2113.19 2145.22 2171.66 2189.55 2248.22 2307.59 2332.01 2344.25 2358.64 2382.16 2413.15 2543.98 2694.54 4599.45 4630.92 4639.69 4642.72 4685.49 4707.34 4713.96 4759.29 4817.16 4906.48 4962.09 5635.86 0.220886 0.229430 0.230374 0.186986 -494.259721 -494.251178 -494.250234 -494.293622 1.455241D-04
MUNgauss RevisionA2.1 retrievium 09-Apr-2022 GDB_13 Smiles: C1C2CN1CC1=C(NC=C1)C=C2 RHF 6-31G(d) (6D,10F) C1 160.100048 |X|Y|Z| 23.002675 33.807323 12.187028
21.162273 12 6 7 10 2
|36.858105| |12.306529|36.858105| |9.032369|12.306941|36.858105| |12.973158|8.872453|12.973768|53.358707| |7.673372|5.929153|7.673607|18.043510|36.858105| |6.113614|5.444139|6.113182|10.101209|12.514845|36.858105| |5.753775|5.879245|5.752930|8.050828|7.124701|13.823401|36.858105| |4.109064|4.156527|4.108479|5.733899|5.115788|8.609511|13.810784|53.358707| |3.666629|3.515710|3.666237|5.378453|5.172589|8.446680|8.476998|19.182998|36.858105| |4.265905|3.869582|4.265551|6.730268|7.491763|13.334857|8.461548|11.866521|14.059693|36.858105| |6.049109|7.502974|6.048754|7.417553|5.379436|7.157662|12.961973|10.790247|5.307197|5.122917|36.858105| |7.409675|12.696248|7.409923|8.142527|5.063064|5.606490|7.435228|7.013014|3.971553|4.066953|14.347650|36.858105| |17.579663|8.517568|6.461986|11.990123|7.311544|6.687004|6.484775|6.298584|4.082312|4.690672|6.541905|7.113275|0.500000| |17.559036|8.558197|6.803678|12.189759|5.836018|4.633553|4.347443|4.560058|3.072217|3.524979|4.581610|5.572637|0.300117|0.500000| |8.543697|17.595437|8.543691|8.769829|4.545887|4.159160|4.455694|4.640504|2.939271|3.172268|5.627052|8.952596|0.176920|0.215897|0.500000| |6.803582|8.558050|17.558856|12.190360|5.836284|4.633312|4.346896|4.559416|3.071888|3.524714|4.581328|5.572663|0.139605|0.167505|0.215886|0.500000| |6.461894|8.517665|17.579371|11.990386|7.311791|6.685948|6.482628|6.296600|4.081366|4.689837|6.541045|7.113538|0.148479|0.139605|0.176919|0.300124|0.500000| |6.839997|4.881533|5.639023|12.689292|17.529312|8.980634|5.722371|6.132377|4.770383|6.871081|4.467358|4.232868|0.196972|0.158572|0.109774|0.129834|0.144584|0.500000| |5.638874|4.881704|6.840495|12.689125|17.529275|8.980064|5.722068|6.131847|4.769875|6.870087|4.467492|4.233100|0.144580|0.129827|0.109776|0.158585|0.196998|0.305210|0.500000| |3.604714|3.767369|3.604339|4.869364|4.092644|6.014792|9.052979|26.118220|9.129720|6.064060|7.302638|4.846051|0.111748|0.083663|0.088513|0.083654|0.111723|0.102245|0.102241|0.500000| |3.049438|2.945639|3.049128|4.412834|4.063003|5.756618|5.849569|12.247857|17.801207|8.624412|4.230729|3.305215|0.093347|0.073089|0.070352|0.073081|0.093327|0.107644|0.107633|0.213181|0.500000| |3.779874|3.361247|3.779667|6.090338|6.731861|8.537928|5.796842|8.045821|8.789958|17.766827|4.019014|3.391451|0.112909|0.090086|0.078564|0.090081|0.112897|0.189129|0.189100|0.127628|0.196901|0.500000| |4.583413|5.499146|4.583329|5.668377|4.191189|5.475515|8.966254|10.498654|5.002635|4.448934|17.658380|9.347382|0.138507|0.103360|0.127135|0.103357|0.138500|0.101131|0.101135|0.236337|0.116423|0.098946|0.500000| |5.592127|8.663083|5.592637|6.227680|3.940769|4.293332|5.493707|5.860722|3.380443|3.360189|9.311090|17.690577|0.150613|0.129806|0.225778|0.129815|0.150633|0.095269|0.095275|0.118957|0.080951|0.079732|0.233577|0.500000|
494.065573 -2551.988203 933.841641 -69.578644 -1193.659633 699.179027 -494.480607 2.000840 405BFFFFFFFFFFFC 41A45A17BFFFFFFC 413E4A8E82FA0BE2 411342BFFFFFFFFF 404FFFFFFFFFFFFE 41DDDE1E8AFFFFFE