Version2.5 2022-11-17T05:12:47Z 10.1021/ja902302h Gaussian16 RevisionB.01 SBUNGAY 11-Nov-2022 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) GDB_13 Smiles: CC1NC(=N)NN2C(C3CC3)C12 RHF 6-31G(d) (6D,7F) CC1NC(=N)NN2C(C3CC3)C12 C1[X(C8H14N4)] 72 C1 208 CC1NC(=N)NN2C(C3CC3)C12 N=C1NC(C)C2N(N1)C2C1CC1 CC1NC(=N)NN2C1C2C3CC3 InChIKey=IVIXRMXFSAXLPZ-UHFFFAOYSA-N InChI=1S/C8H14N4/c1-4-6-7(5-2-3-5)12(6)11-8(9)10-4/h4-7H,2-3H2,1H3,(H3,9,10,11) InChI=1/C8H14N4/c1-4-6-7(5-2-3-5)12(6)11-8(9)10-4/h4-7H,2-3H2,1H3,(H3,9,10,11)/f/h9-11H CC1NC(=N)NN2C(C3CC3)C12 C01[X(C8H14N4)] 72 C1 208 CC1NC(=N)NN2C(C3CC3)C12 N[C@@H]1N[C@H](C)[C@H]2[N@@](N1)[C@H]2C1CC1 C[C@H]1N[C@@H](N)NN2[C@H]1[C@@H]2C3CC3 InChIKey=PJXJDTWETYVIJI-VSJVMSSCSA-N InChI=1S/C8H16N4/c1-4-6-7(5-2-3-5)12(6)11-8(9)10-4/h4-8,10-11H,2-3,9H2,1H3/t4-,6-,7+,8-,12-/m1/s1 InChI=1/C8H16N4/c1-4-6-7(5-2-3-5)12(6)11-8(9)10-4/h4-8,10-11H,2-3,9H2,1H3/t4-,6-,7+,8-,12-/m1/s1 5.282401000615D+02 -2.735548708688D+03 750.6342739760 -528.7700475 1-A 1986.5594 45 163 208 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -15.59676 -15.58944 -15.58203 -15.50192 -11.33591 -11.28667 -11.26727 -11.26205 -11.23090 -11.23060 -11.22525 -11.22161 -1.36377 -1.26919 -1.19990 -1.14963 -1.12047 -1.03364 -0.91590 -0.90801 -0.84906 -0.82465 -0.79737 -0.75758 -0.72338 -0.70255 -0.66098 -0.65182 -0.64222 -0.61836 -0.61302 -0.58861 -0.56413 -0.55119 -0.54451 -0.51940 -0.51690 -0.49533 -0.48154 -0.43714 -0.42495 -0.41447 -0.38061 -0.37403 -0.32529 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.20332 0.22478 0.23949 0.24577 0.25483 0.27405 0.27615 0.28975 0.29757 0.30686 0.30757 0.31263 0.32119 0.34508 0.34788 0.36921 0.37729 0.38078 0.40179 0.40490 0.41313 0.43774 0.45127 0.48351 0.49596 0.52577 0.55502 0.59714 0.67007 0.68333 0.69623 0.73598 0.73713 0.74990 0.77267 0.79311 0.81720 0.83553 0.84300 0.85130 0.86525 0.87463 0.88652 0.88830 0.91155 0.92740 0.93815 0.95026 0.98661 0.99644 0.99969 1.01738 1.03296 1.04648 1.06689 1.09784 1.10747 1.11564 1.13048 1.13621 1.14640 1.15737 1.16005 1.17054 1.18060 1.19260 1.20505 1.21126 1.21759 1.23056 1.23955 1.24650 1.25756 1.27317 1.28367 1.30241 1.32841 1.38795 1.41433 1.43847 1.46049 1.50115 1.57010 1.58293 1.59897 1.63824 1.66811 1.67588 1.74355 1.78092 1.79995 1.81872 1.90825 1.93944 1.94689 1.97368 2.01063 2.03121 2.03256 2.06012 2.07395 2.11515 2.13408 2.13961 2.16512 2.18145 2.20584 2.21142 2.24097 2.25576 2.28993 2.30263 2.34062 2.36237 2.38002 2.40310 2.44885 2.48227 2.50347 2.52927 2.55770 2.59178 2.59973 2.63853 2.64142 2.66974 2.67989 2.72157 2.74845 2.76622 2.79937 2.83244 2.84382 2.85803 2.90867 2.91849 2.93490 2.96156 2.96339 2.99732 3.05574 3.07530 3.11889 3.15406 3.18397 3.19427 3.24424 3.27610 3.32966 3.47919 3.58176 4.30991 4.40908 4.47213 4.60657 4.62150 4.69276 4.75050 4.77119 4.86475 4.93018 4.98001 5.08725
14.38409
0.8157 4.2628 -0.3426 4.3536 |XX|YY|ZZ|XY|XZ|YZ| -73.2371 -75.9173 -71.0728 -8.8224 2.2030 -1.4941
|XX|YY|ZZ|XY|XZ|YZ| 0.1720 -2.5083 2.3363 -8.8224 2.2030 -1.4941
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| -3.8464 11.7244 -11.2850 11.2409 23.3907 -4.7738 -6.4152 3.8411 10.9755 8.5233
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY| -1498.4524 -830.1900 -409.5290 -56.8257 55.3646 -42.9557 -26.0218 16.9299 8.8221 -418.5391 -268.2671 -194.9823 -18.6067 -18.7832 -0.7421
0 |0.63725856|-0.03567169|0.62189040|-0.02527298|-0.04416987|0.61630351|-0.13374963|-0.03574870|-0.04897264|0.62786489|-0.03723117|-0.13377181|-0.05615613|-0.03962988|0.59866564|-0.04274761|-0.04177258|-0.15423672|0.00939710|0.00560684|0.61548000|-0.00295783|-0.01988731|0.01041538|-0.07827514|-0.04045708|0.04096025|0.37645111|-0.01198385|-0.03548768|0.01978081|0.00029108|-0.21274737|0.04229908|0.11652684|0.65657881|-0.00454603|-0.02348942|0.01668828|0.02993895|0.05379595|-0.15701808|-0.28017214|0.12555322|0.68986780|-0.00134100|-0.00363090|0.00300235|-0.01675092|-0.00585566|-0.01035109|-0.11512849|-0.08873382|0.00098491|0.68346275|0.00033755|-0.00072704|0.00032572|-0.02692564|-0.03545913|-0.00499223|-0.04009098|-0.23763178|-0.07406634|0.33894209|0.73599214|0.00214644|0.00563362|-0.00613166|-0.01082284|0.00388156|0.03363669|0.02159393|-0.08563463|-0.19998690|-0.25453201|0.06872110|0.67910183|0.00036859|-0.00080062|0.00091860|0.00458142|0.00225000|-0.00487829|-0.00884299|-0.04289781|0.00457635|-0.38140197|-0.27790105|0.10038214|0.55127806|-0.00032613|-0.00244308|0.00253185|0.00080399|0.00761755|-0.00978086|-0.06462734|-0.04337850|-0.00993953|-0.22966773|-0.32924755|0.04921421|0.27446718|0.42048480|-0.00052547|-0.00151753|0.00170318|0.00089401|-0.00003476|-0.00696193|-0.01328236|-0.02985100|0.02985866|0.14588794|0.10325369|-0.17137969|-0.33861807|0.02859762|0.53982135|-0.00008940|0.00035501|-0.00019329|-0.00212761|-0.00237836|0.00314818|0.02071960|0.00197444|-0.01089904|-0.14417720|-0.00908800|0.08554857|-0.04948994|-0.01381473|0.05888252|0.46471492|-0.00130705|-0.00009616|0.00150966|0.00687407|0.00747498|0.00247017|0.01847998|-0.01187304|-0.04939326|-0.03422759|-0.14016070|-0.03999856|-0.01157044|0.02286062|0.02857275|0.33455109|0.55381321|-0.00080617|-0.00046074|0.00112746|0.00695213|0.00447417|-0.00351761|0.01106298|-0.02462288|-0.03409247|0.12018972|-0.08014640|-0.26473220|0.04582976|0.01480939|-0.02479879|-0.09695297|0.19916324|0.73519860|-0.00254633|0.00008894|0.00228743|0.00987695|0.02300785|0.00855115|0.00165597|-0.00023349|-0.00512060|-0.01805145|-0.01895148|0.00717313|-0.00180067|0.00134830|0.00423057|-0.12928915|-0.08694722|0.08654848|0.43928836|0.00280111|0.00016546|-0.00039970|-0.00617279|-0.01142613|-0.01202661|-0.00000457|-0.00017204|0.00210686|0.01257795|0.00277463|0.00169495|-0.00143005|-0.00196219|0.00056358|-0.11900008|-0.20142354|0.08753642|0.20400343|0.54132397|0.00766357|-0.00056339|-0.00635554|-0.02576933|-0.03136244|-0.01746861|-0.00198321|0.00271370|0.00783267|0.00532988|0.03155117|-0.02105718|0.00082320|-0.00130670|-0.00134836|0.06064811|0.03617574|-0.14019919|-0.02796281|0.00532826|0.33995149|0.00167548|-0.00091529|-0.00108890|-0.01235882|0.00141133|-0.00398175|-0.00080186|-0.00059610|-0.00077868|-0.00510081|0.00230210|0.00300449|0.00158089|0.00092182|-0.00148170|-0.01705038|-0.01736895|-0.00550302|-0.19774049|-0.07707104|-0.05650995|0.72802675|-0.00049165|-0.00035066|0.00045608|0.00332449|-0.00506329|-0.00592250|-0.00155614|-0.00101381|0.00028240|-0.00419414|0.00400533|0.00504316|0.00158341|0.00008079|-0.00141397|-0.02932442|-0.00918983|-0.02161623|-0.01789524|-0.07774208|0.02619902|-0.08483687|0.42047947|-0.00111997|0.00051534|0.00323239|0.03133846|-0.00884507|0.01352811|-0.00223300|-0.00029425|0.00042880|0.00560254|0.00482713|0.00496736|0.00193932|0.00012586|-0.00266787|0.03172571|-0.00796025|-0.00504857|-0.09379095|0.01415294|-0.09551583|-0.05778333|-0.15638081|0.62713231|0.00018586|-0.00006229|0.00093150|0.00143283|0.00126812|-0.00021580|-0.00201455|0.00031725|0.00095045|0.00044747|0.00029635|-0.00119024|-0.00044465|-0.00058825|0.00045811|0.00358125|0.00192199|-0.00121829|-0.02101175|0.01647423|-0.02409191|-0.12176402|0.03106617|-0.03932168|0.71030475|-0.00040887|-0.00036567|-0.00022706|-0.00171524|0.00187462|-0.00119902|0.00357279|-0.00004137|-0.00006821|0.00015852|-0.00128578|-0.00134990|-0.00016407|0.00011688|0.00038946|0.00362098|0.00053226|0.00318507|-0.01014157|0.01559995|-0.02580535|0.03408777|-0.12510582|0.08027100|-0.07067135|0.38427933|0.00079288|0.00007449|-0.00015719|-0.00122356|-0.00145786|0.00122489|-0.00293859|0.00080364|-0.00117044|0.00130743|0.00027003|0.00260104|0.00013661|-0.00004831|-0.00049359|0.00132300|0.00134206|0.00014030|-0.01185409|0.00394715|-0.01196646|-0.03535872|0.07364755|-0.20634385|-0.09572597|-0.13833723|0.65513197|-0.00060342|0.00021253|-0.00050295|-0.00053844|-0.00027849|0.00003408|0.00010195|0.00067478|0.00033656|-0.00006339|-0.00059065|-0.00028284|0.00018896|0.00042199|-0.00006361|0.00005312|0.00033356|0.00027097|0.00285169|0.00211283|0.00124625|-0.01537511|-0.00441289|-0.00803924|-0.23114558|-0.02406894|-0.02798494|0.49132441|-0.00021414|0.00017203|-0.00032129|0.00009814|-0.00055448|-0.00008738|-0.00022566|0.00028640|0.00006279|0.00115686|-0.00019813|-0.00051232|-0.00039362|-0.00015376|0.00014574|-0.00157077|0.00066734|-0.00083481|0.00082244|-0.00279933|0.00297824|0.01620855|0.00848466|0.00613043|-0.07069718|-0.03981430|0.01079283|0.21796809|0.51810710|-0.00021886|-0.00003138|-0.00001789|0.00007023|0.00053202|-0.00044555|0.00078754|-0.00028201|0.00021660|0.00008152|-0.00038322|-0.00157348|-0.00043753|-0.00021959|0.00050760|0.00153038|0.00036015|0.00181938|-0.00282474|0.00460001|-0.00686917|-0.02139059|-0.02215433|-0.00842091|-0.04818313|0.01927105|-0.08860130|0.05790284|-0.06531593|0.73068584|0.00014160|-0.00010986|0.00007223|-0.00007387|0.00012204|0.00047199|-0.00049128|-0.00015941|-0.00021031|-0.00133983|0.00059252|0.00140031|0.00062932|0.00023751|-0.00040362|0.00096824|-0.00109249|-0.00019659|0.00074125|0.00024914|0.00179719|-0.01213660|0.01482385|-0.00129628|-0.14175483|0.08162723|0.03088748|-0.03670473|-0.03053834|-0.00500694|0.31019721|-0.00013101|0.00016620|-0.00016861|-0.00032424|-0.00031951|0.00044958|-0.00038811|0.00044149|-0.00002914|0.00028723|-0.00028787|-0.00031568|0.00005828|0.00015266|0.00003321|-0.00020958|0.00089119|0.00025132|-0.00015930|0.00271037|0.00003769|0.00767177|-0.01885356|-0.00587363|0.13163381|-0.14009869|-0.00441133|-0.08056738|-0.21815174|-0.06706174|-0.08100239|0.71793376|-0.00057220|-0.00000396|-0.00018446|0.00001298|0.00034648|-0.00075751|0.00142078|0.00004972|0.00082393|-0.00032598|-0.00091326|-0.00079311|0.00007055|0.00037722|0.00005402|-0.00079403|-0.00000783|-0.00030714|0.00207085|-0.00193176|0.00273256|-0.01175273|0.02826984|0.01235105|0.05133317|-0.01291202|-0.08916119|-0.02586210|-0.05801520|-0.11990913|-0.09744970|-0.03012029|0.72641148|0.01519021|-0.00142951|-0.01444698|-0.13864066|0.01677167|0.06366288|-0.00602951|-0.00283511|0.00941474|0.00068638|0.00033770|0.00531961|0.00152751|0.00074438|-0.00143054|0.00028983|-0.02311379|-0.02586328|-0.05177260|-0.00907807|0.03832540|-0.18536326|0.11216385|0.02089907|-0.00752286|0.00531034|-0.00082866|-0.00165304|0.00013193|0.00014407|0.00147156|-0.00219462|-0.00006866|0.46242300|0.01608524|-0.00588728|-0.02317460|0.02434613|-0.10734181|-0.02367148|-0.02253401|0.00914109|0.03633606|-0.00233686|0.00469307|0.00164715|0.00174003|-0.00051607|-0.00195687|-0.00555746|-0.02935126|-0.01520516|-0.07012633|-0.22045606|-0.06029341|0.15819465|-0.12018657|0.01646830|0.00267654|-0.01413253|-0.00605284|-0.00011926|0.00164058|-0.00057970|-0.00098600|-0.00124437|0.00316146|-0.12095337|0.71049397|0.00992161|-0.01107074|-0.02041207|0.07648140|-0.01352559|-0.19313999|0.01237721|-0.00080977|-0.02397743|-0.00215551|0.00402720|0.00810377|0.00186393|0.00010837|-0.00215654|-0.00819862|0.02911043|-0.00568538|0.02485536|-0.10830979|-0.10557521|0.02354160|0.01632955|-0.08263768|-0.01272940|0.02528419|0.01505467|0.00056848|-0.00085047|0.00203616|-0.00121599|0.00230396|-0.00520727|-0.12647801|-0.07464425|0.61716013|-0.15453999|0.03819024|0.12820562|0.01271441|-0.00558420|-0.01808847|0.00084153|0.00160363|-0.00016762|0.00007246|0.00012952|-0.00025467|0.00007409|0.00018040|0.00005813|0.00024427|0.00032139|0.00000027|0.00096539|-0.00048342|-0.00121161|-0.00003806|-0.00043374|-0.00010616|-0.00017777|-0.00010229|-0.00012501|0.00029853|0.00012704|0.00015433|-0.00005326|0.00011715|0.00014061|-0.00247936|-0.00294951|-0.00127181|0.16218353|0.03733161|-0.07424832|-0.05058754|0.01549176|-0.00590683|-0.01879180|0.00125036|0.00202198|0.00061951|0.00019326|-0.00052550|-0.00061875|-0.00011573|0.00019704|0.00023993|0.00002680|0.00072077|0.00044700|0.00038466|-0.00053171|-0.00210381|-0.00034106|0.00046436|0.00065970|0.00015497|0.00005837|-0.00010674|-0.00013705|-0.00004275|0.00004326|-0.00003135|-0.00006666|-0.00003567|-0.00334203|-0.00309750|-0.00140658|-0.03943400|0.07439064|0.12587515|-0.05155298|-0.23266727|0.01624116|-0.00367728|-0.01889608|0.00004824|0.00170615|0.00163570|0.00022643|-0.00040095|-0.00067302|-0.00037296|-0.00007365|0.00022218|-0.00019819|0.00054018|0.00068835|0.00058075|-0.00023129|-0.00197277|-0.00022750|0.00049604|0.00054367|0.00008785|0.00001188|-0.00026136|0.00003854|0.00007083|0.00008667|-0.00007022|-0.00005323|0.00011610|-0.00405158|-0.00406571|-0.00085882|-0.14037826|0.05904463|0.25145686|-0.07656952|-0.05824704|0.03035228|-0.00385006|-0.01398429|0.01201202|-0.00096407|-0.00397229|-0.00371327|-0.00010801|0.00022805|0.00148177|-0.00035388|-0.00056809|-0.00041379|0.00006530|-0.00017324|-0.00024269|-0.00005364|-0.00000855|0.00003411|-0.00010819|0.00006289|-0.00024508|-0.00004009|0.00016251|-0.00005636|0.00011904|0.00000444|-0.00006047|0.00001838|0.00001551|0.00013829|0.00044995|0.00050673|0.00052031|-0.00532914|-0.01932880|0.00952559|0.07475106|-0.05932262|-0.26582330|0.11257884|-0.00146921|-0.01659421|0.01400314|-0.00303336|-0.00472178|-0.00522621|-0.00102632|0.00163967|0.00244251|-0.00032917|-0.00117598|-0.00056980|0.00021150|-0.00013893|-0.00041762|0.00034874|0.00034196|0.00003947|0.00018417|-0.00042428|-0.00016175|-0.00003646|-0.00008481|0.00019548|-0.00008374|0.00001708|0.00006215|-0.00003925|0.00003991|-0.00017160|-0.00005203|0.00020613|0.00133296|0.00197200|0.01029758|-0.00391720|0.06675701|0.28722828|0.03168430|0.11592049|-0.12371943|-0.00422912|-0.02035791|0.01427673|-0.00204155|-0.00471144|-0.00351982|-0.00093682|-0.00053601|0.00170264|-0.00021583|-0.00055452|-0.00044009|0.00006755|-0.00003096|-0.00009273|0.00000386|0.00030006|0.00054055|0.00009745|-0.00016764|-0.00020400|-0.00007012|0.00008168|0.00002489|0.00008494|0.00000150|-0.00004621|0.00001921|0.00003742|0.00005235|0.00039659|0.00003987|0.00080876|0.00616378|0.02605188|-0.01324999|-0.03443615|-0.12537848|0.12922114|-0.26492299|0.10820070|-0.07968245|-0.01621427|0.00973491|-0.00656220|0.00188398|0.00056444|0.00192565|0.00005470|-0.00038778|-0.00013988|0.00003311|0.00013456|0.00000878|0.00003578|0.00004145|0.00007914|0.00013251|0.00016500|0.00021674|0.00036796|-0.00000253|-0.00052768|-0.00003097|0.00063176|-0.00001347|0.00013750|0.00004648|0.00006191|0.00012170|0.00006153|0.00031988|0.00055150|-0.00006931|0.00115061|-0.01638498|0.00867091|-0.00683294|0.01154668|-0.00418968|0.00355904|0.28400157|0.11186623|-0.11814808|0.04426542|-0.02256389|0.01131881|-0.00888627|0.00132240|0.00249661|0.00097314|-0.00003471|-0.00035998|-0.00048919|0.00016937|0.00027642|0.00007356|0.00002840|0.00004322|0.00006413|0.00000550|0.00009671|0.00033631|0.00005276|0.00005044|-0.00021699|0.00033338|-0.00058302|-0.00047901|0.00017187|-0.00021775|-0.00011196|0.00007246|-0.00006128|0.00017251|-0.00007207|0.00098170|0.00118534|0.00529369|-0.00359109|0.00240692|0.02724847|-0.01232342|0.00867787|-0.12043081|0.12322871|-0.07778484|0.04113156|-0.09027881|-0.02144570|0.01305042|-0.00934133|0.00205273|0.00018282|0.00142698|-0.00002424|0.00030278|0.00038086|0.00002784|0.00000385|-0.00011647|0.00022629|-0.00008546|-0.00005278|0.00034544|0.00028806|0.00047417|0.00043155|-0.00065695|-0.00061479|-0.00033413|-0.00054646|-0.00023976|0.00061256|0.00014702|0.00028215|-0.00005679|0.00019156|0.00014530|-0.00136229|0.00169831|0.00087252|0.02561894|-0.01398575|0.01259392|-0.01496767|0.00671927|-0.00572720|0.08917004|-0.04424255|0.09290610|-0.01640046|0.00884492|-0.00621834|-0.25036044|0.09883957|-0.06514773|0.01651820|-0.01045556|0.00456080|0.00170322|0.00146960|0.00148069|-0.00030752|0.00075557|-0.00014511|0.00038766|-0.00016342|-0.00007990|0.00031996|0.00099143|0.00024319|-0.00001585|-0.00244488|0.00379527|0.00013813|-0.00042937|-0.00000606|0.00019124|-0.00001669|-0.00007641|0.00011144|0.00016175|-0.00002210|-0.01981931|0.01158997|-0.00501479|0.00135607|-0.00011045|-0.00031555|-0.00004734|-0.00036859|0.00053468|-0.00062797|-0.00317259|-0.00263473|0.26615547|-0.02109482|0.01228221|-0.00834031|0.09974813|-0.11337704|0.03072815|0.01872277|-0.03591818|0.01764674|0.00548041|0.00566153|0.00659204|-0.00278196|-0.00164958|-0.00109656|-0.00022929|-0.00095223|-0.00124759|-0.00045820|0.00054769|0.00084036|0.00034050|0.00149693|-0.00211679|-0.00030474|0.00006748|0.00029779|0.00011206|0.00012079|0.00000108|-0.00005828|0.00009666|-0.00002591|0.00959598|-0.00417589|0.00236517|0.00094505|0.00077987|0.00082573|0.00077846|0.00096058|0.00102184|-0.00299697|-0.00259043|-0.00380787|-0.10709831|0.13545777|-0.02346176|0.01050213|-0.00700547|-0.06697010|0.03065655|-0.08739655|-0.00948861|0.02287664|-0.00511886|-0.00158708|-0.00444594|-0.00392635|0.00118182|0.00155627|0.00057185|-0.00081347|0.00051844|0.00059486|-0.00103381|0.00066946|0.00142565|0.00203144|0.00178454|-0.00496568|-0.00014730|0.00017633|-0.00043414|-0.00004247|0.00010034|0.00012016|-0.00015309|-0.00021477|0.00026853|0.03255250|-0.01709378|0.00745285|0.00084444|0.00106331|0.00054743|0.00044822|-0.00032323|0.00091390|-0.00263616|-0.00367325|-0.00278811|0.06932368|-0.04236582|0.09806936|-0.00038806|0.00037224|0.00042828|-0.00487040|0.00708849|0.00366369|-0.19261427|0.03346519|0.24796897|0.00807527|-0.00650534|-0.02095591|-0.00043946|0.00228952|-0.00167948|0.00025669|-0.00304308|-0.00019110|-0.00012162|0.00014437|-0.00027152|0.00034647|-0.00011363|-0.00048197|-0.00029584|0.00016791|-0.00003725|-0.00006004|-0.00005110|0.00004106|0.00002446|0.00000046|-0.00006401|0.00045426|-0.00298348|0.00010769|0.00019592|-0.00086633|-0.00052369|0.00027285|0.00021559|-0.00053930|-0.00052310|-0.00016746|0.00005799|0.00073091|-0.00052304|-0.00062062|0.18885186|-0.00041971|0.00180737|0.00129240|-0.02302635|0.01051785|0.03064569|0.02752165|-0.09146814|-0.07581963|0.03078141|0.00042811|-0.02878742|0.00018166|-0.00033252|0.00269320|-0.00620573|-0.00603423|-0.00399069|0.00054149|0.00001384|0.00046446|-0.00024223|-0.00050236|0.00008724|0.00017674|0.00005162|0.00013659|0.00003029|-0.00002150|-0.00003382|0.00002459|0.00006394|-0.00005646|-0.00093343|-0.00765935|0.00244457|0.00009404|-0.00091397|-0.00109856|0.00052589|-0.00000885|-0.00031132|0.00018546|-0.00001541|-0.00019441|0.00086565|0.00065994|0.00018466|-0.02753817|0.09329805|-0.00076655|0.00001444|0.00150990|0.01143105|-0.00370541|-0.01321226|0.20556307|-0.06613988|-0.31449477|0.01818687|-0.00557511|-0.02354335|-0.00181450|0.00611670|0.00195993|-0.00269603|-0.00288978|0.00166490|-0.00054070|-0.00002108|0.00034638|0.00021431|0.00013634|-0.00021893|-0.00019910|0.00013697|-0.00012863|-0.00001936|-0.00003313|0.00005551|0.00000673|-0.00003882|0.00003869|-0.00081152|0.00352036|0.00012273|0.00042811|-0.00004815|0.00033582|-0.00014992|0.00008489|-0.00022905|-0.00027959|-0.00004954|-0.00004406|-0.00095538|-0.00096717|0.00029724|-0.22864605|0.07214620|0.34379336|0.00005225|0.00026730|-0.00032874|0.00000650|-0.00027774|0.00089183|-0.00137439|0.00683503|-0.00521184|-0.02198571|0.01152306|0.03939551|-0.11508892|0.02734588|0.14825751|0.00122339|-0.01039037|0.00114039|0.00097702|-0.00080555|0.00265686|0.00055661|0.00049930|-0.00003522|-0.00005458|-0.00009517|-0.00003477|-0.00000646|0.00002848|-0.00004253|0.00000292|-0.00002235|-0.00001445|0.00001898|0.00052540|0.00033452|-0.00000633|-0.00005794|-0.00000491|0.00011389|0.00012907|0.00006780|-0.00000250|-0.00002237|0.00003544|0.00001681|0.00037319|-0.00013085|0.00001240|-0.00265392|-0.00045433|0.13585869|0.00001754|0.00028652|-0.00024585|0.00040006|-0.00103039|0.00068807|0.00458800|-0.00050313|0.00361340|-0.02597492|-0.00114206|0.03488844|0.06392496|-0.06865951|-0.13357582|-0.00508745|0.00239361|-0.00198727|-0.00173065|0.00144808|-0.00084182|-0.00040148|-0.00006770|0.00040470|0.00012945|-0.00002631|0.00006280|-0.00005277|0.00002763|0.00001481|-0.00003745|-0.00001213|-0.00003684|0.00012259|0.00043043|0.00000360|-0.00002904|-0.00005930|-0.00002455|0.00007739|0.00016123|0.00005122|0.00000964|-0.00002133|0.00000207|-0.00006600|0.00000889|-0.00004837|-0.00148624|-0.00109802|-0.00149096|-0.03442453|0.06959032|-0.00009863|-0.00006078|0.00004572|-0.00010932|0.00124152|-0.00014598|-0.00653008|0.00024029|-0.00079023|-0.00192144|-0.01683406|-0.01631241|0.18927552|-0.08358591|-0.36767623|0.00427594|0.00141638|0.00232400|0.00196213|-0.00205628|0.00195606|0.00022961|0.00007574|-0.00081330|0.00001021|0.00003608|-0.00014424|0.00001858|0.00003051|0.00005085|-0.00004571|-0.00000226|0.00003381|-0.00039026|-0.00030954|0.00030870|0.00001311|0.00003620|0.00005756|0.00001643|-0.00004985|-0.00001750|-0.00000068|-0.00000287|-0.00000626|0.00004716|0.00011041|0.00002930|0.00057157|0.00058019|0.00205306|-0.18669151|0.09787482|0.37778724|-0.00009587|0.00008414|0.00007410|0.00062111|-0.00045607|-0.00019394|-0.00305601|-0.00176200|0.00516370|0.01126978|0.02365516|0.02358170|-0.00008966|0.00171541|-0.00225219|-0.14526362|-0.17107367|-0.14381454|-0.01313391|-0.01032336|-0.00624510|-0.00257016|-0.00449840|-0.00013128|0.00026854|-0.00033905|0.00025878|0.00017135|0.00003807|-0.00003486|-0.00005716|0.00037160|-0.00000827|-0.00156417|0.00265069|0.00051770|0.00001419|-0.00002755|0.00001176|0.00000828|0.00001395|-0.00001240|-0.00001400|-0.00001379|0.00000097|-0.00003422|0.00016542|-0.00006951|0.00096299|0.00110864|0.00111207|-0.00028553|-0.00014942|-0.00074577|0.15343396|0.00006990|0.00004438|-0.00008831|-0.00019729|-0.00011566|0.00079427|0.00025065|0.00320449|-0.00005760|0.00487683|-0.00716522|-0.01788245|-0.00461159|-0.00185918|0.00408091|-0.14427318|-0.18630279|-0.16211179|-0.01341719|-0.02042123|-0.01384594|0.00164267|-0.00156363|0.00135516|-0.00011518|0.00075699|0.00054091|-0.00007686|0.00003166|0.00003741|-0.00006882|-0.00005229|-0.00018106|-0.00355927|-0.00329178|0.00129389|0.00001198|-0.00001583|-0.00005355|0.00002624|0.00008674|0.00003906|0.00000818|-0.00000038|0.00004898|0.00022207|-0.00008577|-0.00019241|-0.00082468|0.00036966|-0.00071595|0.00126790|-0.00166408|0.00100969|0.15895379|0.21851496|-0.00012817|-0.00015811|0.00016806|0.00020266|0.00056454|-0.00093931|0.00518760|-0.00033274|-0.00431633|-0.02639230|-0.02139973|-0.01635751|-0.00028589|0.00141165|0.00196607|-0.12289070|-0.19708854|-0.26949764|0.01630590|0.02526103|0.01799605|0.00096056|0.00267268|-0.00045364|0.00016175|-0.00030517|-0.00048950|-0.00009477|0.00010223|0.00011953|-0.00015165|-0.00009822|0.00021832|0.00324930|0.00304540|-0.00132312|-0.00001709|0.00007830|0.00012970|-0.00004412|-0.00008425|-0.00004093|0.00000381|0.00000365|-0.00004164|-0.00018057|-0.00001605|0.00016386|-0.00000069|-0.00178020|-0.00023660|0.00042280|0.00082363|0.00106551|0.12290343|0.18658092|0.27128702|-0.00012109|-0.00019477|-0.00009440|-0.00136254|-0.00035991|-0.00240282|0.00019246|-0.00003787|0.00043104|-0.00026132|-0.00091917|-0.00177548|-0.00090136|-0.00041688|0.00087785|-0.00383247|0.00258118|0.00282564|-0.02172076|-0.00840588|0.01054808|-0.17824850|-0.03368075|0.14307744|0.01048854|0.00393375|-0.01232852|0.00121751|0.00000974|-0.00040126|0.00083034|-0.00013077|-0.00033005|-0.01097160|-0.00253859|0.00907965|0.00003151|0.00005933|0.00009967|0.00000912|0.00002775|-0.00001995|0.00009174|0.00002763|0.00008053|-0.00031987|0.00025368|0.00059964|-0.00007625|-0.00002452|-0.00002969|-0.00001053|-0.00002792|0.00015161|-0.00025995|0.00014976|0.00020385|0.20530659|0.00004329|0.00046322|0.00035813|0.00449475|-0.00076954|0.00405288|0.00007159|0.00058376|0.00000912|-0.00006415|-0.00154017|-0.00218458|-0.00060353|0.00014534|0.00072515|-0.00611729|-0.00022950|0.00073633|-0.00951025|-0.00371694|0.01878269|-0.03106833|-0.06699747|0.04491019|-0.01101361|-0.00175329|0.01322653|-0.00031904|0.00065082|-0.00024063|-0.00161723|0.00044859|0.00052204|0.01856799|0.00704121|-0.02819126|-0.00001209|-0.00009237|-0.00009843|-0.00000643|-0.00006794|0.00001271|-0.00014792|-0.00001699|-0.00003575|0.00119814|-0.00054686|-0.00155771|0.00004918|0.00018929|-0.00000860|0.00003193|-0.00013134|0.00022499|-0.00057047|-0.00011692|0.00036965|0.03670814|0.06715388|0.00000410|0.00022079|0.00008725|0.00085783|-0.00057276|0.00099812|0.00023632|0.00007566|0.00054128|-0.00096778|-0.00114587|-0.00101055|-0.00020640|0.00011242|0.00049629|-0.00375260|0.00037350|0.00152031|-0.01136560|-0.00594686|0.01699826|0.14736960|0.04893998|-0.23213925|0.01909318|0.00506663|-0.02033132|0.00166946|-0.00042699|0.00010660|0.00111394|-0.00044707|0.00082634|0.00096418|0.00382385|-0.00708842|-0.00001264|-0.00007074|-0.00001897|0.00003499|-0.00012416|0.00001701|0.00002342|0.00009835|0.00003134|0.00040218|-0.00014333|-0.00054558|0.00001255|0.00001255|0.00003600|-0.00004372|-0.00007377|0.00011629|-0.00015101|-0.00015260|0.00015614|-0.14858351|-0.05260510|0.23890480|0.00032253|-0.00009532|0.00029528|0.00014746|0.00086976|-0.00049769|-0.00329101|0.00035475|0.00065196|-0.00223856|-0.00031978|-0.00185053|-0.00000666|-0.00010307|0.00040809|-0.00162694|0.00026695|0.00041240|0.00104779|-0.00094006|0.00048440|0.01474844|0.00258603|-0.01398006|-0.17430243|-0.03499327|0.15160290|-0.01491695|-0.00293918|0.02023031|-0.00837973|-0.00247220|0.00544993|0.00089220|0.00016870|0.00085781|-0.00009969|0.00006516|-0.00000640|-0.00008431|-0.00003672|-0.00006509|-0.00010649|0.00002352|-0.00007683|-0.00010876|-0.00020008|0.00020866|-0.00034594|0.00007524|0.00005956|-0.00009468|0.00001312|-0.00002395|-0.00003798|-0.00005690|0.00007256|-0.00133892|0.00177650|-0.00363075|0.19125823|0.00054566|-0.00013461|0.00005400|0.00100029|-0.00075649|0.00085595|-0.00093644|-0.00066079|-0.00115905|-0.00026766|0.00240538|0.00135124|0.00008214|-0.00074116|-0.00018436|0.00058905|-0.00056177|-0.00094643|0.00000793|0.00043758|0.00015104|-0.01294075|-0.00300922|0.01227834|-0.03450884|-0.06420725|0.05771109|-0.00895894|-0.00665147|0.01759248|0.01840660|0.00798557|-0.02805171|-0.00076234|0.00037035|-0.00031740|-0.00012806|0.00004366|-0.00005716|-0.00016413|0.00020572|-0.00007227|-0.00029368|-0.00061797|-0.00020463|-0.00003363|0.00000044|-0.00015483|0.00015565|0.00000492|-0.00008567|0.00002681|0.00008800|-0.00006052|-0.00007111|0.00005338|-0.00012792|0.00188007|-0.00104877|0.00282338|0.03488994|0.06563308|-0.00018225|-0.00005343|-0.00004351|-0.00063186|0.00087429|-0.00073300|0.00303631|-0.00094706|-0.00006862|-0.00211870|-0.00046272|-0.00010566|0.00019862|0.00032877|-0.00005123|0.00031605|-0.00060950|0.00109855|0.00064158|-0.00054112|-0.00041524|0.01727681|0.00368628|-0.01751123|0.15067009|0.05776347|-0.26069877|-0.00964578|-0.00429675|0.01395171|0.00350570|0.00275637|-0.00776856|0.00066744|0.00073627|0.00094601|0.00005651|-0.00001696|0.00004014|0.00000445|-0.00006711|-0.00004034|0.00009522|-0.00018916|0.00011349|-0.00013743|-0.00006106|0.00018822|0.00050789|-0.00026716|0.00034205|0.00000640|-0.00006000|0.00003636|-0.00002339|-0.00017426|0.00007386|-0.00269434|0.00244154|-0.00297766|-0.16000297|-0.06029031|0.27017014|-0.00030701|0.00007155|-0.00005715|0.00011507|-0.00004659|-0.00027117|0.00012048|0.00012062|0.00029371|0.00053239|-0.00026231|-0.00082011|-0.00030594|-0.00013669|0.00027821|0.00014391|0.00024639|0.00059931|-0.00094867|0.00115152|-0.00235082|-0.00383285|-0.00592973|0.00001323|-0.00558026|0.00080982|-0.03478741|-0.07367983|-0.00911966|-0.07704839|-0.00266342|-0.00267509|0.00884109|0.00028426|-0.00002417|0.00037852|0.00006662|0.00002359|0.00007123|0.00004737|-0.00002421|0.00002468|-0.00000381|0.00003087|0.00000717|-0.00003186|0.00005985|0.00011903|-0.00010906|0.00000362|-0.00005037|-0.00002412|0.00002185|0.00002432|-0.00003736|0.00004175|0.00007324|0.00013901|0.00015209|-0.00021851|0.00235762|0.00290293|0.00156547|0.07550101|0.00017630|-0.00008897|0.00005163|-0.00000800|0.00002179|0.00013471|-0.00020262|-0.00005022|-0.00010791|0.00003103|0.00018775|0.00024145|0.00004021|-0.00002590|-0.00006938|-0.00004848|0.00005259|-0.00026883|0.00059101|-0.00036146|0.00078153|0.00202238|0.00097995|0.00056283|-0.00135149|-0.00509081|0.00775180|-0.00796074|-0.05472795|0.00429601|-0.00800570|0.00332374|-0.03371127|-0.00011109|0.00013576|0.00004157|-0.00004941|0.00000945|-0.00003242|-0.00002618|0.00002934|-0.00000795|0.00002500|0.00000585|-0.00002890|-0.00000695|-0.00002899|-0.00005493|0.00001552|0.00001964|-0.00000554|0.00000666|0.00001215|-0.00001157|0.00008584|-0.00003824|-0.00002849|-0.00002159|0.00007269|-0.00041686|-0.00153993|0.00071647|-0.00117413|0.00934051|0.05346541|-0.00008768|0.00005706|-0.00001552|0.00002519|-0.00010485|-0.00010731|-0.00007275|0.00009100|0.00009786|0.00028617|-0.00005895|-0.00029445|-0.00015155|-0.00007111|0.00010390|-0.00026286|0.00011558|0.00013658|0.00030674|-0.00015674|0.00023089|0.00026784|-0.00005676|0.00018601|0.00148545|-0.00124236|0.00289704|-0.07967879|0.00106122|-0.35581167|-0.00191211|0.00181075|-0.00847117|0.00007659|0.00009507|-0.00000218|0.00001389|0.00000622|0.00002972|0.00001659|-0.00000977|-0.00000049|-0.00004184|-0.00000176|-0.00001801|-0.00001755|0.00003231|0.00004975|-0.00003860|-0.00000268|-0.00002374|0.00000225|0.00001310|0.00001392|0.00001926|-0.00000950|0.00003032|0.00005116|-0.00006205|0.00030505|-0.00048092|-0.00044385|0.00081901|0.08634348|0.00103931|0.37235765|-0.00002204|0.00003661|-0.00007369|0.00005437|-0.00039674|0.00020007|-0.00042406|0.00030485|-0.00010718|0.00061671|0.00007499|0.00012069|-0.00008857|-0.00003308|-0.00004402|-0.00032076|0.00023338|-0.00047995|0.00044950|-0.00017402|0.00049516|0.00243877|0.00109498|0.00352298|-0.01341332|-0.02240298|0.02229965|-0.12504352|-0.10493231|0.08197176|0.00059634|0.00603457|-0.00858453|-0.00034164|0.00032477|-0.00042616|0.00007218|0.00000400|-0.00000392|-0.00004793|0.00009655|-0.00001498|-0.00005666|-0.00013641|0.00009310|0.00002834|0.00006519|-0.00002935|-0.00002085|0.00000889|-0.00003606|0.00001866|0.00000940|-0.00000295|0.00005769|0.00004015|-0.00002857|0.00001160|0.00019982|-0.00128829|-0.00358444|-0.00399682|-0.00330886|0.00687370|0.00876089|-0.00491381|0.13121004|0.00000151|-0.00002366|0.00004645|0.00008069|0.00006797|-0.00001755|0.00013632|-0.00002873|0.00006798|0.00003679|-0.00009931|-0.00018796|-0.00006628|0.00001623|0.00002736|0.00002926|0.00009888|0.00010356|-0.00009956|0.00016294|-0.00034207|-0.00158522|0.00011601|0.00068509|0.00435145|0.00381102|-0.00996464|-0.10579773|-0.18665406|0.11964537|-0.01473660|-0.01843846|0.02145523|0.00018142|0.00004039|-0.00042604|-0.00002223|0.00000944|0.00001001|0.00001158|-0.00001054|-0.00000162|0.00000023|0.00004018|-0.00004618|-0.00001353|-0.00001170|0.00000386|0.00000220|-0.00000580|0.00000244|0.00000471|0.00000278|0.00000871|0.00005244|-0.00005192|0.00004537|-0.00005509|0.00018277|-0.00039817|0.00210715|0.00091522|0.00083461|0.00261016|0.00278561|-0.00123080|0.11459860|0.19742139|-0.00001343|-0.00001022|0.00002114|0.00003889|0.00010980|-0.00001486|0.00011844|-0.00007123|0.00007032|-0.00004902|-0.00001924|-0.00008960|0.00001970|0.00000299|0.00001270|-0.00014222|-0.00004410|-0.00004172|0.00024475|0.00011212|0.00022138|-0.00189805|0.00034026|0.00070767|-0.00103687|-0.00477029|0.00034428|0.08509966|0.12312179|-0.16972529|-0.00905867|-0.01036637|0.00964150|-0.00019751|0.00007417|-0.00011732|-0.00004557|-0.00000005|0.00000092|0.00004336|-0.00005604|0.00003070|0.00004054|0.00009355|-0.00008172|0.00000102|-0.00002594|-0.00000221|-0.00002113|0.00001512|-0.00000962|-0.00000586|0.00000111|-0.00000038|0.00000679|-0.00001144|0.00000633|-0.00022442|-0.00032014|0.00022586|-0.00007508|-0.00030971|0.00043961|0.01753709|0.02172997|-0.01425098|-0.08985981|-0.12813582|0.17167659|0.00016741|0.00001967|0.00002023|0.00021294|-0.00033822|0.00033978|-0.00069434|0.00004231|-0.00035230|0.00023308|0.00035296|0.00064309|-0.00000370|-0.00010962|-0.00013384|0.00022498|-0.00023818|-0.00023378|-0.00083654|0.00003074|-0.00065152|0.00229966|-0.00363665|0.00041205|-0.00792420|0.00067113|0.03422465|0.00463261|0.00094752|-0.02573275|-0.06563820|0.01490214|0.07701120|0.00036891|-0.00038777|0.00006409|-0.00004313|0.00000037|-0.00003254|-0.00003348|0.00004672|-0.00001034|-0.00012139|-0.00005047|-0.00006902|0.00002076|0.00001566|-0.00009453|0.00000625|0.00000410|-0.00002883|0.00001926|0.00001007|-0.00002106|-0.00016847|0.00013150|-0.00001974|0.00018642|0.00051832|-0.00082575|-0.00118977|0.00620407|0.00149143|0.00111502|-0.00499568|-0.00173224|-0.00002501|0.00290639|0.00168428|0.06656120|-0.00012890|0.00003729|-0.00010161|-0.00019364|-0.00001112|-0.00016895|0.00014506|0.00007660|0.00010360|-0.00012742|-0.00019395|-0.00004608|0.00003373|0.00010429|-0.00001554|-0.00010954|0.00002518|0.00005476|0.00045092|-0.00038260|0.00045263|0.00162497|0.00194415|-0.00126560|0.00017780|-0.00476360|-0.01210853|0.00884833|-0.00382847|-0.02340348|0.01387850|-0.06894782|-0.03695237|-0.00014618|0.00018797|0.00021999|0.00006109|-0.00002329|0.00001725|0.00002404|-0.00002328|0.00001281|0.00004168|0.00002523|0.00009509|-0.00000130|0.00002941|0.00006146|-0.00001277|-0.00001653|0.00000572|-0.00000021|-0.00001723|0.00000609|-0.00000868|0.00000052|0.00000580|-0.00004722|-0.00053164|0.00033238|-0.00031931|-0.00148700|-0.00072510|0.00196505|-0.00356898|-0.00111282|-0.00184667|0.00246286|0.00016697|-0.01605305|0.06943621|-0.00007918|0.00004066|-0.00003691|-0.00009539|0.00001945|-0.00002994|0.00009397|0.00004082|0.00008790|-0.00011878|-0.00005893|-0.00012172|0.00006130|0.00004511|0.00003201|-0.00009897|0.00006272|0.00001709|0.00015263|-0.00014221|0.00054115|-0.00047361|0.00063916|-0.00020837|-0.00106614|-0.00057548|0.00277587|0.00306007|0.00037003|-0.00921559|0.07847779|-0.04190075|-0.34857328|-0.00014295|-0.00011922|0.00016624|0.00002120|-0.00000562|0.00000229|0.00000701|-0.00000788|0.00000919|0.00001122|-0.00000709|0.00002544|0.00002138|0.00000092|0.00001460|-0.00001656|0.00000860|-0.00000330|-0.00001320|-0.00000548|0.00000120|0.00006737|-0.00005454|-0.00001931|0.00002518|-0.00027505|0.00067239|-0.00078348|0.00007790|0.00045764|0.00083928|-0.00189257|0.00015561|-0.00042264|0.00057711|0.00154645|-0.08375619|0.04709441|0.36571177|-0.00006196|-0.00005599|0.00002812|0.00025564|0.00012862|-0.00033018|0.00005142|-0.00022115|0.00011101|0.00016628|0.00027514|-0.00025144|-0.00013400|-0.00028903|0.00018422|0.00005053|-0.00031913|0.00021044|0.00037039|-0.00068478|-0.00004700|-0.00216806|0.00566043|0.00403479|0.00205247|0.02576465|-0.02400728|-0.00200076|-0.01635452|0.01847564|-0.04672795|0.00776121|0.00062329|0.00030483|0.00121232|-0.00144826|0.00000303|0.00003881|0.00005328|-0.00001139|-0.00001066|-0.00001735|-0.00000059|-0.00000125|0.00000008|-0.00007728|-0.00002683|0.00014693|-0.00004774|-0.00001502|-0.00000405|-0.00002339|0.00003298|-0.00000433|-0.00017717|0.00005730|0.00004137|0.00008824|0.00004377|-0.00005295|0.00104176|-0.00358950|-0.00115288|0.00041637|0.00321236|0.00055011|0.00117431|-0.00460987|-0.00222260|0.00051248|-0.00826225|0.00414347|0.04567512|-0.00006572|0.00006035|-0.00006024|-0.00016037|-0.00004184|0.00006396|0.00019074|0.00011430|0.00000655|-0.00027914|-0.00024554|0.00010098|0.00014842|0.00022864|-0.00010586|0.00005160|0.00006983|-0.00005964|0.00014600|0.00041539|0.00023395|-0.00025949|-0.00112206|-0.00171223|-0.00149934|-0.00918659|0.00332091|0.00262596|-0.01660684|0.01316293|0.00876227|-0.26758813|0.14854624|-0.00054982|-0.00011936|0.00026271|0.00005792|-0.00002518|-0.00001778|0.00000113|0.00001021|0.00000738|-0.00000373|-0.00000167|0.00009631|0.00005119|0.00002180|-0.00003315|0.00003079|-0.00000937|0.00002066|0.00000551|-0.00003535|0.00000284|0.00007047|-0.00003543|-0.00003221|-0.00004555|-0.00006525|0.00007462|0.00080027|0.00106970|0.00049974|-0.00143885|0.00217922|0.00020016|0.00199587|-0.00284068|-0.00161014|-0.00095385|0.00946098|-0.00393063|-0.00988173|0.28432518|-0.00002634|-0.00001048|-0.00001420|-0.00005183|0.00005821|-0.00015266|-0.00001553|-0.00007993|-0.00001472|0.00002042|0.00011825|-0.00003216|-0.00004845|-0.00010560|0.00004464|0.00009706|-0.00011475|0.00014873|0.00014205|0.00005732|-0.00015366|-0.00083374|0.00024469|-0.00038724|0.00105437|-0.00514328|-0.00034486|0.00118176|-0.01436633|0.01059755|-0.00066704|0.15305173|-0.17232297|0.00002008|0.00008745|0.00029649|0.00001326|0.00000765|0.00001849|-0.00000540|-0.00000016|-0.00000805|-0.00000906|-0.00000428|0.00003775|-0.00003165|0.00000696|0.00006190|0.00000557|-0.00001589|0.00000816|-0.00000106|0.00000694|-0.00000131|-0.00005950|0.00005427|-0.00001342|0.00001218|-0.00034044|0.00044106|0.00067758|-0.00018770|0.00164393|-0.00136686|0.00120641|0.00157458|0.00103876|-0.00273502|-0.00062247|-0.00219116|0.02725988|-0.01403832|0.00109101|-0.15906711|0.17325731|-0.00064587|0.00010544|-0.00009888|0.00128920|-0.01421795|0.01233571|-0.00157688|0.00081325|0.00397021|0.00062818|0.00142536|-0.00039613|-0.00056206|-0.00068585|0.00004786|0.00030801|-0.00482281|-0.00053937|0.00035079|-0.00611953|0.01658265|0.00263198|0.02058628|-0.02726897|-0.00142215|0.00501302|0.00447726|0.00050336|-0.00053459|0.00000686|0.00016610|0.00120004|-0.00158384|-0.05875535|0.01154494|-0.00368191|0.00001799|0.00009669|0.00015901|0.00019915|0.00001899|-0.00009488|0.00005099|0.00001926|-0.00000441|0.00047266|-0.00088383|-0.00017766|-0.00027772|-0.00107027|0.00048027|0.00007977|0.00011080|-0.00001049|0.00003735|-0.00054972|0.00044543|0.00083209|-0.00280518|-0.00068225|-0.00006277|-0.00003925|-0.00014152|-0.00018863|0.00002014|-0.00005403|-0.00021341|-0.00012481|0.00001573|0.00011727|0.00000596|0.00008519|-0.00073257|0.00019943|-0.00004647|0.05675253|-0.00047862|0.00022089|0.00079015|0.00118166|0.00772742|-0.00547523|0.00116446|0.00075104|-0.00182101|0.00189864|-0.00151789|-0.00344489|-0.00101347|-0.00013627|0.00099528|0.00157623|-0.00332971|0.00309069|-0.00207674|-0.02464326|0.00939867|0.00096135|-0.00690977|0.00139312|-0.00012952|-0.00060870|-0.00115517|-0.00008782|0.00021644|0.00019906|-0.00031353|-0.00013156|0.00022646|0.00520491|-0.21790282|0.15323840|0.00012285|0.00014715|0.00022512|0.00004869|0.00017290|-0.00012566|0.00000046|-0.00001508|-0.00012319|-0.00060857|0.00114468|0.00000418|0.00011817|0.00066181|-0.00040993|-0.00012006|0.00001824|0.00007918|0.00032795|-0.00028243|0.00048678|0.00127543|0.00069339|0.00057016|0.00001875|-0.00005296|0.00001449|0.00010513|-0.00001587|0.00004224|0.00003551|0.00003117|-0.00001715|-0.00004019|0.00000482|-0.00000145|0.00013413|-0.00003230|0.00001118|-0.00930582|0.24378867|0.00035006|0.00081505|0.00038979|-0.00356036|0.02458827|-0.01462927|0.00380305|-0.00263675|-0.00500810|0.00037454|-0.00195812|-0.00237319|-0.00027579|0.00034353|0.00073641|0.00010364|-0.00350803|0.00158709|-0.00190950|-0.01485477|0.01764997|0.00363702|-0.00087412|-0.00492620|-0.00070608|0.00080802|0.00077166|0.00009211|-0.00005489|-0.00000011|0.00014214|0.00017833|-0.00025818|0.00037977|0.15643283|-0.20514761|-0.00005327|-0.00051944|0.00009275|-0.00030048|-0.00089359|-0.00026203|0.00005994|0.00000318|0.00006092|0.00057323|-0.00025509|0.00141348|0.00072263|0.00164674|-0.00041943|-0.00019832|-0.00005801|0.00002825|0.00002413|-0.00030408|0.00034818|0.00082090|-0.00045222|0.00163133|0.00006231|-0.00024189|0.00009312|-0.00003828|-0.00002648|0.00000760|-0.00011740|-0.00002728|0.00001070|-0.00000522|0.00001123|0.00002989|-0.00015543|0.00002904|-0.00002457|-0.00382535|-0.15819146|0.20819757| 166.12185 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 54.3592 92.1021 114.9916 148.7460 188.3123 259.9420 266.5248 313.4343 326.7954 434.5893 456.0651 529.0304 554.7552 590.6769 635.5891 679.6666 726.7183 780.8621 788.9672 806.7627 847.2679 869.4360 908.4908 927.9226 982.8700 1008.8684 1023.4319 1033.8219 1069.8143 1114.9050 1142.0856 1189.2674 1191.5718 1208.1094 1210.6120 1253.2031 1261.9875 1265.1012 1294.1198 1318.6417 1320.0029 1336.7769 1353.3893 1453.7099 1457.3406 1495.3316 1509.4548 1550.9017 1569.0011 1593.7502 1614.1980 1615.8541 1621.9250 1637.0223 1645.2466 1656.5058 1681.1838 1895.1681 3152.7959 3207.9500 3265.4338 3296.6953 3302.6626 3303.9952 3311.4988 3315.7594 3378.8271 3392.5585 3411.7065 3758.3206 3823.0955 3880.0902 3.2957 3.5825 3.3473 3.2403 3.5472 2.3149 1.2143 2.9622 3.2750 3.2574 3.9687 4.2028 2.9349 1.5061 3.9216 1.8650 3.2991 2.7032 2.4172 2.0330 1.2236 1.8371 1.3698 2.1801 3.3448 3.1960 2.5696 2.3981 3.3037 1.8035 1.6697 1.5090 1.5183 1.9155 1.3642 1.4490 1.4148 1.1965 1.5624 1.4845 2.0001 1.6984 2.2617 1.3035 1.9281 1.9269 1.2757 1.6224 1.2793 1.3948 1.4913 1.1160 1.9750 1.3172 1.1950 1.3924 1.8273 4.6479 1.0845 1.0397 1.1011 1.0876 1.1005 1.0545 1.0843 1.0680 1.1196 1.1137 1.0933 1.0765 1.0765 1.0782 0.0057 0.0179 0.0261 0.0422 0.0741 0.0922 0.0508 0.1715 0.2061 0.3625 0.4864 0.6930 0.5322 0.3096 0.9334 0.5076 1.0265 0.9711 0.8865 0.7796 0.5175 0.8182 0.6661 1.1060 1.9037 1.9166 1.5858 1.5101 2.2277 1.3208 1.2831 1.2575 1.2701 1.6472 1.1780 1.3407 1.3276 1.1283 1.5416 1.5208 2.0532 1.7881 2.4408 1.6230 2.4127 2.5386 1.7126 2.2992 1.8556 2.0874 2.2894 1.7169 3.0610 2.0797 1.9059 2.2511 3.0429 9.8357 6.3517 6.3038 6.9178 6.9646 7.0727 6.7825 7.0057 6.9181 7.5308 7.5522 7.4975 8.9589 9.2699 9.5637 0.7459 0.0931 0.6003 1.8022 4.1981 0.2838 0.4231 1.7196 0.9370 1.4308 9.9868 12.7661 8.9825 98.3987 2.8026 45.7651 46.2012 4.3907 23.2085 16.3997 2.4325 160.8313 12.0631 1.3078 36.6743 13.3701 24.0796 22.3740 10.1652 6.7944 44.1418 2.8922 8.8573 73.0100 4.1535 38.4547 12.9095 0.2631 26.6540 0.2475 0.3473 2.1830 6.1189 10.9488 5.0939 70.1249 30.3336 12.7972 11.6237 17.3229 65.9713 2.8983 42.0107 2.9690 10.4843 14.6451 3.9103 617.5679 63.9572 35.1642 33.7177 10.7928 27.6199 24.1410 52.1035 25.6798 3.0676 18.4057 10.8745 1.2811 13.5261 52.7275 0.6468 2.2047 1.1180 0.9753 0.3327 0.5716 0.3862 0.8947 2.9153 2.6821 3.2808 1.3820 2.6187 1.5705 1.8055 1.7835 11.9660 17.0823 7.4311 7.0390 3.7379 3.9847 5.9317 5.8537 5.4531 10.7261 2.7397 2.0160 9.4053 9.7764 4.1736 3.5535 2.4858 2.6054 0.4791 4.5114 2.5046 1.5392 3.8179 9.5283 32.0851 6.7622 5.1513 1.9296 6.2776 7.9380 8.2023 1.1392 2.6939 7.3464 8.2741 12.9745 5.8901 6.4512 10.6567 8.7425 12.9455 20.3341 99.6282 120.3721 70.4598 50.8927 30.7335 41.1041 47.2791 254.6667 77.4667 62.1761 26.6945 119.1689 63.2291 72.9138 0.7439 0.7181 0.6365 0.7500 0.6966 0.7292 0.6411 0.6841 0.2461 0.7496 0.3559 0.5936 0.6639 0.1141 0.6658 0.5318 0.1801 0.3391 0.5684 0.2468 0.7464 0.4874 0.7173 0.4448 0.7489 0.6531 0.7391 0.2650 0.7487 0.7396 0.7488 0.6961 0.5601 0.3351 0.7499 0.5951 0.6819 0.7470 0.6865 0.3657 0.1970 0.7325 0.6718 0.5182 0.2997 0.7456 0.7338 0.5911 0.6877 0.3863 0.6472 0.7431 0.7493 0.6048 0.5694 0.3764 0.1681 0.2702 0.3798 0.0438 0.7411 0.7412 0.6841 0.5594 0.4600 0.0610 0.7497 0.7383 0.0941 0.3300 0.2812 0.2460 0.8532 0.8360 0.7779 0.8571 0.8212 0.8434 0.7813 0.8124 0.3950 0.8569 0.5250 0.7450 0.7980 0.2049 0.7994 0.6944 0.3052 0.5065 0.7248 0.3959 0.8548 0.6553 0.8354 0.6157 0.8564 0.7902 0.8500 0.4189 0.8563 0.8503 0.8563 0.8208 0.7180 0.5020 0.8571 0.7461 0.8109 0.8552 0.8141 0.5356 0.3292 0.8456 0.8036 0.6826 0.4611 0.8543 0.8465 0.7430 0.8150 0.5574 0.7858 0.8526 0.8567 0.7537 0.7256 0.5470 0.2879 0.4255 0.5506 0.0839 0.8513 0.8513 0.8124 0.7174 0.6302 0.1149 0.8570 0.8495 0.1720 0.4962 0.4389 0.3949
298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 6 6 7 6 7 7 7 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 14.00307 12.00000 14.00307 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783
1375.67123 2229.28873 2730.57742 0.99943 -0.03368 -0.00110 0.03368 0.99940 -0.00789 0.00136 0.00785 0.99997 1 0.06296 0.03885 0.03172 1.31190 0.80956 0.66094 78.21 132.51 165.45 214.01 270.94 374.00 383.47 450.96 470.19 625.28 656.18 761.16 798.17 849.85 914.47 977.89 1045.59 1123.49 1135.15 1160.75 1219.03 1250.92 1307.12 1335.07 1414.13 1451.54 1472.49 1487.44 1539.22 1604.10 1643.21 1711.09 1714.41 1738.20 1741.80 1803.08 1815.72 1820.20 1861.95 1897.23 1899.19 1923.32 1947.23 2091.56 2096.79 2151.45 2171.77 2231.40 2257.44 2293.05 2322.47 2324.85 2333.59 2355.31 2367.14 2383.34 2418.85 2726.72 4536.17 4615.52 4698.23 4743.21 4751.79 4753.71 4764.51 4770.64 4861.38 4881.13 4908.68 5407.39 5500.58 5582.58 0.243032 0.253448 0.254392 0.206636 -528.527016 -528.516600 -528.515655 -528.563412 1.601778D-04
MUNgauss RevisionA2.1 retrievium 17-Nov-2022 GDB_13 Smiles: CC1NC(=N)NN2C(C3CC3)C12 RHF 6-31G(d) (6D,10F) C1 166.121847 |X|Y|Z| 32.673310 24.641715 17.657031
24.224821 10 6 7 7 3
|36.858105| |12.493347|36.858105| |7.793293|13.068731|53.358707| |5.096100|7.738574|18.715762|36.858105| |3.969000|5.310891|10.947605|15.077038|53.358707| |4.553175|6.712801|11.161315|13.845264|11.425062|53.358707| |5.017770|7.454775|9.302344|7.768699|7.296307|18.502297|53.358707| |5.668707|7.154396|8.435752|5.899866|5.848278|10.652795|17.810807|36.858105| |5.300025|5.871927|8.197568|5.586094|5.781506|8.917158|9.994948|12.734583|36.858105| |4.494917|4.381450|5.835095|3.909048|4.374193|5.891025|6.602282|7.399304|12.676791|36.858105| |3.768751|4.030913|5.722903|4.214181|4.779840|6.804610|7.248168|7.409628|12.715175|12.729467|36.858105| |7.548647|12.599222|10.624413|6.703151|6.356300|10.665510|17.919300|12.840394|7.171245|5.062772|4.790619|36.858105| |17.535371|8.808243|9.594315|4.679677|5.253771|5.396644|5.578980|4.376607|4.288042|3.747832|3.234279|5.499186|0.500000| |17.554647|8.828778|7.656524|4.157457|4.558306|5.350782|6.196357|5.168866|4.571601|4.115168|3.420208|6.903122|0.301970|0.500000| |17.595487|8.815775|9.561374|4.819154|5.148401|6.045318|6.609829|6.063660|6.401099|5.656604|4.392694|6.793568|0.300585|0.300341|0.500000| |8.928958|17.469348|12.401836|6.664907|6.838417|7.825038|8.502687|5.458242|4.457350|3.529084|3.324095|9.091857|0.214068|0.214988|0.173942|0.500000| |7.134850|9.255705|25.985880|9.593333|10.303960|8.133907|6.890225|4.713516|4.758220|3.679408|3.562944|5.723718|0.210924|0.144510|0.174948|0.219643|0.500000| |3.971466|5.039014|10.468478|10.102718|25.871611|8.262713|5.998812|3.757350|3.803572|2.987941|3.159860|4.149155|0.112369|0.092177|0.104274|0.135126|0.239325|0.500000| |3.721217|5.142503|8.161801|9.606184|10.813080|26.067453|13.058404|5.942623|5.093371|3.663050|4.316731|5.912367|0.092694|0.092226|0.100288|0.132311|0.134333|0.156532|0.500000| |4.648897|5.377565|6.279425|4.494412|4.786395|7.906976|12.359899|17.660427|8.848570|7.008971|6.964242|8.777597|0.102686|0.126404|0.137314|0.124185|0.103914|0.086683|0.136436|0.500000| |5.719275|6.377471|10.371416|6.709625|6.812179|9.403433|8.951837|8.696170|17.786764|8.669271|8.688635|6.568141|0.133110|0.127954|0.194495|0.131107|0.165016|0.126254|0.145001|0.171680|0.500000| |4.339810|4.003071|5.488632|3.592703|4.131344|5.116474|5.439186|5.492973|8.577940|17.707508|8.575505|4.255585|0.104358|0.108942|0.156704|0.090645|0.099905|0.080369|0.089501|0.141403|0.213277|0.500000| |4.280173|4.089229|5.131020|3.439549|3.883692|5.237070|6.188229|6.933609|8.561365|17.694853|8.597280|4.910445|0.098238|0.115293|0.144850|0.093942|0.090842|0.073926|0.092424|0.210834|0.171563|0.293295|0.500000| |3.342313|3.638383|5.007133|3.802782|4.384102|6.410438|7.155212|6.956843|8.590687|8.600261|17.700888|4.516422|0.079947|0.086880|0.104130|0.085964|0.087134|0.079775|0.118106|0.208497|0.172002|0.170955|0.211204|0.500000| |3.364548|3.573300|5.334581|4.014910|4.754228|6.200564|6.063632|5.501654|8.601609|8.576251|17.715834|3.987922|0.083009|0.083916|0.108043|0.083342|0.094969|0.088096|0.112371|0.140628|0.213995|0.209637|0.170957|0.293150|0.500000| |6.490461|8.821702|7.716265|5.063777|5.244141|7.877756|12.247667|8.672977|5.387312|4.298197|4.011865|17.664870|0.136551|0.191251|0.156595|0.227497|0.127462|0.097137|0.134934|0.217804|0.135052|0.101890|0.122926|0.109486|0.093751|0.500000|
528.239158 -2735.546512 1001.080537 -73.177565 -1279.404381 750.634328 -528.770053 2.001005 406D800000000004 41A2A96EB9FFFFFB 413A8A9219999992 40FC35F000000001 C010000000000000 4190E58DB8000000