Version2.5 2023-01-03T20:01:16Z 10.1021/ja902302h Gaussian16 RevisionB.01 RPOIRIER 31-Dec-2022 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) GDB_13 Smiles: CC1N=C(NC1=C)C1=NCCN1 RHF 6-31G(d) (6D,7F) CC1N=C(NC1=C)C1=NCCN1 C1[X(C8H12N4)] 66 C1 204 CC1N=C(NC1=C)C1=NCCN1 C=C1NC(=NC1C)C1=NCCN1 CC1N=C(NC1=C)C2=NCCN2 InChIKey=WGEGYTSPBASRMA-UHFFFAOYSA-N InChI=1S/C8H12N4/c1-5-6(2)12-8(11-5)7-9-3-4-10-7/h6H,1,3-4H2,2H3,(H,9,10)(H,11,12) InChI=1/C8H12N4/c1-5-6(2)12-8(11-5)7-9-3-4-10-7/h6H,1,3-4H2,2H3,(H,9,10)(H,11,12)/f/h9,11H CC1N=C(NC1=C)C1=NCCN1 C01[X(C8H12N4)] 66 C1 204 CC1N=C(NC1=C)C1=NCCN1 C[C@H]1N[C@H](N[C@@H]1C)C1NCCN1 C[C@H]1N[C@H](N[C@@H]1C)C2NCCN2 InChIKey=CZTLDZKQPXQFQX-PHDIDXHHSA-N InChI=1S/C8H18N4/c1-5-6(2)12-8(11-5)7-9-3-4-10-7/h5-12H,3-4H2,1-2H3/t5-,6-/m1/s1 InChI=1/C8H18N4/c1-5-6(2)12-8(11-5)7-9-3-4-10-7/h5-12H,3-4H2,1-2H3/t5-,6-/m1/s1 5.271687244436D+02 -2.622675655550D+03 695.2728757316 -527.700305 1-A 2456.8519 44 160 204 |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|A| -15.58978 -15.57399 -15.54639 -15.54479 -11.32019 -11.31552 -11.27580 -11.26477 -11.26348 -11.25517 -11.21536 -11.20067 -1.34505 -1.31122 -1.18098 -1.15808 -1.07673 -1.01793 -0.98001 -0.89755 -0.85386 -0.82019 -0.78699 -0.76660 -0.73514 -0.67083 -0.66016 -0.64599 -0.60780 -0.59451 -0.58629 -0.56526 -0.55371 -0.55019 -0.53723 -0.52729 -0.51841 -0.49729 -0.48749 -0.43368 -0.42489 -0.41296 -0.34755 -0.30196 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.12064 0.20433 0.23523 0.24597 0.26859 0.27451 0.28585 0.29774 0.30208 0.30802 0.31073 0.31909 0.33412 0.34108 0.34904 0.36861 0.37619 0.39417 0.41855 0.44160 0.46270 0.48924 0.51218 0.52690 0.54465 0.58537 0.64211 0.69765 0.69995 0.72939 0.73948 0.74684 0.76212 0.77365 0.78007 0.81205 0.83041 0.84742 0.85757 0.86683 0.88253 0.89189 0.89461 0.92486 0.94091 0.95541 0.96083 0.97064 0.99293 1.00809 1.02142 1.03134 1.05220 1.07619 1.09324 1.10803 1.11255 1.12320 1.12894 1.13864 1.15102 1.16239 1.18514 1.19617 1.19840 1.20219 1.21223 1.22286 1.23782 1.26383 1.27520 1.28007 1.29508 1.33990 1.35951 1.40786 1.42847 1.45789 1.49799 1.53993 1.54803 1.58353 1.61061 1.62955 1.67169 1.69705 1.71789 1.75590 1.78547 1.81150 1.83750 1.88658 1.94240 1.96870 2.01120 2.04130 2.04514 2.07879 2.11307 2.13616 2.16524 2.17627 2.19128 2.22118 2.26320 2.27574 2.28192 2.28498 2.32175 2.33694 2.35856 2.37022 2.42032 2.44588 2.46204 2.47407 2.51557 2.52479 2.53971 2.56253 2.58253 2.61654 2.65018 2.68495 2.70052 2.73388 2.76652 2.79539 2.80876 2.84010 2.85658 2.87396 2.89427 2.94505 2.97001 3.01383 3.02173 3.02896 3.06151 3.12927 3.14052 3.17245 3.27067 3.27987 3.37778 3.43289 3.65210 3.68264 4.42284 4.45912 4.48839 4.57562 4.60598 4.64159 4.66080 4.75837 4.85606 4.94238 4.96278 5.09474
11.49944
-1.1766 -0.5985 0.8919 1.5931 |XX|YY|ZZ|XY|XZ|YZ| -61.0459 -71.5107 -74.3165 2.1308 -1.7228 -1.0220
|XX|YY|ZZ|XY|XZ|YZ| 7.9118 -2.5530 -5.3588 2.1308 -1.7228 -1.0220
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| -37.1783 1.1282 1.3468 -1.4444 -12.9133 1.6476 -5.7665 -1.9435 3.1496 4.7661
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY| -2404.7987 -557.2170 -143.8891 -16.9551 -17.1386 33.2243 5.4642 -8.1040 -0.4154 -526.5301 -470.9329 -130.7633 3.4950 4.1132 -11.7051
0 |0.63331904|0.03145730|0.62580889|0.03682985|-0.04335460|0.60804914|-0.11415563|0.03239854|0.04425158|0.58043248|0.02730782|-0.13389314|-0.04941428|-0.07313689|0.55931741|0.03969856|-0.05329760|-0.16187443|0.04719599|-0.02047940|0.63861406|-0.03159578|-0.00214629|0.00279992|-0.19573819|-0.06649978|0.00596037|0.57945053|0.02504946|0.01068053|0.00126595|-0.00221979|-0.10965485|0.00108556|-0.21869230|0.76404125|0.02981211|0.00802763|0.00356292|-0.00651844|-0.00212886|-0.10117974|0.03755439|-0.08522849|0.14165962|-0.00634276|-0.00511354|-0.00225055|-0.05853253|0.04905652|-0.00922811|-0.29256259|0.21675412|-0.03173155|0.94850197|-0.00641751|-0.00474991|0.00061069|0.03280403|0.00761935|0.00190692|0.27314135|-0.52907753|0.06679514|-0.15184971|0.93503543|0.00256051|0.00043719|0.00022242|-0.00677754|0.00199825|0.00671028|-0.04101618|0.06590259|-0.09027346|0.04547944|-0.11145804|0.21139457|0.00113625|0.00254700|-0.00045700|-0.02030584|0.01489383|-0.00219419|0.02544591|-0.01375549|0.00266354|-0.21371922|-0.07409552|-0.00497903|0.73872501|-0.00003157|-0.00350710|0.00279071|0.02131340|-0.03064662|0.00082779|-0.00173407|-0.11013906|0.01702409|-0.09135271|-0.28784642|0.02689910|-0.09266851|0.99063204|0.00138308|0.00154938|-0.00224992|-0.00635127|0.00588716|0.00024836|0.00136211|0.01569001|0.03388448|0.00668370|0.03946939|-0.05968363|0.04395972|-0.20764114|0.10253734|0.00360672|0.01599699|-0.00617362|-0.09149094|0.02081167|-0.00300876|-0.03297398|-0.01444044|0.00299397|-0.07075791|-0.06134511|0.01101200|-0.28741219|0.04481097|-0.00632614|0.91610747|0.00572160|-0.02124258|-0.00145645|-0.01773581|-0.19489360|0.01871502|-0.01667576|-0.02770647|0.00479204|-0.03282716|0.02559099|-0.00227272|0.05487382|-0.17072458|0.02242355|0.23237951|0.73024085|-0.00475545|-0.02581682|0.00949230|0.00411994|0.01872958|-0.10291293|0.00140901|0.00323073|0.00049483|0.00167282|-0.00519222|0.00421367|0.00642942|0.02266369|-0.05887945|-0.05692713|-0.09217172|0.22547885|0.00028799|0.00164867|0.00135641|0.00925041|-0.00745093|0.00066019|0.00374937|-0.00216517|-0.00006111|0.00218658|0.01903245|-0.00268591|-0.06491407|-0.02869314|0.00927949|-0.42959552|-0.23322770|0.04878590|0.88939036|-0.00223220|-0.00002543|0.00218783|-0.02071196|-0.00987623|0.00366878|-0.00787395|-0.00439737|0.00035992|0.00682966|-0.00851532|0.00046987|0.00768747|0.02921603|-0.00050953|-0.23698336|-0.32887547|0.04838347|0.10821674|0.80357178|0.00135261|0.00018688|-0.00063915|0.00280388|0.00455724|0.00583233|0.00104956|0.00115798|0.00117370|-0.00112698|0.00042807|0.00000218|0.00226796|-0.00144454|0.01387517|0.04913797|0.04869838|-0.07707226|-0.04344145|-0.11234287|0.12926094|0.00094526|0.00179315|0.00088486|-0.00035018|-0.00245569|-0.00066655|-0.01375304|0.01020974|-0.00296577|-0.29329923|-0.01173048|-0.00621264|-0.02130298|-0.00363279|-0.00100258|0.00059710|-0.00147229|0.00012276|0.00021119|0.00096099|-0.00013103|0.92292248|0.00062729|0.00034019|0.00009210|0.00264735|-0.00565495|0.00324074|0.04145094|-0.00265884|0.00089866|-0.00840123|-0.10878023|0.00454546|-0.03688153|0.00559490|-0.00220454|-0.00378075|-0.00805246|0.00102447|-0.00166039|0.00119573|-0.00001032|-0.13992117|0.92077227|-0.00306722|-0.00100711|-0.00045156|-0.00030236|0.00297808|0.01722250|-0.00518154|-0.00059348|-0.00590943|-0.00997880|0.00650971|-0.08032858|0.00365272|-0.00100645|0.00244506|0.00119703|0.00163480|0.00354467|0.00037440|-0.00001931|-0.00004446|0.08435402|-0.18566015|0.25047858|-0.00086193|-0.00081538|-0.00064463|0.00035644|0.00256268|0.00043831|-0.01091661|-0.00081060|-0.00013608|-0.01480304|0.04229108|-0.01267229|-0.00387790|0.00085773|-0.00033550|0.00342350|0.00108830|-0.00030863|-0.00097885|-0.00056044|0.00013359|-0.27342505|0.25739151|-0.08338297|0.56981446|0.00017203|0.00026142|0.00012165|-0.00092196|-0.00019118|-0.00003935|-0.00034366|0.00368168|0.00010116|0.01020633|-0.00448668|0.00072643|-0.00148298|0.00109428|0.00017828|0.00133900|0.00040124|-0.00002148|-0.00003016|0.00018331|-0.00002924|0.19867788|-0.52144956|0.13036955|-0.20106244|0.73371756|-0.00018914|-0.00010433|-0.00025802|0.00038160|0.00031167|-0.00009484|-0.00095153|-0.00026757|0.00316086|-0.00138880|0.00194839|-0.00651343|-0.00049838|0.00000654|0.00233332|0.00026109|-0.00016643|-0.00046149|-0.00020178|-0.00008155|0.00021826|-0.07102326|0.13109867|-0.11970311|0.07830860|-0.18018308|0.17477209|0.00004520|0.00017564|0.00010036|-0.00029758|-0.00012813|0.00015589|0.00011143|-0.00062501|-0.00000024|-0.00010405|0.00251676|-0.00158360|0.00205312|-0.00099180|0.00020063|-0.00135051|0.00001730|0.00004714|0.00048058|0.00013199|-0.00002527|-0.06190083|0.02820639|-0.00996909|-0.20858466|0.00088476|-0.00570379|0.58190136|0.00025633|0.00021720|0.00008194|-0.00019493|-0.00049609|-0.00053627|0.00216033|-0.00013473|-0.00002868|-0.00270968|-0.00469160|0.00577421|-0.00088812|0.00036237|-0.00008306|0.00061435|0.00014720|-0.00012218|-0.00014163|0.00001517|-0.00000695|0.04733266|0.00696305|-0.00029900|-0.06256005|-0.10443827|-0.00078515|-0.10779705|0.56140621|0.00040669|0.00017458|0.00015558|-0.00015169|-0.00029162|-0.00223107|-0.00117368|-0.00022409|-0.00005095|-0.00167715|0.00670261|0.01551612|0.00060792|-0.00017061|-0.00048419|-0.00009548|0.00009020|0.00006225|0.00005720|-0.00002597|-0.00005814|-0.01417799|0.00555757|0.00668516|0.01149214|0.00017401|-0.09753398|0.03143291|-0.00569318|0.69629158|0.00008764|0.00011258|0.00007059|-0.00081270|0.00025580|-0.00024312|0.00203793|0.00091372|-0.00023333|0.00066227|-0.00438921|0.00011722|0.00028402|0.00093789|0.00007473|-0.00026236|0.00006557|0.00011018|0.00017531|0.00024757|-0.00006104|-0.05864874|-0.03922862|-0.00478047|-0.02764992|-0.02030916|-0.00297445|-0.08199386|0.01289181|-0.00215707|0.63888734|0.00000609|-0.00002167|-0.00000107|-0.00003762|0.00015045|-0.00012402|0.00102506|0.00033630|0.00000803|-0.00109952|-0.00599539|0.00227475|-0.00160740|0.00086007|0.00000424|0.00025069|-0.00040092|-0.00002849|-0.00020601|0.00008630|-0.00002398|-0.02323886|0.01797948|-0.01287189|-0.01944473|-0.02401819|0.00631068|-0.01248467|-0.19335885|-0.00391308|0.09013599|0.55501724|0.00003239|0.00000504|0.00010582|-0.00030699|0.00021980|-0.00000500|0.00062189|-0.00029495|-0.00045299|0.00000097|0.00416600|0.00276620|0.00175502|-0.00017420|0.00013916|-0.00037346|0.00040359|-0.00002850|0.00026661|0.00001318|-0.00008734|0.00831332|0.00055122|0.00167822|0.00659391|0.00803665|0.00278283|0.00337380|-0.00047206|-0.10234165|-0.05599679|0.03110164|0.66133848|-0.00014126|-0.00036971|-0.00031546|0.00158328|-0.00050958|0.00013951|-0.00209615|-0.00079486|0.00031302|-0.02124663|-0.03387179|0.00947654|-0.00781332|0.00406589|-0.00060661|0.00141124|-0.00209982|-0.00007930|-0.00133926|-0.00008231|0.00006358|-0.21148505|-0.07637392|0.03165587|0.02154179|-0.01372838|-0.00099395|-0.01728075|0.01482824|-0.00685463|-0.20902578|0.01951315|-0.08294304|0.64814108|0.00006533|-0.00004766|-0.00004394|-0.00088539|0.00018438|-0.00012841|0.00051120|0.00104312|0.00027535|-0.00356419|0.00538997|-0.00057131|0.00368579|0.00158365|0.00033144|0.00106850|0.00089276|-0.00012499|0.00012858|-0.00006549|-0.00001716|-0.08791512|-0.26555927|0.05986596|-0.00580721|-0.09358849|0.04147919|0.02332793|-0.03072433|0.02048853|0.01942525|-0.13021998|0.00376180|-0.08503632|0.92639644|0.00003180|0.00003188|-0.00008099|0.00054461|-0.00051135|-0.00039955|-0.00081940|-0.00016262|0.00196102|0.00066421|-0.00313239|0.00311139|-0.00211691|-0.00059181|0.00180786|-0.00077797|-0.00056174|0.00024221|-0.00006556|0.00002353|0.00008827|0.00431530|0.01424094|-0.06514763|-0.00228689|0.04464774|0.02187816|0.00313109|0.00840670|-0.00758171|-0.04536037|0.00307569|-0.09896696|0.05534871|-0.01390681|0.15230956|-0.06308274|-0.03455514|0.00583490|0.00140674|0.02037871|-0.00363299|0.00159685|-0.00077588|-0.00100946|0.00046853|0.00107475|-0.00018354|-0.00027530|0.00015826|-0.00041162|-0.00164681|0.00022519|0.00355524|-0.00006180|0.00049148|-0.00029945|-0.00016007|0.00009906|0.00003636|0.00007891|-0.00010881|0.00003511|-0.00002455|-0.00001461|-0.00001290|-0.00005188|-0.00000880|-0.00000651|0.00002374|-0.00007187|0.00002447|0.06062257|-0.03186273|-0.33402296|0.05602820|-0.00338587|-0.02027910|0.00541254|-0.00070433|0.00228096|0.00064076|-0.00031769|-0.00086809|0.00032711|0.00067007|-0.00013336|0.00010947|0.00119830|0.00024625|-0.00384549|0.00036715|-0.00044457|0.00007522|-0.00010544|-0.00017109|0.00004645|0.00013420|0.00010204|-0.00000055|-0.00004229|-0.00000481|-0.00000724|0.00000404|0.00001727|-0.00001785|0.00013273|0.00010249|-0.00004154|0.03574472|0.36182281|0.00625747|0.05893295|-0.07217680|-0.00388092|-0.02928729|0.00582829|-0.00126559|0.00143715|0.00081288|-0.00055418|-0.00072605|-0.00004540|0.00045386|-0.00132931|0.00066262|0.00369813|-0.00070039|-0.00388484|-0.00013395|-0.00047293|0.00071284|0.00011884|0.00001899|-0.00010684|-0.00000896|0.00002309|0.00002067|0.00000083|0.00002449|0.00000747|0.00001108|0.00000598|0.00000248|0.00000296|0.00000459|-0.00002180|-0.00927796|-0.06108258|0.07226002|-0.33229061|-0.06083038|-0.00261291|-0.01533854|-0.00568008|-0.00365891|-0.00209805|0.00449139|0.00365849|-0.00115745|-0.00361183|0.00087582|0.00231525|0.00113466|-0.00025420|-0.00206054|-0.00081288|0.00040330|0.00043121|0.00020301|-0.00055127|0.00067039|0.00000216|-0.00037366|-0.00037521|0.00015184|-0.00008756|0.00010158|0.00006716|0.00007375|0.00009220|-0.00000564|0.00001766|-0.00019023|0.00005249|0.00001596|-0.00138470|-0.00127251|-0.00002266|0.36061687|-0.06369816|-0.07397471|-0.00079459|0.02106539|0.00511794|0.00187602|0.00226311|-0.00281664|-0.00364743|0.00142559|0.00196149|-0.00023620|-0.00132950|0.00007141|-0.00015627|0.00113809|0.00070588|0.00072565|-0.00032264|-0.00041453|0.00009678|-0.00041446|-0.00020782|0.00056147|0.00025289|-0.00004331|0.00005050|-0.00002564|-0.00007648|-0.00008614|-0.00001774|0.00000046|-0.00000962|0.00006844|0.00001717|-0.00000334|-0.03681306|-0.00510252|-0.00141358|0.06913448|0.07346014|-0.00476505|-0.00170070|-0.06053354|0.02562804|0.00912749|0.00216560|0.00335861|-0.00484864|-0.00337717|0.00197943|0.00173612|-0.00028338|-0.00078549|-0.00048618|-0.00001930|0.00005903|0.00018246|0.00035237|-0.00011586|-0.00005397|-0.00020900|-0.00050984|-0.00025395|0.00047287|0.00037303|-0.00008350|0.00010337|-0.00004873|-0.00007884|-0.00008357|-0.00004935|-0.00000073|-0.00003816|0.00013801|0.00000511|0.00003375|0.00767951|0.00106296|-0.00058713|0.00226577|0.00340917|0.05852536|-0.09876238|0.02026889|-0.09866140|0.00653891|-0.00382717|0.01929940|0.00225740|-0.00138896|-0.00028589|0.00033014|0.00107814|-0.00024294|-0.00044794|-0.00024763|-0.00001768|0.00104879|-0.00082409|-0.00033474|-0.00052292|-0.00010507|0.00024709|-0.00022154|0.00002559|0.00007458|0.00011190|-0.00006022|0.00000775|-0.00003689|-0.00001262|-0.00001054|-0.00002663|0.00000580|0.00000135|0.00005796|-0.00002710|-0.00003309|0.00172875|-0.00043042|0.00551139|-0.01133648|0.00823517|-0.03422173|0.10049428|0.02108451|-0.07086067|0.05329068|-0.00849713|0.00361857|-0.02135084|-0.00133110|0.00026423|0.00121076|0.00029600|0.00044845|0.00007404|-0.00031066|-0.00009193|0.00016317|-0.00047339|0.00141816|-0.00095245|-0.00029865|0.00002010|0.00054261|0.00001051|0.00002540|-0.00019386|-0.00001976|-0.00004856|0.00001622|0.00000357|0.00000418|0.00002197|-0.00000500|0.00000125|0.00002120|-0.00002789|-0.00003881|-0.00000970|0.01480566|-0.00443692|0.03391983|-0.00272059|0.00134370|-0.00889697|-0.02523463|0.07015962|-0.09613587|0.05074957|-0.29779637|-0.01051745|0.00523657|-0.02457403|-0.00091232|0.00053587|0.00275622|0.00070106|-0.00025650|0.00001577|0.00006738|-0.00049048|0.00016606|0.00034905|0.00187332|0.00043247|-0.00040902|-0.00049012|0.00097899|-0.00011527|-0.00011095|-0.00027709|0.00010669|-0.00001667|0.00010335|-0.00000822|-0.00001777|-0.00000288|-0.00000977|-0.00000632|-0.00004268|0.00004272|0.00001006|0.00011481|-0.00183938|0.00150209|-0.00465301|-0.00019896|-0.00071100|0.00232083|0.10543372|-0.05414056|0.32340516|0.00874785|-0.00328568|0.01950070|-0.09124157|0.02039098|-0.09132318|-0.02669639|0.01097321|-0.03484633|-0.00605304|-0.00882481|-0.00062483|0.00276967|0.00112583|-0.00041483|0.00162665|0.00082873|0.00223853|0.00091541|-0.00090975|0.00011488|0.00112937|0.00137716|0.00306810|-0.00087414|0.00018814|-0.00005444|0.00021451|0.00003868|-0.00043723|0.00006354|-0.00004822|0.00000656|-0.00042897|-0.00000840|0.00011366|0.00048579|-0.00035680|-0.00105149|0.00085262|-0.00078653|-0.00079901|-0.00138543|0.00271188|0.00330979|0.11002479|-0.00741527|0.00499125|-0.02152035|0.02142701|-0.07362830|0.05793305|-0.00421869|0.00598688|-0.00995546|-0.00249839|-0.00337577|-0.00006053|0.00181283|-0.00184146|-0.00089229|0.01163604|-0.00781028|0.03453634|0.00070633|-0.00144177|-0.00156571|0.00082363|0.00023254|0.00081897|-0.00019019|0.00014856|-0.00017927|0.00007503|0.00007769|-0.00002223|0.00003893|-0.00001281|-0.00000420|-0.00009244|0.00002320|0.00002590|-0.00082818|0.00083656|0.00060455|-0.00005893|0.00080417|0.00119613|0.00251638|-0.00181257|-0.00354962|-0.02360664|0.07717051|-0.00924203|0.00475209|-0.02558848|-0.09281930|0.05389982|-0.29064533|-0.00314421|-0.00049304|0.00733420|0.00125201|-0.00223182|0.00070030|0.00046904|0.00123985|-0.00138371|-0.00135376|0.00192903|-0.00187853|-0.00033386|0.00021011|0.00157850|-0.00019669|0.00004277|-0.00068032|-0.00007368|-0.00003945|0.00007357|-0.00000009|0.00001555|0.00005420|0.00004055|-0.00000019|0.00000950|-0.00004529|0.00002064|0.00004465|-0.00052612|-0.00027646|0.00123759|0.00043546|0.00079702|0.00099499|0.00329180|-0.00358499|-0.00252198|0.10181239|-0.05647645|0.31121705|0.00047958|0.00110113|-0.00053855|-0.00758113|0.00046830|0.00037982|-0.00249931|-0.01124976|-0.00009627|0.02371829|-0.01382367|0.00810705|-0.15200576|0.14676575|-0.04783314|0.00254715|0.03037317|-0.01019192|0.00136643|-0.00006744|0.00034680|0.00069370|-0.00377304|0.00124374|-0.00002501|0.00078519|-0.00030084|-0.00106163|0.00106870|-0.00000048|0.00018292|0.00016972|-0.00008315|0.00055105|0.00197025|-0.00110324|-0.00021804|0.00020350|0.00035873|0.00010504|-0.00008450|-0.00009976|-0.00002889|-0.00000764|0.00009579|0.00029180|0.00082598|-0.00006587|0.13346334|0.00013438|-0.00005359|-0.00001202|-0.00134100|-0.00037531|0.00128764|-0.00124886|-0.00155268|0.00099278|0.01445970|-0.01727758|0.00471388|0.13896500|-0.42433313|0.12483177|0.00204877|0.00394930|-0.00311836|-0.00173671|0.00036874|-0.00015203|-0.00047156|-0.00086989|0.00015073|0.00191570|-0.00054498|-0.00010423|-0.00047386|0.00048925|-0.00014516|0.00012503|0.00011807|-0.00010343|0.00035677|-0.00005307|-0.00003208|0.00002841|0.00010956|0.00002253|-0.00000611|-0.00005229|-0.00001365|0.00000396|-0.00000670|-0.00004928|0.00006606|-0.00018792|-0.00007541|-0.15314926|0.44098881|0.00006597|-0.00028231|0.00011040|0.00177226|-0.00085422|0.00262678|0.00012070|0.00110772|0.00584412|-0.00104552|-0.00474364|-0.00844018|-0.05061600|0.14046744|-0.03879610|0.00230722|-0.00609675|-0.00488853|-0.00101427|-0.00075751|-0.00065772|0.00034090|0.00039017|0.00036898|-0.00032717|-0.00046270|-0.00162763|0.00005942|-0.00008679|-0.00014029|-0.00005134|-0.00002915|0.00012759|-0.00012954|0.00004250|-0.00025379|-0.00004356|-0.00014979|-0.00008426|-0.00006202|-0.00004520|0.00000276|0.00003528|-0.00003027|-0.00014615|-0.00031624|-0.00010986|-0.00023493|0.04908207|-0.12835702|0.04630096|-0.00053765|0.00006489|0.00013097|-0.00361304|0.00111088|0.00039423|-0.00140434|-0.00132930|0.00020321|0.00031948|-0.00130035|0.00010288|0.00298629|0.00124469|-0.00037814|0.00756673|-0.03344039|0.00518434|-0.07244330|0.03657115|-0.00457185|0.00012418|-0.00003528|0.00004199|-0.00001997|0.00009945|-0.00002432|-0.00001857|0.00002138|-0.00000238|0.00001952|0.00001610|-0.00000203|0.00002211|0.00005176|-0.00003663|0.00019301|-0.00004441|-0.00009225|0.00034735|-0.00010864|-0.00011281|0.00011717|0.00001164|-0.00004471|-0.00001998|-0.00031235|0.00024324|-0.00057899|0.00005972|-0.00014308|0.06480251|0.00003107|0.00026242|0.00011610|-0.00200883|0.00284952|0.00122956|-0.00112349|-0.00033292|0.00023891|-0.00031177|-0.00151158|-0.00006195|0.00110275|0.00264882|-0.00167864|0.00562138|-0.01815403|0.00363066|0.03090209|-0.36773761|0.05051480|0.00028754|-0.00012530|0.00013400|-0.00016779|0.00015838|-0.00007613|0.00003314|0.00001618|0.00000676|0.00004535|0.00000290|0.00001920|-0.00007549|0.00009760|-0.00006332|-0.00002278|-0.00008125|-0.00003978|-0.00010274|0.00008275|0.00002598|-0.00000857|-0.00001858|-0.00011082|0.00008451|-0.00049311|0.00018222|-0.00126419|-0.00040843|0.00007839|-0.03295943|0.38957638|-0.00005621|0.00155119|-0.00039118|0.00145454|0.00124873|0.01114604|0.00014210|0.00044413|0.00098872|-0.00006405|0.00009342|-0.00153470|-0.00047934|-0.00181794|-0.00816970|-0.00060631|0.00526092|0.00578900|-0.00363221|0.04996997|-0.04242237|-0.00008138|0.00000553|0.00040971|0.00004658|-0.00004081|-0.00008933|-0.00001114|-0.00000989|0.00000646|-0.00000625|-0.00000443|0.00001462|0.00000672|0.00000425|-0.00002605|-0.00032983|0.00019440|0.00017038|-0.00016321|0.00013230|0.00004688|0.00005664|-0.00000124|-0.00024038|0.00001347|-0.00226250|0.00026738|-0.00012811|0.00027804|0.00023464|0.00379837|-0.05550835|0.03189310|-0.00063023|-0.00007994|0.00008053|0.00011749|0.00121033|-0.00015736|0.00056640|-0.00114727|0.00010512|-0.00044510|0.00285574|-0.00023520|-0.00198350|-0.00519984|0.00118592|-0.02116095|0.01374802|-0.00147808|-0.33819300|0.10812810|-0.00732025|0.00009454|-0.00040828|0.00001224|-0.00014904|-0.00000585|-0.00002067|0.00007670|-0.00002226|0.00001128|0.00001724|-0.00004035|0.00004743|-0.00024272|0.00001349|-0.00001429|0.00031578|-0.00000339|-0.00011132|0.00081460|-0.00009237|-0.00008461|0.00005134|0.00001893|0.00004359|-0.00006346|-0.00048252|0.00022047|0.00013411|-0.00010570|0.00006225|0.00211778|-0.00002961|0.00003792|0.35863543|-0.00023287|-0.00025080|0.00001220|-0.00009274|0.00003146|-0.00114803|0.00063887|-0.00017647|-0.00023643|-0.00080747|0.00159281|0.00031198|-0.00355300|-0.00285488|0.00235093|-0.02218290|0.01401189|-0.00156187|0.11489400|-0.11294648|0.00934965|-0.00005349|-0.00036884|0.00000123|-0.00001315|0.00004225|-0.00001057|0.00001133|-0.00001196|0.00000846|-0.00001630|-0.00002444|0.00001856|-0.00009472|0.00004859|-0.00003926|0.00016514|0.00008297|0.00005522|-0.00014314|-0.00084783|-0.00031633|0.00003625|0.00001434|0.00003929|0.00000915|0.00032758|0.00003445|-0.00042012|-0.00039720|-0.00003056|0.03026325|-0.00684254|0.00047370|-0.11837260|0.10856879|-0.00018997|-0.00075245|0.00033198|-0.00050017|-0.00146145|-0.00631980|-0.00003402|-0.00031155|-0.00125639|0.00060974|0.00042643|0.00287690|0.00054284|0.00234554|0.01171492|0.00420311|-0.00247078|-0.00007036|-0.00851157|0.00944148|-0.03253365|0.00002246|0.00008398|-0.00056309|-0.00001638|-0.00001127|0.00001642|-0.00000440|0.00001806|0.00003289|-0.00000352|0.00001613|0.00000799|0.00004950|-0.00002306|-0.00004910|0.00040230|-0.00000882|-0.00018370|0.00028484|-0.00055434|0.00012039|-0.00018738|-0.00012458|0.00001780|-0.00010862|0.00154598|-0.00054723|0.00049214|-0.00020304|-0.00034834|-0.00470994|0.00135228|0.00188891|0.00765015|-0.00930302|0.02486342|-0.00002224|-0.00007305|-0.00005028|0.00019151|0.00014495|-0.00039058|-0.00121083|0.00017521|0.00004937|0.00103645|0.00201972|0.00203029|-0.00045573|0.00002755|0.00002873|0.00026362|-0.00002594|0.00000544|-0.00013987|-0.00006178|0.00003116|-0.00732593|-0.00631643|-0.00009979|-0.02378749|0.01607032|-0.03200067|-0.11016928|0.04457943|-0.09875925|0.00341139|-0.00061028|0.00353519|0.00097795|-0.00001937|-0.00179957|0.00001417|0.00000561|-0.00000011|-0.00003958|0.00001365|0.00002740|0.00001483|0.00000598|0.00001815|-0.00018869|-0.00005214|0.00001081|0.00000302|0.00010103|-0.00013262|-0.00000830|-0.00002963|-0.00000235|-0.00001862|-0.00000759|0.00000021|0.12693553|-0.00000207|-0.00002618|0.00000455|-0.00000252|0.00010237|-0.00011104|-0.00008764|0.00014034|-0.00011615|0.00070065|0.00034923|0.00067830|0.00005518|0.00003235|0.00001599|0.00000452|0.00001725|0.00003466|0.00000636|0.00000563|-0.00000552|-0.00394872|-0.00332871|0.00017467|-0.00344850|0.00711322|-0.01038123|0.04595666|-0.10313208|0.08817469|0.01601174|-0.00764357|0.02877762|0.00195272|-0.00616500|-0.00044134|-0.00000141|0.00000249|-0.00000219|-0.00000530|0.00000524|0.00000138|0.00000322|0.00000208|-0.00000102|-0.00005397|-0.00001805|0.00000605|-0.00006595|0.00000738|-0.00002626|-0.00000158|-0.00000189|0.00000376|0.00000138|-0.00000103|-0.00000279|-0.05051425|0.10505799|-0.00002788|-0.00003510|-0.00002088|0.00010967|0.00004585|0.00003016|-0.00018692|0.00004679|0.00004026|0.00036872|-0.00016515|-0.00039796|-0.00026369|0.00004009|0.00003398|0.00015145|-0.00001758|-0.00000889|-0.00006743|-0.00002557|0.00001800|0.00095654|-0.00156355|0.00069594|0.00024105|-0.00152032|0.00803234|-0.10586875|0.08935345|-0.26126308|0.00141986|-0.00258047|0.00139585|0.00134141|-0.00113961|0.00071925|0.00000748|0.00000229|-0.00000117|-0.00002158|0.00000787|0.00001163|0.00000695|0.00000092|0.00000382|-0.00002384|-0.00001524|-0.00000177|0.00003434|0.00006590|-0.00003613|-0.00000123|-0.00001072|-0.00000118|-0.00000933|-0.00000294|-0.00000169|0.11485050|-0.09444320|0.27374199|-0.00018270|-0.00016578|-0.00009234|0.00028715|0.00026754|0.00048449|-0.00089587|0.00017135|-0.00012850|0.00169988|-0.00007482|-0.00344194|-0.00067469|0.00000649|-0.00010236|0.00026291|-0.00005700|0.00004811|-0.00016093|-0.00007039|-0.00000204|-0.00535962|-0.00905882|0.00494394|-0.02849844|0.02017855|0.02948068|-0.09849923|0.04928688|0.08556756|0.00106238|-0.00257807|-0.00307032|0.00311362|0.00180371|-0.00064554|0.00002365|0.00000934|-0.00000908|-0.00007917|0.00004949|0.00005976|0.00002413|-0.00000306|0.00000233|-0.00006038|-0.00004118|-0.00002176|-0.00003502|0.00018787|0.00014527|-0.00000929|-0.00003295|0.00002256|-0.00002335|-0.00000859|-0.00000447|0.00950943|-0.00774222|-0.01312755|0.11596124|-0.00003661|-0.00004272|-0.00002406|0.00006394|0.00008384|0.00003048|-0.00013742|0.00015197|0.00010758|0.00088283|-0.00015424|-0.00074100|-0.00007937|-0.00001004|-0.00000163|0.00002716|-0.00000912|-0.00000386|-0.00001615|-0.00000616|0.00000866|-0.00227820|-0.00244049|0.00149107|-0.00267396|0.00857896|0.00799126|0.04850578|-0.11500886|-0.09645745|0.01023796|-0.01408291|-0.03242116|0.00199828|0.00095242|0.00049535|0.00000163|0.00000406|-0.00000495|-0.00001514|0.00001375|0.00001466|0.00000333|-0.00000314|0.00000746|-0.00002079|-0.00001950|0.00000188|-0.00007624|0.00002136|0.00001129|-0.00000278|-0.00000640|-0.00000293|-0.00000144|-0.00000119|-0.00000107|-0.00625837|0.00786954|0.01139444|-0.05085043|0.11887309|-0.00000472|0.00001518|0.00000208|-0.00005919|-0.00000558|0.00006257|0.00016591|0.00004155|0.00004039|0.00003912|-0.00029277|-0.00048296|0.00020971|-0.00002726|0.00008087|-0.00014894|0.00001755|0.00000259|0.00006563|0.00002485|0.00000891|-0.00119594|0.00354970|-0.00018193|0.00411382|0.00149519|0.00720750|0.08779270|-0.09804154|-0.24965159|-0.00214177|0.00200205|0.00416206|0.00018373|-0.00228584|-0.00018167|-0.00000585|-0.00000200|-0.00000002|0.00001281|0.00000034|-0.00000271|-0.00000528|-0.00000242|0.00000405|0.00003836|0.00000982|0.00000447|-0.00006047|-0.00008171|-0.00004487|0.00000004|0.00000719|-0.00000765|0.00000875|0.00000234|-0.00000377|0.01201958|-0.01360372|-0.02544239|-0.09997919|0.10711339|0.26166536|-0.00002838|-0.00004495|-0.00005178|0.00016245|-0.00000511|-0.00005501|-0.00036044|0.00000776|0.00018564|-0.00009711|-0.00015045|0.00062600|-0.00042343|0.00011202|0.00008346|0.00009398|-0.00007297|-0.00002135|-0.00008444|-0.00003273|0.00001678|0.00202636|0.00858502|-0.00526397|0.00166522|-0.00168463|0.00232177|0.00023793|0.00060181|0.00000152|-0.06754530|-0.01374584|-0.02036457|-0.01997279|-0.01908067|-0.03826877|0.00000411|0.00001041|-0.00000362|-0.00001965|0.00001236|0.00002557|0.00000204|-0.00000675|0.00001978|-0.00005492|-0.00001745|0.00000113|0.00003674|0.00001947|-0.00004067|-0.00000256|-0.00001202|-0.00000344|-0.00001552|-0.00000458|0.00000071|0.00093735|0.00030397|0.00023775|0.00108402|0.00064014|-0.00030351|0.07451226|-0.00001064|0.00000274|-0.00002127|0.00001605|-0.00001107|0.00002383|-0.00009439|0.00007451|0.00000329|0.00024396|-0.00009096|-0.00046404|-0.00013253|-0.00001262|0.00004387|0.00006896|-0.00000161|-0.00000119|-0.00002619|-0.00000697|0.00001833|-0.00050395|-0.00370796|0.00280590|-0.00256941|0.00018485|0.00020672|0.00034601|-0.01161625|-0.03490069|-0.01627052|-0.11187395|-0.10099673|0.00591472|0.01150676|0.00937955|0.00000276|0.00000033|0.00000267|-0.00000301|0.00000079|0.00000635|0.00000000|-0.00000121|0.00000717|0.00000331|-0.00000006|0.00000057|0.00004562|0.00000650|-0.00006203|0.00000057|-0.00000247|-0.00000459|-0.00000425|-0.00000054|-0.00000396|0.00052099|0.00237144|0.00028982|-0.00156446|-0.00727568|0.00066907|0.01333210|0.11249776|-0.00003032|-0.00004781|-0.00005271|0.00016241|-0.00001472|-0.00002322|-0.00038365|0.00006967|0.00015387|0.00013399|-0.00020778|-0.00013500|-0.00044469|0.00010049|0.00009420|0.00019503|-0.00006298|-0.00000367|-0.00010252|-0.00003897|0.00003206|0.00150599|0.00376412|-0.00185715|-0.00053327|-0.00167068|-0.00012800|0.00131962|0.00187777|0.00501097|-0.02282136|-0.10179541|-0.28598990|-0.01428292|-0.00253518|-0.00687108|0.00000293|0.00001521|-0.00000525|-0.00002108|0.00001349|0.00002571|0.00000327|-0.00000904|0.00002055|-0.00004401|-0.00001385|0.00000009|0.00008611|0.00002231|-0.00006427|-0.00000045|-0.00000978|-0.00000504|-0.00001808|-0.00000341|-0.00000539|0.00040168|-0.00064776|0.00194471|0.00014750|0.00088620|0.00162779|0.03637156|0.11119090|0.30678596|-0.00003719|-0.00005430|-0.00003621|0.00022794|-0.00003601|0.00004354|-0.00039706|0.00012767|-0.00002133|0.00016789|-0.00162147|-0.00000756|-0.00096716|0.00020198|-0.00012061|0.00020933|-0.00020846|0.00000487|-0.00016525|-0.00003168|0.00000885|-0.00496385|0.00548183|-0.00035237|0.00063185|0.00007340|0.00020779|0.00354123|0.00075797|-0.00090605|-0.19858163|-0.06496163|0.12788987|-0.03062150|-0.01248244|0.01320694|0.00001073|0.00001342|0.00000043|-0.00003360|0.00001092|0.00002079|0.00001102|-0.00000013|0.00000021|-0.00006596|-0.00001557|-0.00001614|0.00001847|0.00006158|0.00000560|0.00000010|-0.00001426|0.00000559|-0.00002868|-0.00000860|0.00000526|-0.00035120|-0.00039615|-0.00033093|0.00101855|-0.00053406|-0.00057868|0.00606782|0.00162782|-0.00111700|0.22604206|-0.00001686|-0.00002612|-0.00002110|0.00004983|0.00004694|-0.00002039|-0.00027086|0.00015132|-0.00004003|0.00052615|0.00047224|0.00027774|-0.00017206|0.00004670|0.00000189|0.00020712|0.00005022|-0.00000810|-0.00006093|-0.00003140|0.00000242|0.00158938|-0.00559543|0.00067213|-0.00449374|-0.00485165|0.00043257|-0.02526218|-0.00511538|0.02163863|-0.06866960|-0.09270813|0.05785865|0.01184280|0.00815008|-0.00654452|0.00000378|0.00000602|-0.00000085|-0.00001466|0.00000558|0.00001094|0.00000433|-0.00000256|0.00000395|-0.00004166|-0.00000504|-0.00000052|0.00015430|0.00008583|0.00000708|0.00000175|-0.00000479|0.00000299|-0.00000889|0.00000053|0.00000020|0.00023536|-0.00300364|0.00036355|0.00007808|0.00248244|-0.00069265|0.01168869|0.00738229|-0.01078448|0.07225649|0.09273418|-0.00000363|0.00000889|-0.00001854|-0.00000472|-0.00002086|0.00000197|0.00005143|0.00003773|0.00004772|-0.00011171|-0.00089501|-0.00010474|-0.00026566|0.00006934|-0.00002522|-0.00002557|-0.00007569|-0.00001155|-0.00002162|0.00001777|0.00000985|-0.00383689|0.00058528|0.00034418|-0.00121281|-0.00064762|0.00037504|-0.00040579|-0.00195910|-0.00022279|0.13605102|0.06138880|-0.18532484|-0.01470241|-0.00767154|0.01451268|-0.00000235|0.00000045|0.00000118|0.00000621|0.00000098|0.00000458|-0.00000406|-0.00000418|0.00000883|0.00000525|0.00000520|0.00000214|-0.00001451|0.00000873|-0.00001749|0.00000013|-0.00000112|-0.00000399|-0.00000480|-0.00000499|0.00000157|0.00010209|0.00028697|0.00043980|-0.00059552|0.00001780|0.00160640|0.02392522|0.01116158|-0.02106057|-0.13894269|-0.06278670|0.18940521|0.00001594|-0.00003064|0.00004407|-0.00109692|0.00086937|-0.00029154|-0.00001717|0.00052118|0.00049542|0.00002918|-0.00370729|0.00027545|0.00086350|0.00178894|-0.00008688|-0.00005350|0.00015906|-0.00004039|0.00015436|0.00025488|-0.00004406|0.02278156|-0.02005485|-0.00790274|-0.00279682|-0.00908864|0.00540921|-0.00744125|-0.00016478|-0.00323445|-0.00238490|0.02899504|0.01069088|-0.15553938|0.16279380|0.01593150|-0.00006745|0.00003240|-0.00000162|0.00005670|0.00002364|-0.00002272|-0.00001955|-0.00001230|0.00000070|0.00001093|-0.00003222|0.00006187|0.00044212|-0.00000040|-0.00007492|0.00003975|0.00005574|-0.00002067|0.00001277|-0.00000614|0.00000715|0.00042250|0.00127388|0.00020343|0.00043175|0.00061992|-0.00016660|0.00177425|-0.00094356|-0.00053073|-0.00173389|0.00037341|0.00001340|0.14411553|0.00004329|0.00018059|0.00006113|-0.00061310|0.00047822|-0.00000258|0.00199171|-0.00018554|-0.00009455|-0.00052846|-0.00103865|0.00045491|0.00066295|-0.00000142|0.00011657|-0.00001606|0.00019911|0.00001000|0.00013401|0.00012201|-0.00003871|0.01645675|-0.02413272|-0.00656347|-0.00185674|-0.00200686|0.00248768|-0.00236166|-0.00088881|-0.00110057|-0.00254308|0.00579104|-0.00045994|0.15248348|-0.42992654|-0.05428546|0.00002099|-0.00006913|0.00000787|0.00004575|-0.00005432|-0.00004529|-0.00001458|0.00000157|-0.00001424|0.00014557|0.00004772|0.00004627|0.00005021|-0.00003203|0.00001948|0.00001728|0.00002597|-0.00001063|0.00002854|0.00000300|0.00000209|0.00006904|0.00024362|-0.00009152|0.00020848|0.00002902|0.00008728|-0.00045559|0.00057339|-0.00009830|-0.00024831|-0.00027025|0.00047729|-0.16372046|0.45091103|0.00003648|-0.00002361|0.00009993|-0.00023450|0.00022940|-0.00022901|0.00047305|0.00037103|-0.00141568|-0.00042780|-0.00149153|0.00069360|0.00002124|0.00070525|-0.00033217|0.00025205|0.00003235|-0.00000421|-0.00004769|0.00004755|-0.00006591|0.00118084|0.02011309|-0.00909468|0.00009156|-0.00110758|0.00533205|-0.00398528|0.00266832|-0.00217679|-0.00100523|0.01519126|-0.00125277|0.02219086|-0.09784158|-0.01724328|0.00000320|0.00001517|0.00003378|-0.00002203|-0.00001388|-0.00004714|0.00003552|0.00003973|-0.00009413|-0.00017764|-0.00004838|-0.00003636|0.00028972|0.00007312|0.00016445|0.00002042|0.00002457|0.00003572|-0.00001168|-0.00000060|0.00000933|0.00012463|0.00162357|0.00006742|0.00031842|0.00008659|-0.00047546|0.00055981|0.00064488|0.00050533|0.00102982|-0.00037341|0.00002857|-0.02071576|0.05903469|0.02549741| 164.10620 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| 54.7743 74.0239 95.4079 132.0176 199.6703 242.9090 255.9985 273.9281 354.7940 395.5113 428.3294 454.6338 541.3167 616.8731 649.8604 675.4844 738.7220 782.3205 796.1575 831.9440 859.5480 945.3876 945.9177 950.8158 996.7681 1031.8667 1053.6212 1097.1647 1120.0481 1137.5742 1154.8967 1220.1520 1223.2439 1224.8890 1271.8671 1318.5174 1364.4183 1388.7567 1421.3032 1435.4793 1465.5832 1481.5046 1496.2859 1559.0351 1574.1653 1611.6305 1633.7143 1639.1024 1649.3119 1672.9761 1687.2985 1863.0861 1890.0879 1946.6152 3195.0358 3214.5857 3218.6226 3220.9668 3276.1449 3284.3171 3286.8859 3290.7657 3343.0557 3423.8871 3857.4454 3905.7544 3.6001 4.8692 3.6630 4.1956 2.3361 3.0856 1.1433 2.1883 3.9330 4.0338 1.1952 3.1294 3.2110 1.4231 3.8183 3.3997 4.0627 1.2265 2.2504 7.9542 2.2241 3.7429 1.4457 1.8341 3.0669 3.1550 1.7426 3.3939 3.1473 2.7565 2.3020 1.7337 2.4827 1.8690 2.2746 1.1432 1.1640 1.7505 1.7241 1.7684 1.4673 1.6744 1.5163 1.2677 1.4906 1.4724 1.0527 1.0499 1.1312 1.5490 1.7838 9.2383 6.0120 10.0525 1.0729 1.0397 1.0807 1.0693 1.0937 1.1037 1.1014 1.1044 1.0623 1.1170 1.0785 1.0808 0.0064 0.0157 0.0196 0.0431 0.0549 0.1073 0.0441 0.0967 0.2917 0.3718 0.1292 0.3811 0.5544 0.3191 0.9501 0.9139 1.3063 0.4423 0.8404 3.2437 0.9682 1.9709 0.7621 0.9769 1.7953 1.9792 1.1398 2.4071 2.3263 2.1016 1.8090 1.5208 2.1887 1.6521 2.1679 1.1710 1.2767 1.9892 2.0520 2.1469 1.8569 2.1653 2.0002 1.8154 2.1763 2.2532 1.6554 1.6619 1.8129 2.5544 2.9921 18.8934 12.6541 22.4431 6.4527 6.3302 6.5960 6.5362 6.9164 7.0144 7.0107 7.0464 6.9951 7.7148 9.4549 9.7144 3.4506 1.2603 2.9728 8.9827 2.1698 0.5188 0.3420 0.5492 5.0839 5.8308 141.7605 20.3689 15.4788 151.4970 4.7427 6.0204 8.7245 0.3040 30.5006 9.4157 7.8657 4.2381 75.2288 0.3626 7.8565 6.8357 16.6800 7.9381 49.3232 19.7675 2.6014 1.6219 11.7211 2.2301 148.9774 8.5984 1.4871 5.0265 13.6714 90.9812 31.9371 8.5817 110.4646 4.2553 127.3843 206.9047 3.3792 1.1990 1.7004 5.4797 2.4692 368.6545 200.8832 0.4956 66.2097 30.1557 25.0094 50.9660 47.9457 34.6075 58.8548 36.4123 3.0776 12.7842 50.4963 93.2807 1.9706 1.3817 0.4154 0.7850 0.2386 1.5878 0.7825 2.5151 4.0731 3.3281 1.5958 1.4041 0.5389 4.7682 7.4443 1.9715 11.2355 4.2059 1.7156 5.4988 9.2874 3.1554 4.8131 2.5641 9.4001 2.7574 2.7014 7.6954 0.9632 5.1655 6.7253 1.6388 6.0540 2.1802 1.4188 8.4223 8.1325 5.7857 8.7927 5.3150 4.0242 11.9986 12.1140 2.0468 20.2672 9.5745 15.1611 14.6272 23.0474 19.8060 11.8742 0.6501 68.7275 197.2886 101.6529 53.6660 163.0704 162.2293 131.2341 52.4772 125.0820 71.2072 93.3003 67.5986 47.5655 41.1497 0.7486 0.6933 0.7500 0.7500 0.7457 0.6556 0.7489 0.7161 0.5112 0.1518 0.7227 0.7078 0.7286 0.6507 0.7046 0.7476 0.2618 0.6897 0.6150 0.7268 0.1683 0.1632 0.7334 0.6972 0.2820 0.1445 0.3946 0.2991 0.6600 0.5806 0.5662 0.4191 0.4047 0.7407 0.6627 0.7442 0.7360 0.4799 0.1627 0.4601 0.3821 0.6238 0.1666 0.4533 0.6878 0.4726 0.6610 0.7121 0.6623 0.5434 0.7282 0.6947 0.2597 0.2247 0.2477 0.0678 0.2040 0.1932 0.2187 0.7357 0.6736 0.6398 0.1238 0.7408 0.2582 0.1825 0.8562 0.8189 0.8571 0.8571 0.8544 0.7920 0.8564 0.8346 0.6766 0.2636 0.8390 0.8289 0.8430 0.7884 0.8267 0.8556 0.4150 0.8164 0.7616 0.8418 0.2882 0.2806 0.8462 0.8216 0.4400 0.2525 0.5659 0.4605 0.7952 0.7347 0.7230 0.5906 0.5762 0.8510 0.7971 0.8534 0.8479 0.6486 0.2799 0.6303 0.5530 0.7683 0.2856 0.6238 0.8150 0.6419 0.7959 0.8318 0.7969 0.7042 0.8427 0.8199 0.4124 0.3669 0.3971 0.1270 0.3388 0.3238 0.3589 0.8477 0.8050 0.7804 0.2204 0.8511 0.4104 0.3087
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 7 6 7 6 6 6 7 6 6 7 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 14.00307 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
746.91029 3335.70876 3923.67566 0.99999 -0.00278 0.00205 0.00280 0.99992 -0.01238 -0.00202 0.01239 0.99992 1 0.11596 0.02597 0.02207 2.41628 0.54104 0.45996 78.81 106.50 137.27 189.94 287.28 349.49 368.32 394.12 510.47 569.05 616.27 654.12 778.83 887.54 935.00 971.87 1062.86 1125.58 1145.49 1196.98 1236.70 1360.20 1360.96 1368.01 1434.13 1484.63 1515.93 1578.58 1611.50 1636.72 1661.64 1755.53 1759.98 1762.34 1829.93 1897.05 1963.09 1998.11 2044.94 2065.33 2108.65 2131.55 2152.82 2243.10 2264.87 2318.78 2350.55 2358.30 2372.99 2407.04 2427.65 2680.57 2719.41 2800.75 4596.94 4625.07 4630.88 4634.25 4713.64 4725.40 4729.10 4734.68 4809.91 4926.21 5550.00 5619.51 0.217439 0.227966 0.228910 0.180521 -527.482866 -527.472339 -527.471395 -527.519784 1.622975D-04
MUNgauss RevisionA2.1 retrievium 03-Jan-2023 GDB_13 Smiles: CC1N=C(NC1=C)C1=NCCN1 RHF 6-31G(d) (6D,10F) C1 164.106196 |X|Y|Z| 21.103240 43.603020 10.501363
21.299551 10 6 7 6 4
|36.858105| |12.488320|36.858105| |7.724187|12.992756|53.358707| |5.714435|8.700680|20.609685|36.858105| |5.475560|8.291588|11.610449|13.935235|53.358707| |7.423773|12.435861|10.918101|8.520882|18.638560|36.858105| |5.937823|7.386327|7.066450|5.415338|10.672326|14.422963|36.858105| |4.091700|5.245006|10.729316|12.886554|10.540202|5.242755|3.930954|36.858105| |3.406615|4.170262|7.319802|7.936107|9.141208|4.545407|3.646034|15.141733|53.358707| |2.818757|3.286672|5.659982|5.267617|6.073623|3.401939|2.853303|8.743400|17.723023|36.858105| |2.949897|3.374996|6.112666|5.215263|5.512947|3.251297|2.689321|8.451958|10.857643|12.326576|36.858105| |3.664779|4.421744|9.020985|7.718785|7.012676|4.053165|3.183208|13.888213|11.520533|8.249312|13.073962|53.358707| |17.575736|8.859836|9.582466|4.994353|6.083921|5.456618|4.504348|3.810839|4.273128|2.688144|2.907190|4.925499|0.500000| |17.564524|8.806713|7.608303|4.558455|6.418094|6.679250|6.260857|3.415805|4.027246|2.479478|2.546789|4.173631|0.300470|0.500000| |17.571260|8.819024|9.485202|5.673589|7.430707|6.792653|5.558036|4.209467|4.855027|2.940091|3.060473|5.060710|0.300701|0.300837|0.500000| |8.896830|17.543210|12.475168|6.628454|8.717071|8.843602|6.436606|4.480980|4.957009|2.972322|3.068204|5.405735|0.214257|0.213153|0.173730|0.500000| |4.375986|5.828241|8.233097|9.138569|26.084641|8.901041|6.797857|7.092615|10.002455|4.706977|3.974250|6.414840|0.102039|0.109040|0.125277|0.134496|0.500000| |4.517845|5.372254|5.828092|4.727710|9.472708|9.081143|17.720589|3.679263|4.887214|2.815656|2.576966|4.030827|0.100634|0.130371|0.123336|0.134179|0.194335|0.500000| |6.117330|6.681970|6.194536|4.423530|7.655702|9.138249|17.748890|3.332766|4.177586|2.492642|2.401213|3.837265|0.129561|0.203857|0.151808|0.174625|0.137165|0.288323|0.500000| |2.590776|2.924389|4.838646|4.363744|5.309850|3.066099|2.643507|6.331361|12.318941|17.602415|8.634120|8.089369|0.068483|0.064037|0.076307|0.073229|0.117004|0.073453|0.064593|0.500000| |2.554262|3.001469|5.019182|4.556854|5.474791|3.127892|2.673115|6.780616|12.430281|17.544677|8.704938|9.002980|0.067927|0.063387|0.072602|0.077494|0.118638|0.073968|0.065221|0.302204|0.500000| |2.908376|3.192083|5.652981|4.639776|5.021372|3.051500|2.556410|6.712229|8.748250|8.693369|17.513728|12.271947|0.080172|0.069664|0.085773|0.079635|0.100612|0.067976|0.064026|0.220326|0.174540|0.500000| |2.617254|2.969378|5.205032|4.243873|4.653573|2.837350|2.393971|6.093703|7.940761|8.628712|17.611007|12.287999|0.072681|0.063690|0.074192|0.077165|0.093123|0.063900|0.060179|0.186690|0.220710|0.300410|0.500000| |4.008440|4.690243|9.972515|7.199725|6.487153|4.003253|3.136185|9.370933|8.363475|5.879845|8.880485|26.014403|0.114041|0.091118|0.112240|0.116940|0.116991|0.079407|0.078686|0.130991|0.137078|0.216069|0.198370|0.500000|
527.168247 -2622.674636 944.969983 -72.436828 -1222.973234 695.272926 -527.700308 2.001009 404C000000000001 41AA65564A000000 4143326D4D1745D1 40C7210000000004 4028000000000000 41940E8C40000000