Version2.5 2022-11-03T05:36:01Z 10.1021/ja902302h Gaussian16 RevisionB.01 DOC1ROB 25-Oct-2022 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) GDB_13 Smiles: CC1CCN1N=C1CC2CN2C1 RHF 6-31G(d) (6D,7F) CC1CCN1N=C1CC2CN2C1 C1[X(C9H15N3)] 75 C1 210 CC1CCN1N=C1CC2CN2C1 CC1CCN1N=C1CN2C(C1)C2 CC1CCN1N=C2CC3CN3C2 InChIKey=BORQGXKJAHNWHS-UHFFFAOYSA-N InChI=1S/C9H15N3/c1-7-2-3-12(7)10-8-4-9-6-11(9)5-8/h7,9H,2-6H2,1H3 InChI=1/C9H15N3/c1-7-2-3-12(7)10-8-4-9-6-11(9)5-8/h7,9H,2-6H2,1H3 CC1CCN1N=C1CC2CN2C1 C01[X(C9H15N3)] 75 C1 210 CC1CCN1N=C1CC2CN2C1 C[C@H]1CCN1N[C@H]1C[N@]2[C@@H](C1)C2 C[C@H]1CCN1N[C@@H]2C[C@H]3CN3C2 InChIKey=QYUUSSPTNNMIFW-QCBRBAQYSA-N InChI=1S/C9H17N3/c1-7-2-3-12(7)10-8-4-9-6-11(9)5-8/h7-10H,2-6H2,1H3/t7-,8+,9-,11+/m0/s1 InChI=1/C9H17N3/c1-7-2-3-12(7)10-8-4-9-6-11(9)5-8/h7-10H,2-6H2,1H3/t7-,8+,9-,11+/m0/s1 5.124026129052D+02 -2.636038829602D+03 719.8022207379 -512.7704745 1-A 2582.3438 45 165 210 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -15.57670 -15.57320 -15.55850 -11.26904 -11.25788 -11.25423 -11.25284 -11.25165 -11.24809 -11.23100 -11.22145 -11.20435 -1.32304 -1.29753 -1.17719 -1.03143 -1.01086 -0.99426 -0.94591 -0.86822 -0.84291 -0.79659 -0.76888 -0.73678 -0.70936 -0.65624 -0.64519 -0.63627 -0.61183 -0.59293 -0.58017 -0.57511 -0.56302 -0.53562 -0.52780 -0.51938 -0.51294 -0.47307 -0.46854 -0.46339 -0.44985 -0.44202 -0.40555 -0.36627 -0.32747 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.16374 0.23237 0.24889 0.26173 0.26545 0.27647 0.28215 0.28947 0.29865 0.31418 0.32030 0.32422 0.32670 0.33700 0.34083 0.34844 0.35534 0.35704 0.37173 0.39542 0.40249 0.41836 0.43424 0.45076 0.46250 0.48278 0.51900 0.53153 0.55227 0.60985 0.69150 0.71994 0.72434 0.74291 0.74508 0.76484 0.78930 0.80336 0.81111 0.82915 0.84067 0.84846 0.85842 0.87494 0.89129 0.89467 0.91120 0.92433 0.94994 0.95614 0.96884 0.97543 0.99546 1.02779 1.04917 1.06997 1.08040 1.09436 1.10144 1.12284 1.13243 1.14174 1.14825 1.15141 1.16077 1.16399 1.17044 1.17885 1.18061 1.18775 1.19240 1.21077 1.22035 1.22754 1.23995 1.24781 1.27252 1.27629 1.29744 1.32027 1.39186 1.41802 1.45954 1.48799 1.53433 1.55819 1.59941 1.62668 1.67721 1.69627 1.74718 1.76668 1.84020 1.88415 1.93445 1.95169 1.95603 2.01887 2.03964 2.05029 2.07909 2.08620 2.10935 2.12212 2.13258 2.15803 2.16626 2.20930 2.21836 2.25019 2.31296 2.32115 2.33241 2.34363 2.35691 2.36939 2.38692 2.41917 2.43259 2.45885 2.46238 2.49520 2.49827 2.51364 2.52498 2.59457 2.60355 2.62330 2.66137 2.67411 2.72357 2.73418 2.78324 2.80208 2.80370 2.83172 2.85091 2.85935 2.90884 2.93008 2.96049 3.00146 3.03629 3.06433 3.08515 3.13264 3.13722 3.17511 3.20783 3.26638 3.30558 3.44761 3.60544 4.41348 4.53592 4.57722 4.64132 4.66311 4.67897 4.75072 4.78521 4.87299 4.96391 5.03024 5.13483 13.36640 0.2684 -0.7925 -1.4454 1.6701 |XX|YY|ZZ|XY|XZ|YZ| -70.3120 -71.7008 -75.2910 -4.3998 3.9902 2.2615 |XX|YY|ZZ|XY|XZ|YZ| 2.1226 0.7338 -2.8564 -4.3998 3.9902 2.2615 |XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| 7.2824 -0.6140 -2.2905 -4.4920 6.8076 -20.8713 7.1332 -0.5095 0.1700 -5.2764 |XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY| -2704.2245 -513.4534 -231.2482 -24.8568 40.9278 -8.6815 1.8275 7.7166 1.5715 -534.7055 -527.7831 -125.7051 18.2551 4.0131 -9.4626 0 |0.62233560|-0.02366559|0.62600645|-0.03030261|-0.03452473|0.61823058|-0.13294301|-0.03431504|-0.05730549|0.54334751|-0.02962745|-0.13613237|-0.05565341|0.06470977|0.64899170|-0.04915937|-0.05134183|-0.17539779|0.04636809|-0.04528168|0.65706554|0.00936998|-0.01786079|-0.00145393|-0.06686163|0.01272914|-0.00477244|0.60087696|0.00139144|-0.01260867|-0.00191583|0.04259142|-0.19617466|-0.01681063|-0.12725960|0.51137805|0.01051028|-0.02182167|-0.00225221|0.00141724|-0.00788167|-0.10302167|-0.03371011|-0.01276109|0.70468934|-0.00478471|-0.00173870|0.00219319|-0.02999785|-0.04971374|-0.01169482|-0.20870114|-0.02965034|-0.00712854|0.56341549|0.00063624|-0.00508051|0.00118832|-0.05343547|-0.06189152|-0.02589507|-0.00603257|-0.06383388|0.00871977|0.11501562|0.61247666|0.00031773|0.00012674|-0.00039320|0.00500547|-0.00082118|0.00843022|0.00148159|0.01390144|-0.09753320|0.04853095|-0.07571651|0.63890624|-0.02179410|-0.00722297|0.00679323|-0.20527315|-0.03981365|0.07579039|-0.06531704|0.03702017|0.03363850|-0.08150906|-0.01418323|-0.01855383|0.65579131|-0.02151645|-0.00253872|0.00686347|-0.05192976|-0.10706862|0.04561570|0.04441608|-0.03646960|-0.02773356|0.01436527|-0.17998047|-0.09656211|-0.05154368|0.55297669|-0.02311035|-0.00139309|0.01311214|0.01427007|0.01929977|-0.10095819|0.01391594|-0.01172318|0.00463073|-0.01037326|-0.03416269|-0.10413437|-0.00981605|0.03457001|0.26636250|-0.00132026|0.00009702|0.00104668|-0.03035227|0.03718010|-0.02107266|-0.00774174|0.00396393|0.00330838|-0.00850852|0.01626688|-0.00320314|-0.20906066|0.08765240|-0.02279419|1.00339629|-0.00232346|-0.00035813|0.00154959|0.00275092|0.00851169|-0.01407585|0.00154886|-0.00248012|-0.00143980|0.02707094|-0.02421497|0.02880939|0.06198962|-0.19531367|0.02976416|0.02232838|0.35636853|-0.00094899|-0.00039506|0.00020850|0.00919721|-0.01140381|-0.00191439|0.00803097|-0.00542709|-0.00205426|0.01724289|-0.00172080|-0.00582494|-0.05395995|0.05131212|-0.06642751|-0.13935374|-0.11226759|0.16198514|-0.00046779|0.00034976|0.00052267|-0.00119509|0.00496191|-0.00258491|-0.00087050|-0.00030828|0.00011133|0.00232649|-0.00418721|0.00498333|-0.06834387|-0.00017196|-0.00221006|-0.69560004|-0.10612034|0.13942790|1.09532341|0.00085784|-0.00001266|-0.00055496|0.00178059|-0.00424912|0.00458608|0.00161782|-0.00072405|-0.00132937|0.00479281|0.00111639|0.00059121|0.04395620|0.00965732|-0.01088940|-0.15514591|-0.16092512|0.07143808|0.06530739|0.50908647|-0.00028396|-0.00018552|0.00030353|0.00193357|0.00333156|-0.00127661|-0.00080285|0.00012678|0.00081979|0.00012661|-0.00333692|0.00366838|-0.02680288|0.00529132|-0.00099184|0.16711132|0.05705982|-0.11331808|-0.14418538|-0.16284117|0.33873125|-0.00008292|0.00002202|0.00005491|0.00010030|0.00082294|-0.00026211|-0.00039770|0.00020690|0.00056862|-0.00091024|0.00071777|-0.00068573|0.00198957|-0.00264459|0.00479039|-0.04255249|0.02465520|-0.01037647|-0.14731382|0.06125851|-0.02328084|0.50527707|0.00008938|0.00001409|0.00000111|-0.00057236|0.00058295|0.00065834|-0.00041766|0.00031991|0.00043298|-0.00123095|0.00072277|-0.00068435|-0.00214605|0.00418142|0.00798735|-0.00293977|0.00923985|-0.01412145|0.05761809|-0.15403019|0.03029972|0.01951736|0.64800185|0.00040407|-0.00008351|-0.00026339|-0.00070003|-0.00052720|0.00217182|-0.00030519|0.00040459|0.00019016|-0.00155866|0.00191386|-0.00032669|0.00520675|0.00528076|0.01252656|0.00705171|-0.01229043|-0.00599508|-0.02039654|0.02527783|-0.09812320|-0.01139965|-0.01394268|0.66999250|0.00001942|0.00002824|-0.00001196|-0.00056968|0.00011262|0.00005011|-0.00001189|-0.00008998|0.00010130|-0.00006808|0.00077286|-0.00008708|0.00002349|-0.00136413|0.00147537|-0.00319398|0.00586854|-0.00451678|-0.04362366|-0.00923624|0.00712213|-0.19438339|-0.05028766|0.02180349|0.70253817|0.00007919|-0.00001215|-0.00008141|-0.00033907|-0.00042332|0.00026536|0.00015527|-0.00013006|-0.00016147|0.00032584|0.00043978|0.00020502|0.00162127|-0.00088146|-0.00011347|0.00648268|-0.00442051|0.00252919|0.00366828|0.01643079|-0.00425521|-0.06375504|-0.13496902|0.01001924|-0.06795750|0.71712574|-0.00001280|-0.00002960|0.00002778|0.00006790|0.00010827|-0.00010162|-0.00011803|0.00017151|0.00003219|-0.00025886|-0.00042824|0.00023094|-0.00022910|0.00105749|0.00047307|-0.00134855|0.00143790|-0.00119061|0.00534702|-0.00676390|0.00347626|0.03126759|0.00988823|-0.09555689|-0.11681387|0.07891098|0.35757599|0.00000145|0.00000255|-0.00001454|-0.00009898|-0.00004677|0.00000626|-0.00006548|0.00004022|0.00005284|-0.00001348|-0.00017071|-0.00027708|0.00003706|-0.00011617|0.00035255|-0.00045511|0.00113966|-0.00048535|-0.00125790|-0.00225857|0.00000114|-0.00377357|-0.01617610|-0.02698615|-0.07671037|-0.03937354|0.01397315|0.72838236|-0.00000189|0.00000237|0.00000285|0.00005401|-0.00001002|-0.00001119|0.00005044|-0.00005047|-0.00002124|0.00007491|0.00014589|0.00004945|-0.00002411|-0.00021859|-0.00029306|0.00065202|-0.00073485|0.00084658|-0.00197631|0.00193098|-0.00129460|-0.00606878|-0.01603402|-0.01458404|-0.01905680|-0.24757828|-0.09473356|0.11487950|0.47730778|0.00001720|-0.00001605|-0.00000294|-0.00014351|-0.00002327|-0.00001850|0.00001556|0.00003489|-0.00013815|0.00006756|-0.00005916|0.00088527|-0.00024403|0.00010945|-0.00015471|0.00108528|0.00144516|-0.00208131|0.00371733|-0.00176527|0.00373087|0.00279170|0.00888515|0.00895760|0.01794908|-0.14287092|-0.08146509|-0.06926308|0.20095088|0.59434740|-0.00005731|0.00000589|0.00006800|0.00090965|0.00027509|-0.00003071|0.00004511|-0.00004007|0.00005611|-0.00002607|-0.00026451|-0.00088108|0.00098696|0.00044675|-0.00010486|-0.00046776|-0.00896223|0.00497796|-0.04872448|-0.00401239|0.00538768|0.00619356|-0.01345416|0.02012612|-0.09675366|0.06350739|-0.02598887|-0.11375590|-0.01048387|-0.08185119|0.53513250|-0.00004701|0.00002653|0.00001995|0.00022931|0.00006043|-0.00007937|-0.00021114|0.00033682|-0.00020856|0.00026276|-0.00137920|0.00054943|0.00086012|0.00029256|-0.00065813|-0.00170949|-0.00445301|0.00360072|-0.02095983|-0.00090988|-0.00000172|-0.00190384|-0.02501510|0.03257603|-0.00921853|-0.17531045|0.07668978|0.02773018|-0.02289940|-0.00090248|-0.03710676|0.33024581|0.00001329|0.00003550|-0.00006710|0.00000899|-0.00012615|0.00001222|0.00006544|-0.00010239|0.00007942|0.00013537|0.00030378|-0.00067522|-0.00042262|-0.00054212|0.00124420|0.00137204|0.00255604|-0.00165746|0.01648982|0.00618933|0.00103083|0.00077322|0.00501992|-0.01309995|-0.01419899|0.09722728|-0.07413650|-0.02733753|-0.03134204|-0.24272896|0.10187072|-0.07986508|0.43328843|0.00014260|0.00003703|-0.00014350|-0.00119478|-0.00033553|0.00027361|0.00012646|-0.00019956|0.00003783|-0.00096380|0.00220329|0.00077394|0.00616934|-0.00531258|-0.00014791|-0.01615707|-0.02585235|0.02231582|-0.10359420|-0.02848283|0.01873676|0.00707271|0.01436092|-0.00609016|-0.01828674|0.01500686|-0.00764946|-0.01619841|0.00256099|-0.00305080|-0.24331516|0.02063165|-0.03428438|0.54371051|0.00010429|-0.00000277|-0.00004673|-0.00030822|-0.00014344|0.00004055|0.00057494|-0.00101836|0.00017957|0.00055200|0.00247894|-0.00092009|0.00041883|-0.00379253|-0.00716587|-0.00902899|0.01241268|0.01801415|-0.01010317|-0.17188638|0.04058556|0.00052876|-0.01940828|0.01905461|0.04401804|-0.01218952|0.00551610|-0.01707871|-0.00455445|0.00569378|-0.01063521|-0.09257113|-0.00494036|-0.06887131|0.65405525|-0.00021558|0.00018435|0.00022548|0.00072096|0.00070199|-0.00012220|0.00003229|-0.00030859|-0.00038348|0.00116688|-0.00134168|0.00065273|-0.00658772|-0.00247528|-0.01306592|0.01451081|0.01525049|0.02836100|0.00707619|0.04383310|-0.13251572|0.00077276|0.01832172|0.00790002|-0.00540864|0.00487960|-0.00931878|-0.04321514|0.00715755|-0.01256783|0.02212430|-0.01437541|-0.08673966|0.04376290|0.04026923|0.63814349|-0.30447701|-0.03745669|0.08466688|-0.01616758|0.00093801|0.01131534|0.00051664|-0.00043022|-0.00005392|-0.00092467|0.00023548|-0.00000664|-0.00081954|-0.00214667|-0.00368920|-0.00015806|-0.00087204|0.00005215|0.00004886|0.00014367|-0.00020845|-0.00001530|0.00000235|0.00010309|0.00005252|0.00004389|-0.00000923|0.00001776|-0.00000750|0.00001553|-0.00014309|-0.00001133|-0.00001271|0.00015334|0.00006712|-0.00000564|0.33089175|-0.03670312|-0.06461089|0.01237814|-0.01789498|-0.00172087|0.01068328|0.00099519|0.00035919|0.00065205|-0.00075794|0.00048325|0.00035509|-0.00283109|-0.00142675|-0.00362502|-0.00037758|-0.00069700|-0.00016802|-0.00028276|0.00022351|-0.00017862|-0.00000746|0.00002779|0.00013843|0.00001073|0.00003015|0.00000384|0.00001001|-0.00000383|0.00000638|-0.00004473|-0.00000452|-0.00000122|0.00007717|0.00000022|-0.00011358|0.04238572|0.06202180|0.08671250|0.01295377|-0.09187325|-0.02542027|-0.00072908|0.01250631|0.00100843|0.00011408|0.00081159|-0.00100265|0.00013463|0.00030740|-0.00225482|-0.00339069|-0.00310361|-0.00038069|-0.00033525|0.00010711|-0.00016756|0.00019618|-0.00011576|-0.00003209|-0.00001444|0.00006029|-0.00000696|0.00003216|-0.00001032|0.00000782|0.00000018|-0.00000082|-0.00000931|-0.00000678|0.00004017|0.00002230|0.00000555|-0.00010610|-0.09559056|-0.01307116|0.09204821|-0.10986085|0.10940957|0.01813397|0.01079286|-0.02171317|-0.00308705|-0.00183900|-0.00152198|-0.00342653|0.00060051|-0.00068945|0.00015565|0.00089670|0.00131111|0.00146588|0.00031492|0.00007213|0.00006027|-0.00021712|0.00006570|-0.00002659|0.00000212|-0.00000568|-0.00002845|-0.00003233|-0.00001258|0.00001236|0.00000303|-0.00000131|-0.00000904|0.00006080|0.00002740|-0.00000160|-0.00003346|-0.00009133|-0.00004420|-0.01345432|0.03270090|0.00436884|0.11296215|0.10780942|-0.28814912|-0.03771244|0.01036538|-0.01834667|-0.00156935|-0.00204359|0.00090398|-0.00287428|0.00033772|-0.00098065|0.00009825|-0.00057843|0.00114354|0.00068674|0.00005128|0.00025020|0.00032934|-0.00040784|0.00010699|-0.00010478|-0.00001108|-0.00000012|0.00004124|-0.00004000|0.00000277|0.00002305|0.00002577|-0.00001204|-0.00000171|0.00000878|0.00006433|-0.00000822|0.00002293|-0.00016726|-0.00020529|-0.00201803|0.00802878|0.00095738|-0.11968037|0.31096509|0.01693668|-0.03662605|-0.06614411|0.01482126|-0.02592628|-0.00345192|-0.00376631|0.00001669|-0.00279901|0.00029216|-0.00111995|0.00012677|-0.00028254|0.00121358|0.00088490|0.00011938|0.00007638|0.00029703|-0.00019904|0.00014165|-0.00007051|-0.00001017|-0.00001629|0.00000871|-0.00002624|-0.00000442|0.00001851|0.00001269|-0.00000991|0.00000190|-0.00000640|0.00005168|-0.00003713|0.00004376|-0.00006940|-0.00003221|0.00467765|-0.01146592|-0.00240212|-0.01797091|0.04341600|0.06512747|-0.05932886|0.00412122|-0.00570160|-0.00112131|0.01090767|-0.01954419|0.00038347|0.00055938|0.00096539|0.00030043|-0.00002580|-0.00023467|0.00151898|0.00121483|0.00077766|-0.00041200|0.00027209|0.00019091|0.00011283|-0.00005193|0.00000879|-0.00000640|-0.00001035|-0.00003818|-0.00000449|0.00000443|-0.00001463|0.00000357|0.00000519|-0.00001409|0.00002937|-0.00001582|0.00005829|-0.00007520|-0.00001429|-0.00003837|0.00401364|-0.01813677|0.03143397|-0.00042483|0.00730479|-0.01515562|0.05635651|0.00505128|-0.12893627|0.12456888|-0.00081855|0.01026543|-0.02024253|0.00024309|0.00166541|-0.00057164|0.00009785|0.00033854|-0.00023796|0.00144104|0.00060264|0.00041817|0.00015923|0.00021671|0.00033993|-0.00004028|-0.00003305|0.00006448|0.00000578|-0.00000055|-0.00000473|-0.00001541|-0.00001283|0.00001730|-0.00000264|-0.00000387|0.00000484|0.00001096|0.00001012|-0.00003925|-0.00001500|-0.00000918|0.00001716|-0.00002667|-0.00256863|0.00267352|-0.00048073|-0.01499151|0.02994638|-0.00326015|0.13512981|-0.00818568|0.12125973|-0.27573212|0.00076495|0.01468541|-0.02473636|0.00017278|0.00128833|0.00049687|0.00021498|0.00023724|0.00028776|0.00051973|-0.00028165|0.00298519|-0.00016745|0.00013015|0.00021944|0.00013074|-0.00003272|-0.00001405|-0.00001972|-0.00002411|-0.00002515|0.00001210|0.00001888|-0.00001494|0.00000886|0.00000519|-0.00000995|-0.00002298|-0.00002882|0.00006121|-0.00002868|0.00000804|-0.00006512|-0.00001615|0.00463359|-0.00892434|-0.00052395|-0.00273389|0.00748625|0.00979214|-0.13407578|0.29956665|0.00148530|0.01028699|-0.01851519|-0.06230382|0.00864235|-0.01849204|-0.00018637|0.00671407|-0.01311326|-0.00095861|0.00372372|0.00197575|-0.01353198|-0.02618580|0.03999921|0.00655931|-0.00201189|-0.00088512|-0.00020213|0.00003179|-0.00003060|-0.00005472|-0.00015548|-0.00028045|-0.00001900|-0.00001107|0.00003837|-0.00000670|-0.00001724|0.00004484|-0.00007412|0.00008621|-0.00014498|0.00029837|0.00021549|0.00023920|0.00044690|0.00065568|0.00087221|0.00062558|-0.00036038|0.00076586|-0.00161956|-0.00272732|-0.00331863|0.06833407|-0.00163997|0.01182043|-0.01965753|0.00353899|-0.12817482|0.11457045|0.00228180|-0.01534523|0.02884323|0.00115370|0.00037152|0.00029839|-0.00379558|-0.00320548|0.00824509|0.00099913|0.00101850|-0.00200673|0.00024577|0.00023870|-0.00041384|-0.00009301|-0.00001116|0.00018958|0.00000665|0.00005481|0.00000555|0.00000211|-0.00000620|0.00003452|-0.00009040|0.00004665|-0.00004038|0.00023550|-0.00010414|-0.00009887|0.00049896|0.00056290|0.00108387|0.00084527|0.00100465|0.00079405|-0.00275310|-0.00158590|-0.00380096|-0.00016931|0.13719456|-0.00183351|0.01334648|-0.02172577|-0.01431759|0.11240034|-0.27087123|0.00003714|-0.00427947|0.00853596|0.00071112|-0.00073795|-0.00121109|0.00962533|0.00917367|-0.01191998|-0.00299515|0.00028011|0.00233555|0.00024281|-0.00054151|0.00069865|0.00001774|-0.00004211|-0.00021733|0.00000024|-0.00004185|-0.00002726|-0.00000642|0.00002183|-0.00003963|0.00006613|-0.00010550|0.00012972|-0.00043870|0.00007254|0.00011959|-0.00073326|-0.00002836|0.00085955|0.00089147|-0.00020543|0.00071067|-0.00311887|-0.00334615|-0.00253311|0.01166125|-0.12595824|0.29217902|-0.00004511|-0.00033236|-0.00023195|-0.00265755|0.00079334|-0.00298789|-0.12846797|0.03223247|0.11823264|-0.00642412|0.00781516|0.02914739|-0.00534955|0.00394014|-0.00085016|0.00013206|0.00067108|0.00182338|0.00006025|0.00014711|-0.00019835|-0.00011700|-0.00017410|-0.00012543|0.00001965|0.00006955|-0.00000492|0.00001865|-0.00000814|0.00005326|-0.00017609|0.00008963|-0.00003911|0.00019717|0.00001239|0.00007568|0.00001246|-0.00006635|0.00004819|-0.00014935|-0.00025226|0.00009426|0.00007942|-0.00000084|0.00023242|0.00068503|0.00103715|-0.00007580|0.13258150|0.00222409|-0.00260043|0.00033157|0.01360279|0.00277610|-0.03050008|0.03259030|-0.07881030|-0.05973378|-0.00121504|-0.00034233|0.01138893|0.00238222|-0.00443064|0.00025132|0.00171473|0.00120538|-0.00117639|0.00038092|-0.00050690|0.00043530|0.00010121|0.00008618|-0.00006107|-0.00000806|-0.00006046|0.00002782|0.00000752|-0.00000813|0.00000477|0.00002725|0.00007338|-0.00003408|-0.00004895|-0.00012870|-0.00000965|-0.00041254|-0.00008201|-0.00005100|-0.00073991|-0.00079273|-0.00054859|0.00004313|0.00005186|0.00003348|-0.00104503|0.00236190|0.00111125|-0.04052191|0.07465833|0.00063506|-0.00068806|-0.00008648|-0.00115963|0.00283749|-0.00147242|0.12039410|-0.06103208|-0.27307681|-0.00296562|0.00182109|0.00434217|-0.00056071|-0.00013649|0.00124947|-0.00026880|0.00065725|0.00024187|-0.00009363|-0.00003963|0.00003789|-0.00001155|-0.00002171|-0.00009813|-0.00002585|-0.00001408|-0.00001169|-0.00001292|0.00000706|-0.00001085|0.00008618|-0.00001058|0.00002206|-0.00007235|0.00005633|0.00004365|-0.00018520|-0.00013376|0.00000006|-0.00024173|-0.00030358|-0.00003205|0.00006041|0.00011771|0.00036492|0.00009543|-0.00014866|0.00145719|-0.13046795|0.06505279|0.28814955|0.00054394|0.00019304|-0.00030643|-0.00033805|-0.00159691|0.00148832|-0.11503190|0.05625444|-0.09743530|-0.01220703|0.01537895|-0.03113177|-0.00031957|0.00005929|0.00091549|-0.00049114|0.00038527|0.00112418|0.00020711|0.00014132|-0.00005763|0.00002368|-0.00001359|-0.00004090|0.00002196|0.00001677|-0.00001855|0.00005323|-0.00000634|-0.00004508|-0.00007876|-0.00001556|0.00008666|0.00010860|0.00007934|-0.00012928|0.00006895|0.00008001|0.00024559|-0.00001646|-0.00000607|0.00019396|0.00018349|0.00020290|0.00028444|0.00005491|-0.00110020|-0.00006534|0.01074433|-0.00922679|0.01427487|0.12010885|-0.00069264|0.00303567|0.00175235|0.01435010|-0.01285595|0.03341812|0.05682968|-0.11210918|0.09779265|-0.00590402|0.00480818|-0.01241147|-0.00041513|-0.00063401|-0.00075958|0.00116704|-0.00019943|-0.00062012|0.00009440|0.00018555|0.00001208|0.00001485|0.00002402|0.00002437|-0.00002156|-0.00002200|0.00000409|0.00000490|-0.00000333|-0.00002377|0.00005667|0.00001604|-0.00001990|0.00002421|0.00001715|0.00005253|-0.00031980|-0.00025600|-0.00011493|0.00016280|0.00066053|-0.00008236|-0.00028467|-0.00014413|-0.00136145|0.00294135|-0.00593418|-0.00218252|-0.00544116|0.00572423|-0.00743208|-0.06081024|0.11682500|-0.00017556|-0.00047871|0.00106725|0.00328820|-0.00146103|0.00474622|-0.09974858|0.09890110|-0.24504232|0.00067097|-0.00105872|0.00012860|0.00026252|-0.00018543|-0.00029389|0.00002927|-0.00006150|-0.00004005|0.00016233|0.00004790|-0.00008703|-0.00003581|-0.00001902|0.00000122|0.00000455|0.00001281|-0.00000453|0.00002044|-0.00000231|-0.00001370|-0.00004772|0.00000950|0.00002434|0.00002688|-0.00001245|0.00001011|0.00001480|0.00013700|-0.00000103|0.00009526|-0.00000349|0.00024779|0.00029562|0.00019024|0.00044901|0.00036250|-0.00094906|0.00089546|-0.01396867|0.01361940|-0.02269641|0.10925522|-0.10801651|0.25827279|0.00043060|-0.00068500|0.00001306|-0.00168543|0.00155113|0.00050776|-0.01102757|0.00210773|-0.03405632|-0.10372165|-0.00180461|-0.09758498|0.00402867|0.00298448|0.00612808|0.00352062|-0.00147289|0.00226166|-0.00071586|-0.00091341|-0.00051476|0.00004564|0.00002461|-0.00012791|0.00000169|-0.00004933|0.00001568|-0.00003246|-0.00001138|-0.00000447|0.00005453|0.00002000|-0.00005618|0.00002297|-0.00012349|0.00021647|0.00005677|0.00013965|0.00005062|-0.00000132|-0.00025323|-0.00010649|0.00000671|0.00006107|0.00025751|0.00012678|-0.00069407|0.00009425|0.00255579|0.00163003|0.00058597|-0.00622186|-0.00330226|-0.00017351|0.10447990|-0.00101709|-0.00006617|0.00050825|0.00378488|0.00034816|-0.00167206|0.00057406|0.00007784|0.00242081|0.00190743|-0.06511792|0.01195427|-0.01511722|-0.01172429|-0.03873329|-0.00495283|0.00633831|-0.00005432|0.00175363|0.00070666|0.00096603|0.00004695|0.00000858|-0.00011757|-0.00000605|-0.00002390|0.00002245|-0.00001285|-0.00000067|0.00006498|-0.00004637|0.00006625|-0.00003067|-0.00002825|-0.00007947|-0.00033046|-0.00028495|-0.00016157|-0.00010502|0.00014676|0.00018452|0.00006721|0.00011696|-0.00005041|0.00014658|-0.00022183|-0.00021807|0.00053872|-0.00028551|0.00093833|-0.00020121|0.00086760|0.00029294|-0.00034297|0.00106245|0.06618618|-0.00058283|-0.00011900|0.00045363|0.00163154|0.00011521|-0.00138732|0.00170194|0.00049089|0.00623154|-0.09712981|0.00924460|-0.29407331|-0.00523099|-0.01293651|-0.01774399|-0.00201902|0.00307559|0.00221261|0.00117438|-0.00009494|0.00068402|-0.00000699|-0.00013646|-0.00034976|-0.00012730|-0.00010861|0.00001553|0.00017766|-0.00003980|-0.00027899|0.00008010|0.00005381|0.00019870|-0.00019714|-0.00028139|-0.00017038|-0.00022392|-0.00012839|-0.00007514|0.00007484|0.00005500|-0.00000237|0.00017281|0.00011199|0.00008704|-0.00054888|-0.00039882|0.00037042|-0.00102079|-0.00016929|0.00124621|0.00131284|0.00008806|0.00107782|0.10882976|-0.00117896|0.31879317|0.00095836|-0.00120047|0.00031203|-0.00385425|-0.00163390|-0.00133747|-0.00458474|-0.02362591|0.01986301|-0.10475865|-0.07917300|0.05948138|0.00363357|0.00266434|-0.00740400|-0.00013694|0.00140962|-0.00008517|0.00040842|-0.00008829|-0.00000734|-0.00003344|-0.00006098|0.00002570|-0.00005184|-0.00001319|0.00002571|0.00002890|-0.00000659|0.00000551|-0.00006250|0.00009903|0.00012961|-0.00098941|0.00004363|0.00013890|0.00003986|0.00013634|0.00015282|-0.00027469|-0.00026329|-0.00043463|0.00000536|0.00007398|-0.00007701|0.00027747|-0.00044301|0.00009797|-0.00356011|-0.00157837|-0.00013472|0.00269388|0.00145396|-0.00032151|0.00793739|0.01131831|-0.00827867|0.10407976|-0.00094847|0.00014578|0.00098951|0.00142204|-0.00447988|-0.00211740|-0.00031477|0.00391808|-0.00250903|-0.07570489|-0.21917007|0.11891272|-0.01161173|-0.02333056|0.00865686|-0.00017041|-0.00270782|0.00135539|-0.00138646|-0.00064265|0.00076657|0.00016109|0.00013638|-0.00019865|-0.00020695|-0.00022841|0.00026809|0.00009294|-0.00010005|0.00016685|-0.00019037|0.00087044|-0.00036649|-0.00000842|-0.00106380|-0.00056993|-0.00030495|-0.00021076|-0.00034064|0.00012458|0.00001088|0.00006287|0.00001711|0.00004336|-0.00009786|-0.00057726|-0.00007230|0.00057273|0.00022488|-0.00019394|-0.00035936|-0.00094853|0.00055396|-0.00035659|-0.00029569|0.00253217|0.00176924|0.08958930|0.24295722|-0.00069705|-0.00025751|0.00037115|-0.00031455|-0.00338678|-0.00024435|-0.00217940|-0.00128825|-0.00007074|0.05986767|0.12214025|-0.15287733|-0.00860534|-0.01356238|0.01316175|0.00018403|-0.00239615|0.00132884|0.00001293|0.00041332|-0.00038322|0.00007345|0.00009434|0.00002656|0.00010786|0.00002324|-0.00012752|-0.00008747|0.00004295|-0.00009944|0.00022484|-0.00038791|-0.00004855|0.00056238|0.00064086|0.00022984|-0.00011102|-0.00008835|-0.00016501|0.00007566|0.00004961|0.00006583|0.00005614|0.00008685|0.00001200|-0.00060197|-0.00057847|0.00023507|0.00022580|0.00001487|0.00032637|0.00005993|-0.00006557|0.00123867|0.01338872|0.02622063|-0.01729104|-0.06265435|-0.12660874|0.15433326|-0.00014604|0.00005164|0.00010975|0.00062067|0.00026369|-0.00056843|0.00000366|0.00001466|-0.00006608|0.00014955|-0.00117657|0.00017268|-0.00206750|0.00048662|-0.00312416|0.00184392|0.00013778|0.00221078|0.00013167|0.02488077|0.01846766|-0.05791835|-0.01100879|-0.00649337|0.00000156|-0.02818687|-0.02287405|-0.00596526|-0.00245681|0.00237893|0.00098147|-0.00019651|0.00035426|-0.00217404|-0.00018095|-0.00115452|-0.00005555|-0.00007349|-0.00003945|0.00000466|-0.00004933|-0.00000672|0.00001051|0.00000622|-0.00000433|0.00003531|-0.00004735|0.00009327|-0.00003043|0.00001829|0.00002917|-0.00005176|0.00000753|-0.00000762|0.00003799|0.00002513|0.00014208|0.00002126|0.00010716|-0.00005245|0.06174628|0.00008715|-0.00004589|-0.00007506|-0.00041658|-0.00017678|0.00024555|-0.00003058|0.00004079|0.00004804|-0.00025782|0.00066757|-0.00008985|0.00179619|-0.00032636|0.00235838|-0.00195077|0.00094596|-0.00177130|0.00036828|-0.01736150|-0.01146243|-0.01497974|-0.24327774|-0.13549984|0.00042062|-0.01342381|-0.01137352|-0.00326397|0.00022750|0.00118740|0.00049250|-0.00020980|0.00022673|0.00102103|-0.00052476|0.00138931|0.00003225|0.00004906|0.00003010|0.00000371|0.00004714|0.00000316|-0.00000463|-0.00001014|0.00000600|-0.00000254|0.00004292|-0.00006750|0.00001483|-0.00001206|-0.00002044|0.00002244|-0.00000823|0.00000521|-0.00001964|-0.00003399|-0.00007326|-0.00001834|-0.00002766|0.00000693|0.01549221|0.26193743|-0.00000674|-0.00001835|0.00000981|-0.00000479|-0.00003710|-0.00009414|0.00001460|-0.00000513|-0.00001996|0.00000162|-0.00011332|-0.00006426|0.00008783|-0.00019576|-0.00050695|0.00051626|0.00040026|0.00166016|0.00134185|0.00797873|0.00702604|-0.00990674|-0.13407305|-0.15840071|-0.00014897|0.00810671|0.00624679|0.00100959|0.00088347|0.00010148|0.00003580|-0.00079946|0.00034063|-0.00028184|-0.00038631|-0.00185371|-0.00000014|-0.00000170|-0.00000294|0.00000308|0.00000755|0.00001611|-0.00000532|0.00001202|-0.00000160|0.00002151|-0.00000741|-0.00000787|0.00000582|-0.00000080|0.00000255|0.00000011|0.00000114|0.00000374|0.00002089|-0.00001500|0.00003266|0.00000438|0.00001749|0.00000105|0.01039698|0.14778245|0.16512080|0.00000557|-0.00003011|0.00002262|0.00031411|0.00014649|0.00007794|-0.00007110|0.00008964|0.00000753|-0.00023938|-0.00038973|0.00002767|-0.00130405|0.00159534|0.00063323|0.00285914|-0.00061846|0.00059369|0.00151389|0.00728782|-0.02907614|-0.05817314|-0.00440028|0.01006527|0.00276604|-0.00984352|0.03056236|0.00247688|0.00312198|-0.00168184|-0.00399914|-0.00459857|0.00359956|-0.00395357|0.00295685|0.00008378|-0.00002717|-0.00000376|-0.00000343|0.00000575|0.00000296|-0.00001448|0.00001143|0.00000136|0.00000910|-0.00008457|-0.00000772|0.00008146|-0.00004902|0.00001569|-0.00000067|-0.00003065|0.00000588|0.00000536|0.00000619|0.00004364|0.00010612|0.00002904|0.00001657|-0.00000426|0.00091523|0.00076740|-0.00206713|0.05780773|-0.00001721|0.00002026|-0.00000416|-0.00003882|-0.00002681|-0.00011493|0.00004436|-0.00003857|-0.00004342|0.00016869|0.00005111|0.00017576|0.00036613|-0.00099732|-0.00118078|-0.00243114|0.00170368|0.00050180|-0.00064692|-0.00707183|0.02171372|-0.00319441|-0.08128291|0.08129607|0.00143188|-0.00521658|0.01582985|0.00090248|0.00185301|0.00064178|-0.00162166|-0.00431387|0.00252814|0.00007446|-0.00254371|-0.00023419|0.00000581|-0.00000210|0.00000119|0.00000022|-0.00000275|-0.00000156|-0.00000409|-0.00000609|-0.00000347|0.00006413|0.00000661|-0.00001824|0.00003996|-0.00000523|0.00000373|0.00000369|-0.00000732|-0.00000454|0.00000890|-0.00003223|-0.00006054|-0.00001815|0.00004197|-0.00004018|0.00126574|0.01169904|-0.03019704|0.00418399|0.08735757|-0.00001886|-0.00001190|0.00002145|0.00009214|0.00010027|-0.00013244|-0.00003193|0.00003579|0.00003433|-0.00011174|-0.00014111|-0.00006064|-0.00045990|0.00044801|0.00053940|0.00076276|-0.00087187|0.00109195|0.00111065|0.00117926|-0.00324540|0.00937925|0.08377979|-0.32647579|0.00045062|0.00020268|-0.00207822|-0.00015587|0.00024349|0.00135512|0.00027523|-0.00149450|0.00090921|-0.00014356|0.00002011|0.00000066|-0.00002176|-0.00000488|-0.00000198|0.00000602|0.00000204|-0.00001835|0.00001126|-0.00000758|0.00001048|-0.00002359|-0.00000835|0.00004359|-0.00003228|0.00001033|0.00000471|-0.00001436|-0.00000430|0.00000008|0.00002408|0.00000066|0.00003591|0.00000501|-0.00001484|0.00001379|0.00063492|0.00592095|-0.02055560|-0.01206779|-0.09097953|0.34867677|-0.00003027|-0.00000178|0.00003565|0.00026528|0.00017966|-0.00007109|-0.00005246|0.00001680|0.00004619|-0.00008350|-0.00021328|-0.00017086|-0.00048660|0.00033097|0.00006966|-0.00164747|0.00082208|-0.00039487|-0.00184908|-0.00346243|0.00160773|-0.01321851|0.01416535|0.00678453|-0.26928004|0.11516392|0.09343022|0.01114001|-0.00478207|-0.00599001|-0.00399216|0.00381144|0.00110442|0.00015670|0.00187977|0.00100130|-0.00003956|-0.00001642|-0.00001119|0.00001603|0.00000017|0.00000217|0.00000216|0.00000961|-0.00001179|-0.00001498|-0.00002949|0.00002393|-0.00004601|0.00002368|0.00001820|-0.00002132|0.00001798|-0.00001275|0.00001622|0.00000268|0.00004655|-0.00000705|0.00003960|0.00002241|0.00120190|-0.00009925|-0.00074343|-0.00159899|-0.00071801|0.00041873|0.27952228|-0.00002319|0.00000288|0.00002021|0.00008213|0.00011668|-0.00008491|-0.00006673|0.00006015|0.00003117|-0.00010053|-0.00026974|-0.00003127|-0.00042846|0.00025838|-0.00002179|-0.00159233|0.00140056|-0.00063950|-0.00197235|-0.00418375|0.00233176|-0.01644809|0.01491804|0.00485520|0.11358785|-0.12646733|-0.05190107|0.01654185|-0.01013037|-0.00435291|0.01641466|-0.01454476|-0.00275343|-0.00168534|-0.00382880|-0.00238419|-0.00001113|-0.00000660|-0.00000692|0.00000728|0.00000969|0.00000720|-0.00000244|0.00000401|-0.00000656|0.00001718|-0.00001034|0.00000050|-0.00001026|0.00002189|0.00000292|-0.00000149|0.00000811|-0.00000101|0.00001228|0.00000696|0.00005227|0.00000909|0.00013294|-0.00004702|0.00123811|0.00116158|-0.00021061|-0.00023198|-0.00026869|0.00066225|-0.12652425|0.14197314|0.00000385|0.00000279|-0.00000515|-0.00005734|-0.00004407|0.00003427|0.00002494|-0.00005308|0.00000291|0.00005299|0.00013358|-0.00009220|0.00001251|-0.00021563|-0.00005721|0.00047865|-0.00023694|0.00034776|-0.00085192|0.00254615|-0.00095815|0.00430890|-0.00504026|-0.00029380|0.09949997|-0.05786487|-0.09399663|0.02323296|-0.00519618|-0.01026593|-0.02607260|0.00815995|0.01317078|-0.00080169|0.00589869|0.00100062|0.00000879|0.00000061|0.00000096|-0.00000425|-0.00000482|-0.00000174|0.00000134|-0.00000105|0.00000281|-0.00000931|0.00000110|0.00000227|0.00000469|-0.00000995|-0.00000137|0.00000960|-0.00000077|0.00000291|-0.00000652|-0.00001424|0.00002105|-0.00001639|-0.00008739|0.00003615|-0.00039286|0.00048439|0.00072520|0.00007407|0.00018295|-0.00031148|-0.09681490|0.05394544|0.08911078|-0.00000913|-0.00000390|0.00001248|0.00015974|0.00004285|-0.00001740|0.00000474|0.00000423|-0.00000632|-0.00000484|-0.00011474|0.00001648|-0.00015696|0.00021468|-0.00004054|0.00016196|-0.00040722|0.00018810|0.00019449|0.00054947|-0.00024290|0.00022845|0.00053822|0.00146026|0.00772608|0.00385911|-0.00121530|-0.32013871|-0.12029350|-0.01370245|-0.00818624|-0.00357342|-0.00407932|0.00088424|-0.00161292|-0.00202057|-0.00002453|-0.00000831|-0.00000131|0.00000778|0.00000171|-0.00000215|0.00000495|0.00000238|-0.00000414|-0.00001705|-0.00001064|0.00001681|-0.00002779|0.00000525|0.00001491|-0.00002199|0.00000333|-0.00001110|0.00000842|0.00000320|-0.00002099|0.00000522|-0.00001193|0.00000089|0.00037301|0.00030075|-0.00009301|-0.00013693|0.00005415|-0.00013160|0.00016243|-0.00056526|-0.00102692|0.33469254|-0.00000505|-0.00000980|0.00000938|0.00006680|0.00004226|-0.00004220|-0.00001955|0.00001695|0.00001721|-0.00004992|-0.00010818|-0.00008255|-0.00010075|0.00014655|-0.00004758|-0.00039184|0.00022851|0.00010494|0.00017221|-0.00082218|0.00048788|0.00094289|-0.00243922|-0.00607554|-0.03357276|-0.00817036|0.00309150|-0.12261785|-0.11132390|-0.01515644|0.01422242|0.00583335|-0.00784130|0.00125698|0.00093366|0.00376413|-0.00001336|-0.00000163|-0.00000086|0.00000752|0.00000996|0.00000402|-0.00000011|0.00000385|-0.00000329|0.00000695|-0.00000822|0.00000147|-0.00001327|0.00000908|0.00000581|-0.00000206|0.00000795|-0.00000136|0.00000619|0.00000045|0.00003935|0.00000345|0.00003590|0.00000333|-0.00180262|-0.00084117|0.00022281|0.00018335|0.00006708|0.00013910|0.00151787|0.00138711|0.00203363|0.13034588|0.10910945|-0.00000300|0.00000343|-0.00000091|0.00003516|0.00000339|0.00001010|-0.00000592|-0.00001189|0.00003565|-0.00001307|-0.00000297|-0.00023366|0.00006859|-0.00007193|0.00016475|-0.00047794|-0.00032552|0.00043893|-0.00130005|0.00054312|-0.00052283|0.00000017|0.00117416|0.00019693|-0.00072741|-0.00157503|-0.00529886|-0.00776593|-0.01134457|-0.05696072|-0.03443047|-0.01174724|-0.00630915|0.00095306|-0.00519521|-0.00387186|-0.00000533|-0.00000123|0.00000223|0.00000321|0.00000410|-0.00000048|0.00000548|-0.00000184|0.00000230|-0.00001850|-0.00000779|0.00001001|-0.00001157|0.00000057|0.00000360|0.00001255|0.00000613|0.00000197|-0.00000063|-0.00000733|0.00007275|0.00000359|-0.00003020|0.00001744|0.00024999|0.00020767|0.00011605|-0.00000796|-0.00025039|0.00021107|-0.00028011|-0.00105545|0.00093565|0.02308350|0.01732868|0.06501994|0.00000444|-0.00000298|-0.00000377|-0.00002676|-0.00001697|0.00000641|0.00000827|-0.00001430|0.00000381|0.00001499|0.00002895|0.00000118|-0.00005249|-0.00001026|-0.00001703|0.00004477|-0.00000841|-0.00020501|0.00069168|-0.00051244|-0.00023099|0.00041872|-0.00122584|-0.00054018|-0.00290792|-0.00074851|-0.00135458|-0.20094175|0.04299955|0.14512831|0.01306654|-0.00667009|-0.01317482|0.00189322|0.00039926|-0.00112989|0.00000442|0.00000178|0.00000104|-0.00000202|-0.00000092|0.00000044|-0.00000172|0.00000101|-0.00000088|0.00000287|0.00000593|-0.00000454|0.00001148|-0.00000233|-0.00000378|0.00000651|0.00000260|-0.00000003|-0.00003039|0.00002453|0.00002647|0.00000319|0.00001092|0.00001156|-0.00009400|0.00004339|-0.00015515|0.00034416|0.00031204|0.00001910|0.00060207|0.00016527|0.00045785|-0.01532544|0.00910742|0.02182521|0.20160483|0.00000534|-0.00000178|-0.00000461|-0.00006077|-0.00001504|0.00000434|0.00002243|-0.00002835|0.00000231|0.00002453|0.00015179|-0.00004917|0.00002640|-0.00023618|0.00008288|-0.00036194|0.00029650|0.00000804|-0.00001853|-0.00009812|-0.00071681|0.00145877|0.00215816|0.00198059|0.02647115|-0.00487686|-0.02693125|0.03998959|-0.06982549|-0.05448589|-0.01060495|-0.00022056|0.01210607|-0.00092286|0.00136026|-0.00248255|0.00000640|0.00000325|0.00000199|-0.00000373|-0.00000452|-0.00000522|0.00000230|-0.00000302|0.00000602|-0.00000979|-0.00000480|0.00000863|0.00000657|-0.00000302|-0.00000313|0.00000732|-0.00000516|0.00000383|0.00000960|0.00001944|-0.00001437|0.00001103|-0.00004550|0.00004290|0.00052466|0.00036251|0.00032158|-0.00056774|-0.00051826|0.00073424|-0.00241508|-0.00232914|-0.00486064|-0.00905188|0.00573674|0.01183082|-0.04407900|0.06860395|0.00000502|0.00000503|-0.00001383|-0.00006491|-0.00002926|0.00002565|-0.00002106|0.00000033|0.00004439|-0.00002654|0.00002427|-0.00026546|0.00020404|-0.00014965|0.00021608|-0.00067790|-0.00006797|0.00015273|-0.00053452|-0.00023445|-0.00014227|0.00080428|-0.00067937|0.00006848|-0.00500121|0.00155340|-0.00285261|0.13720356|-0.05286352|-0.20706950|0.01825469|-0.01429445|-0.03071152|0.00453165|0.00010425|0.00332067|0.00000809|0.00000532|0.00000503|0.00000006|0.00001090|0.00000362|0.00000162|-0.00000399|0.00000299|0.00000029|0.00000432|-0.00000760|0.00000463|-0.00000263|-0.00000261|0.00002672|0.00000539|0.00000737|0.00000101|-0.00002837|0.00012118|-0.00001966|-0.00000173|-0.00001347|-0.00021690|-0.00003834|0.00007856|-0.00041806|-0.00043755|0.00006985|0.00019171|0.00120170|0.00094953|-0.00209404|0.00182881|0.00587927|-0.15109168|0.06268387|0.22951919|0.00005957|-0.00002894|-0.00002819|0.00025429|0.00022123|0.00003816|-0.00007245|-0.00013041|0.00001569|-0.00182789|-0.00099055|0.00079812|-0.00158302|0.00036693|-0.00168885|0.00079424|0.00052201|0.00333331|0.00720633|-0.01226307|-0.00937414|-0.00136187|-0.00153390|0.00225377|-0.00708188|0.00006775|0.00479857|0.00385828|-0.00046638|0.00272668|-0.02027969|0.03887931|0.00760821|-0.08239199|0.07073438|0.02747291|-0.00000633|0.00000437|0.00001581|-0.00000328|0.00001062|0.00000226|0.00000084|-0.00000050|0.00000113|0.00002294|0.00002348|0.00002845|0.00005133|0.00002103|0.00001431|0.00005743|0.00004588|0.00002411|0.00007857|0.00031766|0.00000866|-0.00181443|0.00071750|0.00041219|-0.00007578|0.00015414|-0.00011597|0.00058398|-0.00023127|0.00002306|-0.00068569|0.00159118|-0.00210549|0.00009503|-0.00022662|0.00017810|0.00055800|-0.00002352|-0.00121974|0.09908647|-0.00008521|0.00009911|0.00001999|0.00060313|0.00012599|-0.00015086|-0.00024688|0.00051891|-0.00020000|0.00064842|-0.00142465|0.00048786|-0.00219095|0.00103206|-0.00302680|0.00210451|0.00053857|0.00530462|0.00779173|-0.02043767|-0.01058380|-0.00062281|-0.00149521|0.00193008|-0.00099669|0.00065730|-0.00073790|0.00004666|0.00088777|0.00043401|0.00131712|0.00173010|0.00037718|0.07852728|-0.29514103|-0.09057943|-0.00001924|-0.00002341|0.00000134|0.00003444|0.00004850|0.00004509|0.00000773|-0.00000353|0.00000058|0.00010715|-0.00003008|0.00003288|0.00008831|0.00006762|-0.00001714|0.00002766|0.00000493|0.00003118|-0.00000638|-0.00010679|0.00044785|0.00133441|0.00080173|-0.00086911|0.00010829|-0.00026365|-0.00013982|0.00042298|-0.00044488|0.00008436|0.00018341|0.00031546|0.00015792|-0.00015287|0.00013592|0.00048110|0.00024438|-0.00022126|0.00098187|-0.08949887|0.31351174|-0.00002114|-0.00000322|-0.00000483|-0.00015587|-0.00012643|-0.00002138|-0.00001436|0.00024781|-0.00023249|0.00071439|-0.00018064|0.00026932|0.00137549|-0.00021206|0.00171046|-0.00107488|-0.00190620|-0.00259487|-0.00764437|0.01974026|0.01000306|-0.00012954|0.00151103|-0.00254029|-0.00133991|0.00295209|-0.00146139|-0.00076188|0.00152523|0.00219658|-0.00118646|0.00305767|0.00190680|0.03188482|-0.09091809|-0.09272477|0.00000346|0.00001428|0.00000309|0.00001325|0.00004100|0.00000470|-0.00000127|-0.00000953|-0.00000469|0.00000143|0.00002413|-0.00006594|0.00003359|0.00003232|-0.00001673|-0.00011494|-0.00004765|-0.00001035|0.00024589|0.00002438|-0.00040587|0.00048451|0.00025910|0.00011263|-0.00009609|0.00019802|0.00008567|-0.00050196|0.00044413|-0.00006869|-0.00023959|0.00024080|-0.00027530|0.00002869|-0.00004143|0.00012641|0.00030259|-0.00010244|0.00019946|-0.03271196|0.09723914|0.09488259|-0.00000945|-0.00005966|0.00003406|-0.00012324|0.00002011|-0.00023978|-0.00003462|0.00006317|0.00005969|-0.00017419|0.00005650|-0.00005244|0.00189347|0.00089284|0.00057709|-0.00137170|-0.00299488|-0.00181978|0.00575011|0.00360868|0.01482043|-0.00103894|-0.00050261|-0.00017352|-0.00019163|0.00021800|-0.00162814|-0.00660710|0.00127043|0.00000281|-0.01736835|-0.00648914|-0.03991765|-0.07160839|-0.00453650|-0.05944576|-0.00001114|0.00000721|-0.00001986|0.00001613|0.00002331|0.00001918|-0.00002930|0.00002031|-0.00001949|0.00011877|-0.00000059|-0.00010016|-0.00004900|0.00001081|-0.00000350|-0.00004637|0.00000834|-0.00001518|0.00002114|-0.00002291|-0.00009842|0.00000637|0.00015714|0.00002139|0.00050005|0.00002695|0.00006890|0.00002857|-0.00000492|0.00000039|-0.00003139|-0.00000306|-0.00001092|-0.00065948|0.00097583|-0.00137070|0.00010232|-0.00044629|0.00014885|0.00447702|0.00022229|0.01090610|0.08644035|-0.00002187|-0.00000722|0.00002731|0.00019737|0.00006851|-0.00009783|-0.00016959|0.00022541|0.00015080|-0.00047458|-0.00045828|-0.00029745|0.00012484|0.00228410|0.00147300|0.00023367|-0.00417102|-0.00391273|0.00586988|0.00421166|0.03190284|-0.00073214|-0.00245847|-0.00159721|-0.00065085|-0.00032402|-0.00017478|-0.00029805|0.00114267|-0.00000697|0.00077220|0.00215885|0.00148311|-0.00427732|-0.06210045|-0.02031208|-0.00002455|-0.00001332|-0.00001916|0.00002083|0.00000581|0.00003000|-0.00001269|0.00002739|-0.00000865|0.00000189|-0.00001324|-0.00000633|-0.00007642|0.00000263|-0.00000017|0.00000772|0.00001467|-0.00000347|0.00001327|-0.00009129|0.00019654|-0.00002299|0.00009258|-0.00020366|0.00055077|-0.00063797|0.00046667|-0.00015006|-0.00002116|-0.00002449|0.00009706|0.00026194|0.00008269|-0.00011863|0.00001991|0.00004543|-0.00005498|-0.00025551|0.00042182|-0.00828343|-0.00088354|-0.03400370|0.00747864|0.06091936|0.00000233|0.00007605|-0.00006823|0.00002122|-0.00012534|0.00022019|0.00003439|-0.00001552|-0.00001059|0.00027425|0.00015435|-0.00047026|0.00042558|-0.00228432|0.00009695|-0.00174247|0.00378280|0.00210994|-0.00168329|0.00038509|-0.01844591|0.00055443|0.00076142|-0.00033468|-0.00013562|0.00015273|-0.00044360|0.00030984|-0.00000069|0.00233079|-0.00300122|0.00019746|0.00375248|-0.07059556|-0.02622401|-0.32647010|0.00000737|0.00000220|0.00003040|0.00000448|0.00000511|-0.00000827|0.00003498|-0.00002743|0.00002650|-0.00009535|-0.00001917|0.00004410|0.00003312|-0.00001741|0.00001331|0.00006913|-0.00001393|0.00001395|-0.00000962|-0.00010349|0.00012393|0.00004076|-0.00013855|-0.00018974|-0.00014343|0.00037123|-0.00005959|-0.00010603|0.00025143|-0.00006979|-0.00006281|0.00014523|-0.00008472|-0.00011206|0.00021049|-0.00004656|0.00012837|-0.00016204|0.00041483|-0.00250916|-0.00175219|-0.01107317|0.07825638|0.02438848|0.34859785| 165.12660 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 73 74 75 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 16.8232 55.9320 107.6940 141.2286 194.5118 227.1329 269.6324 332.7634 355.7455 391.0247 422.1140 477.2912 513.1976 585.0424 709.9358 729.8105 762.0277 837.4282 871.4465 894.8613 903.7190 939.6720 971.9077 987.4597 1020.2947 1024.8357 1046.3400 1072.6551 1135.3109 1140.0484 1182.1144 1212.5480 1217.8304 1231.1115 1251.5001 1269.6400 1283.9511 1290.3439 1307.0394 1311.0879 1335.8055 1361.0327 1370.4526 1399.7892 1404.9637 1423.8415 1450.8993 1467.7894 1484.9217 1532.2701 1539.8989 1571.1849 1625.9556 1630.7506 1632.8427 1636.7650 1642.2822 1668.7754 1674.2596 1960.3987 3195.7920 3198.9869 3204.4847 3224.8573 3234.8792 3249.0338 3262.3895 3270.6405 3275.3961 3276.1207 3281.3647 3296.0398 3304.9877 3348.8185 3376.6926 3.4199 2.8458 2.7233 3.3608 2.3738 1.4988 1.7014 2.4251 2.7259 4.0904 2.0881 2.3404 3.0742 3.1614 3.6561 3.3206 4.1617 2.5447 1.9594 3.0469 2.2113 3.6384 1.5528 1.9420 1.4080 2.6406 1.9572 1.4750 2.0649 2.0022 1.5326 1.6204 1.5845 3.0662 1.3666 1.5722 1.6649 2.3050 2.2705 1.3532 1.8924 1.6760 1.5054 1.4556 1.8572 1.4021 1.7729 1.5711 1.6540 1.3110 1.7895 1.4669 1.1011 1.0512 1.0956 1.0933 1.0680 1.2607 1.1422 12.1136 1.0676 1.0522 1.0676 1.0664 1.0671 1.0652 1.1018 1.0986 1.1038 1.0994 1.0607 1.0972 1.1088 1.0937 1.1141 0.0006 0.0052 0.0186 0.0395 0.0529 0.0456 0.0729 0.1582 0.2033 0.3685 0.2192 0.3141 0.4770 0.6375 1.0857 1.0420 1.4239 1.0514 0.8767 1.4375 1.0641 1.8928 0.8642 1.1157 0.8636 1.6340 1.2625 0.9999 1.5681 1.5332 1.2618 1.4037 1.3846 2.7381 1.2611 1.4932 1.6170 2.2612 2.2854 1.3705 1.9896 1.8292 1.6658 1.6804 2.1599 1.6748 2.1990 1.9943 2.1488 1.8135 2.5002 2.1336 1.7150 1.6470 1.7210 1.7257 1.6971 2.0685 1.8863 27.4291 6.4244 6.3443 6.4589 6.5343 6.5795 6.6249 6.9091 6.9239 6.9773 6.9520 6.7287 7.0232 7.1355 7.2263 7.4844 0.3119 0.5558 2.2744 0.2950 1.7126 2.0898 1.6658 4.5001 2.4077 2.7128 1.4439 1.4344 2.7649 4.9592 4.4717 8.0606 5.7079 23.1997 7.4286 7.4783 1.9022 5.9847 1.0523 2.1543 2.5737 11.0155 4.9167 0.6304 13.2986 16.8549 10.9430 0.9391 2.6141 13.3236 4.1363 6.5380 1.7133 32.7614 44.9959 11.2666 8.4280 2.6575 20.5299 6.0962 13.5954 4.9246 4.7602 31.0894 12.0841 16.5902 4.1417 26.0147 3.1447 3.0974 0.1667 2.2638 3.1265 1.8595 6.0399 32.3986 9.8929 71.4869 24.6063 23.9611 23.2045 38.3140 42.0060 36.9082 34.7954 13.7707 21.5634 32.1872 52.9822 27.2521 43.2370 0.1450 0.8211 1.2886 0.0744 0.2986 0.8918 1.2022 1.8406 1.3054 4.7011 1.9468 2.1445 2.9194 2.4297 0.7975 2.8895 1.1195 10.1084 5.5861 8.7875 11.4571 6.1074 2.4743 6.8288 2.3141 14.1538 12.5705 3.1033 6.0796 3.8537 2.7178 1.0097 2.3993 3.9123 1.4520 7.8520 3.4392 8.3846 4.0405 4.5333 4.2172 3.1368 12.8750 2.6741 8.8361 2.5368 7.3001 1.8051 6.1114 3.5355 6.5571 1.5859 6.0673 20.3365 7.1678 15.7654 14.2813 4.9850 4.7043 95.6472 35.7744 35.0776 168.4896 89.7980 106.3934 94.6075 83.7755 70.3566 47.3441 61.0803 78.8112 60.0973 85.8676 142.8815 123.9946 0.5450 0.7111 0.7129 0.1240 0.7478 0.2847 0.2797 0.4607 0.6945 0.3213 0.3252 0.1361 0.7295 0.4224 0.7189 0.3346 0.7497 0.6196 0.3690 0.7286 0.0702 0.5619 0.7440 0.7486 0.6781 0.2357 0.3640 0.3276 0.3837 0.7230 0.6421 0.7500 0.4984 0.2106 0.7382 0.7441 0.7420 0.1347 0.4891 0.7376 0.7210 0.7255 0.7123 0.6116 0.1462 0.7233 0.6066 0.6242 0.7465 0.6984 0.3508 0.7497 0.6418 0.7490 0.7214 0.6760 0.7499 0.6961 0.7291 0.3294 0.2969 0.5504 0.0827 0.1640 0.1040 0.1726 0.7482 0.1926 0.7448 0.7080 0.1221 0.3128 0.6873 0.3511 0.3648 0.7055 0.8311 0.8324 0.2207 0.8557 0.4432 0.4372 0.6308 0.8197 0.4863 0.4908 0.2395 0.8436 0.5940 0.8364 0.5014 0.8569 0.7652 0.5391 0.8430 0.1312 0.7195 0.8532 0.8563 0.8082 0.3815 0.5338 0.4936 0.5546 0.8392 0.7821 0.8571 0.6652 0.3480 0.8494 0.8533 0.8519 0.2374 0.6569 0.8490 0.8379 0.8409 0.8320 0.7590 0.2551 0.8394 0.7552 0.7687 0.8548 0.8224 0.5194 0.8569 0.7818 0.8565 0.8382 0.8067 0.8571 0.8208 0.8433 0.4956 0.4578 0.7100 0.1527 0.2818 0.1884 0.2944 0.8560 0.3230 0.8537 0.8291 0.2176 0.4765 0.8147 0.5197 0.5345 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 27 6 6 6 6 7 7 6 6 6 6 7 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 720.00522 3667.38096 4017.17528 0.99997 0.00099 0.00718 -0.00115 0.99975 0.02220 -0.00716 -0.02220 0.99973 1 0.12030 0.02362 0.02156 2.50657 0.49211 0.44926 24.20 80.47 154.95 203.20 279.86 326.79 387.94 478.77 511.84 562.60 607.33 686.72 738.38 841.75 1021.44 1050.03 1096.39 1204.87 1253.82 1287.51 1300.25 1351.98 1398.36 1420.73 1467.98 1474.51 1505.45 1543.31 1633.46 1640.28 1700.80 1744.59 1752.19 1771.29 1800.63 1826.73 1847.32 1856.52 1880.54 1886.36 1921.93 1958.22 1971.78 2013.98 2021.43 2048.59 2087.52 2111.82 2136.47 2204.59 2215.57 2260.58 2339.39 2346.29 2349.30 2354.94 2362.88 2401.00 2408.89 2820.58 4598.03 4602.63 4610.54 4639.85 4654.27 4674.63 4693.85 4705.72 4712.56 4713.61 4721.15 4742.27 4755.14 4818.20 4858.31 0.254039 0.264559 0.265503 0.216027 -512.516435 -512.505915 -512.504971 -512.554448 1.659467D-04 MUNgauss RevisionA2.1 retrievium 03-Nov-2022 GDB_13 Smiles: CC1CCN1N=C1CC2CN2C1 RHF 6-31G(d) (6D,10F) C1 165.126598 |X|Y|Z| 44.960748 19.559458 13.352828 22.729394 11 6 7 8 3 |36.858105| |12.577681|36.858105| |7.195953|12.370376|36.858105| |5.548232|9.079443|12.401398|36.858105| |7.561620|12.992614|9.075560|12.940877|53.358707| |5.758529|7.943908|5.727639|7.679713|18.696614|53.358707| |4.307521|5.362646|4.494032|6.234841|11.444226|20.723903|36.858105| |3.412958|3.954262|3.372178|4.240584|7.022262|10.701921|12.554484|36.858105| |2.818233|3.213909|2.928899|3.702065|5.615003|7.246502|8.000307|12.566741|36.858105| |2.646838|3.106450|2.987484|3.897463|5.407431|6.488068|6.662090|7.468638|12.949548|36.858105| |2.903286|3.340084|3.169413|4.166122|6.081644|7.164809|7.944461|7.788157|13.072483|13.156678|53.358707| |3.666681|4.386494|4.119081|5.861052|9.001743|10.320623|12.518530|7.730054|8.036765|7.828958|17.787425|36.858105| |17.530085|8.839721|6.324681|4.618871|7.528069|6.128000|3.524200|2.919151|2.456698|2.336343|3.414924|3.060855|0.500000| |17.551408|8.868646|5.371956|4.712391|9.159543|8.149815|4.480602|3.672301|2.947262|2.680375|4.019167|3.665301|0.300895|0.500000| |17.559435|8.854746|6.659944|5.307752|9.407547|6.939184|4.075723|3.212515|2.740058|2.584204|3.951428|3.692760|0.299984|0.300935|0.500000| |8.861853|17.515094|8.758092|7.276881|12.320727|10.366667|5.116118|3.995852|3.173515|3.065204|4.316708|3.990403|0.212343|0.212600|0.173377|0.500000| |5.717504|8.467956|17.612690|8.484563|8.597006|6.374259|3.803173|3.006983|2.641863|2.732199|3.821119|3.483887|0.155787|0.124827|0.143120|0.215578|0.500000| |6.853945|8.656768|17.588205|8.681856|9.725131|6.437278|3.927000|3.011112|2.686081|2.729862|4.027620|3.804500|0.171127|0.139674|0.203602|0.173066|0.299331|0.500000| |4.593846|7.152707|8.661692|17.513091|12.150595|9.866380|6.130980|4.385287|3.828449|4.185801|5.675346|5.510176|0.111370|0.113580|0.117682|0.191745|0.213324|0.172597|0.500000| |4.577146|6.309631|8.454785|17.593492|11.962960|8.274508|5.672107|3.957638|3.682637|4.005154|6.005764|6.276097|0.107969|0.110486|0.130256|0.144079|0.178801|0.212883|0.298785|0.500000| |3.418121|3.744100|3.112135|3.717359|6.365153|9.224662|8.899095|17.543136|8.844853|5.499291|8.385804|6.180909|0.081137|0.105934|0.089725|0.104414|0.076988|0.078652|0.103219|0.096534|0.500000| |3.253770|3.822077|3.264479|4.009134|6.383366|9.530520|8.783558|17.590310|8.710866|6.528841|7.929857|5.766450|0.079064|0.096989|0.083061|0.112673|0.083102|0.079603|0.120625|0.101246|0.302184|0.500000| |2.510039|2.772934|2.532326|3.077753|4.649074|5.763672|5.717205|8.506060|17.710297|8.608144|12.005868|5.822205|0.061556|0.073545|0.068220|0.076241|0.064106|0.065491|0.087487|0.085457|0.214354|0.187371|0.500000| |2.308656|2.656895|2.601157|3.279834|4.451951|5.114178|4.850562|5.423006|8.583079|17.710755|12.123435|5.702890|0.057460|0.064729|0.063055|0.072935|0.067104|0.067012|0.097391|0.094963|0.121776|0.138882|0.207314|0.500000| |2.795281|3.400773|3.320409|4.469020|5.928466|7.110668|6.967986|7.035049|8.674914|17.643696|11.911109|7.386825|0.068751|0.077567|0.074715|0.094703|0.085199|0.082253|0.141400|0.124967|0.140524|0.189109|0.170808|0.292146|0.500000| |3.597388|4.463243|4.552677|7.022068|9.070513|9.009763|8.700181|5.766678|6.027996|7.000300|12.384736|17.617075|0.084581|0.096036|0.101264|0.111527|0.106916|0.116666|0.183521|0.234635|0.130507|0.133851|0.128628|0.150508|0.205769|0.500000| |3.801620|4.291954|3.991146|5.304154|8.581891|8.940114|8.909008|6.167389|6.249557|5.671351|12.426926|17.551648|0.087052|0.106076|0.110764|0.104720|0.092249|0.106928|0.129784|0.161317|0.156333|0.130512|0.141159|0.126880|0.145223|0.302785|0.500000| 512.402536 -2636.038580 963.114829 -72.051534 -1232.572749 719.802273 -512.770477 2.000718 4057FFFFFFFFFFF7 41947CEC1FFFFFFD 412D2371F49F49F0 41095E0000000000 C044000000000001 41B87207F8000001