Version2.5 2022-11-24T10:25:11Z 10.1021/ja902302h Gaussian16 RevisionB.01 DOC1ROB 12-Nov-2022 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) GDB_13 Smiles: C=C1CCN(C=N)C=CC=CC1 RHF 6-31G(d) (6D,7F) C=C1CCN(C=N)C=CC=CC1 C1[X(C10H14N2)] 72 C1 208 C=C1CCN(C=N)C=CC=CC1 N=CN1C=CC=CCC(=C)CC1 C=C1CCN(C=N)C=CC=CC1 InChIKey=VXEUIVBOJBKQSL-UHFFFAOYSA-N InChI=1S/C10H14N2/c1-10-5-3-2-4-7-12(9-11)8-6-10/h2-4,7,9,11H,1,5-6,8H2 InChI=1/C10H14N2/c1-10-5-3-2-4-7-12(9-11)8-6-10/h2-4,7,9,11H,1,5-6,8H2 C=C1CCN(C=N)C=CC=CC1 C01[X(C10H14N2)] 72 C1 208 C=C1CCN(C=N)C=CC=CC1 NCN1CCCCC[C@H](CC1)C C[C@@H]1CCCCCN(CN)CC1 InChIKey=KHUALIJIQUCLGK-SNVBAGLBSA-N InChI=1S/C10H22N2/c1-10-5-3-2-4-7-12(9-11)8-6-10/h10H,2-9,11H2,1H3/t10-/m1/s1 InChI=1/C10H22N2/c1-10-5-3-2-4-7-12(9-11)8-6-10/h10H,2-9,11H2,1H3/t10-/m1/s1 4.951856752014D+02 -2.533874892669D+03 689.1411120669 -495.6406538 1-A 2182.5730 44 164 208 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -15.57760 -15.51860 -11.30272 -11.26886 -11.25729 -11.23827 -11.22873 -11.22748 -11.22704 -11.22658 -11.22529 -11.21302 -1.28349 -1.17044 -1.11240 -1.08355 -1.00984 -0.99387 -0.92763 -0.87238 -0.84657 -0.77694 -0.72585 -0.71305 -0.67892 -0.67074 -0.65124 -0.63189 -0.62669 -0.60615 -0.59688 -0.57738 -0.54667 -0.53821 -0.51567 -0.50681 -0.49601 -0.47418 -0.46702 -0.41191 -0.38602 -0.35585 -0.34822 -0.32323 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.15381 0.18932 0.20255 0.21322 0.23584 0.25312 0.25932 0.27595 0.28955 0.29209 0.29711 0.31179 0.32850 0.33774 0.34339 0.35148 0.35779 0.38197 0.38934 0.40999 0.43073 0.43391 0.48212 0.51352 0.52243 0.55572 0.58027 0.58224 0.60929 0.61850 0.67632 0.72491 0.74465 0.75125 0.75472 0.78224 0.78778 0.79690 0.80562 0.81664 0.83050 0.84693 0.86249 0.86649 0.90082 0.90851 0.91690 0.91942 0.93232 0.95044 0.97744 0.98809 1.00498 1.02989 1.04756 1.05769 1.07446 1.08680 1.09312 1.11373 1.12344 1.13604 1.14042 1.15038 1.15756 1.16796 1.17781 1.19506 1.19872 1.21506 1.21672 1.23477 1.23701 1.25151 1.26960 1.28523 1.32047 1.35650 1.37285 1.41456 1.42747 1.47897 1.48381 1.49129 1.50826 1.54787 1.55070 1.60835 1.66241 1.70335 1.73881 1.75882 1.77896 1.80854 1.81695 1.83593 1.91339 1.92548 1.96947 1.99046 2.03247 2.05127 2.06438 2.11613 2.11921 2.14100 2.15620 2.17457 2.19061 2.20494 2.25195 2.28639 2.30230 2.32402 2.34238 2.36157 2.36471 2.38361 2.41695 2.45138 2.48247 2.52234 2.53789 2.57002 2.58469 2.61484 2.67699 2.68680 2.71273 2.73372 2.74358 2.77227 2.79549 2.81016 2.83870 2.84840 2.89668 2.90180 2.92973 2.96486 2.99530 3.01974 3.04622 3.09208 3.15767 3.22010 3.26109 3.27318 3.31072 3.34709 3.48272 3.57128 4.25303 4.48019 4.55440 4.57434 4.61598 4.63951 4.73931 4.85612 4.89369 4.90040 4.97500 5.02396 12.98081 1.5791 -1.8655 0.2858 2.4608 |XX|YY|ZZ|XY|XZ|YZ| -79.1562 -66.1471 -72.2837 5.9653 0.0361 1.5077 |XX|YY|ZZ|XY|XZ|YZ| -6.6272 6.3819 0.2453 5.9653 0.0361 1.5077 |XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| 21.1074 -11.9995 -0.7384 -15.1505 -20.5602 -3.9424 -9.0237 2.0423 -4.9177 -7.4516 |XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY| -1896.7694 -835.7169 -231.5177 105.0051 44.5275 -1.9465 4.9992 -0.7391 -3.0141 -419.9634 -350.8996 -175.0716 31.5376 0.5673 11.0099 0 |0.93686894|0.11930656|0.72735288|-0.06520541|0.16974774|0.19518500|-0.55601411|-0.19846714|0.00027248|0.90750884|-0.19845795|-0.22000556|-0.02156066|0.16649293|0.61760084|0.00033687|-0.02174386|-0.07237167|-0.03771043|0.10898033|0.27229894|-0.03227327|0.01825222|0.01311621|-0.18749584|0.04765272|0.03222662|0.55289113|-0.01069331|0.01358128|0.00269765|0.05810051|-0.14085410|-0.02594775|0.04730750|0.66180874|0.00165759|-0.00127367|0.00806133|0.03482221|-0.02502928|-0.10589872|-0.04142648|-0.01083376|0.58721701|0.00084482|0.00145327|-0.00026738|-0.02623302|0.00290058|-0.01643625|-0.14011597|0.00600495|-0.05954397|0.55357575|0.00224708|-0.00216309|-0.00200959|0.01232482|0.00283788|0.01804311|0.01326392|-0.09703815|0.00153881|-0.06441564|0.65115621|0.00392198|-0.00201384|-0.00222019|0.00444769|0.00655525|0.01233676|-0.05047689|0.00155906|-0.14935992|-0.05632835|0.04491943|0.62705256|-0.00173323|0.00153788|0.00059884|-0.00000845|-0.00279043|-0.00367313|-0.02557920|-0.02347051|0.00782285|-0.17817057|-0.06813915|0.05170818|0.67140761|-0.00060997|0.00090998|0.00050708|-0.00045053|-0.00228080|-0.00190652|-0.01017485|0.00208360|-0.00197982|-0.05357959|-0.15997938|-0.00144686|0.07368454|0.64907128|-0.00041824|0.00039015|0.00024359|-0.00139220|-0.00122852|0.00032879|-0.01221495|-0.01185006|0.00738702|0.04251395|-0.00809763|-0.08273610|-0.17610530|0.20800414|0.29762417|0.00093794|-0.00043028|-0.00024304|-0.00107285|0.00091789|0.00043252|-0.00009809|0.00123547|0.00002771|-0.03930139|-0.00077596|0.01294580|-0.24698124|0.04628399|0.09373158|0.96247120|-0.00029294|0.00018031|0.00001800|0.00000282|-0.00038498|-0.00067987|-0.00103908|-0.00198706|0.00171946|-0.01401589|0.02219471|0.01328340|0.07524365|-0.19794178|-0.08489494|0.21606449|0.79854463|-0.00049381|0.00021539|0.00012477|0.00029450|-0.00026188|-0.00105962|-0.00292343|-0.00320080|0.00157552|0.01521132|0.00743046|-0.01256448|0.08237907|-0.06581616|-0.11745941|-0.16694088|0.16749300|0.33065719|-0.00059554|0.00033157|0.00012934|0.00065773|-0.00051477|-0.00066602|-0.00048351|-0.00171153|0.00125485|0.00644284|0.01085992|0.00103080|-0.08828292|0.00359314|0.02681119|-0.57242692|-0.29242368|0.04622442|0.89792367|-0.00023806|0.00025982|0.00008221|0.00031453|-0.00033600|-0.00025713|0.00033924|0.00024247|0.00016838|0.00426622|-0.00319002|-0.00127548|0.00722905|0.03695133|0.00603427|-0.20657058|-0.27612446|-0.01494555|0.09186911|0.46246547|0.00009848|-0.00005775|0.00003004|0.00001084|0.00003704|0.00029026|0.00033165|0.00035276|-0.00050545|0.00014049|-0.00263074|-0.00008108|0.03281452|0.00827755|0.00288083|0.07575166|0.01061289|-0.09047657|-0.22593192|0.13087999|0.18468762|-0.00006423|0.00016233|0.00004407|-0.00035613|-0.00053515|-0.00026857|-0.00220385|-0.00144526|0.00065893|0.00207544|-0.01981140|-0.01644851|-0.12841471|-0.03981930|-0.01419049|0.01443426|0.03651466|0.01540577|-0.00224099|0.00176903|-0.00113006|0.54905312|0.00066300|-0.00141314|-0.00039964|-0.00026741|0.00233617|0.00156556|0.00106393|0.00022081|-0.00107777|-0.01381752|-0.02244388|-0.00275593|-0.02986554|-0.23766171|-0.08307164|0.02541056|-0.02969232|-0.02174828|-0.01183105|-0.00329147|0.00366296|-0.21880037|0.87165167|0.00043952|-0.00067099|-0.00015629|-0.00077475|0.00071220|0.00097696|-0.00172806|0.00006946|-0.00048894|-0.01032211|0.01154946|0.00092014|-0.00569794|-0.09954992|-0.12477507|0.00672086|-0.01958974|-0.00998281|-0.00602610|-0.00020288|-0.00390728|0.27383008|-0.00412148|0.47655737|-0.00003478|0.00011446|0.00010446|0.00074775|0.00035789|-0.00059606|-0.00001156|-0.00018570|0.00001538|-0.00131039|-0.00175098|0.00031718|0.01422972|-0.00511756|0.00373635|-0.00248095|-0.00341709|-0.00019682|0.00036024|0.00115506|0.00045443|-0.21517835|0.21396608|-0.09156133|0.46723368|-0.00005326|0.00007061|-0.00001568|-0.00089578|-0.00094754|0.00053916|-0.00016262|0.00016223|0.00028294|0.00588529|-0.00034830|0.00055826|0.01482039|-0.04062289|-0.00481677|-0.00924173|-0.00140648|0.00232873|0.00207112|0.00189279|0.00040129|0.22312630|-0.49996123|0.09878878|-0.18179523|0.89729912|-0.00018296|0.00050804|0.00005406|0.00013883|-0.00088215|-0.00004438|0.00014288|-0.00011854|0.00047357|0.00355259|-0.00135507|0.00019647|0.01042667|-0.02251568|0.00734666|-0.00340655|-0.00346182|0.00012080|0.00208377|0.00010545|0.00050469|-0.09693842|0.09756829|-0.13143764|0.26616886|-0.00365225|0.47811434|0.00032080|-0.00034216|-0.00007173|-0.00079294|0.00220734|0.00082329|-0.00061615|0.00021305|0.00105694|0.00217582|-0.00071900|0.00024003|-0.00617924|-0.00380429|0.00447325|0.00047610|0.00095583|0.00006827|0.00049879|-0.00071778|-0.00026251|-0.00330834|0.00935833|-0.01728659|-0.17003146|0.01229952|-0.08791309|0.89265378|-0.00016121|-0.00091997|-0.00041086|-0.00108982|0.00063385|0.00159510|-0.00004083|-0.00044299|-0.00062024|-0.00095388|-0.00066394|0.00005264|-0.00175486|0.00313359|0.00209382|0.00167412|0.00014527|-0.00017848|-0.00045748|-0.00032991|0.00002348|0.02300450|0.00269899|0.02431236|0.01245105|-0.11395858|0.02931404|0.23662861|0.39414425|-0.00002183|0.00172568|0.00083582|0.00245361|-0.00074018|-0.00387679|0.00049610|0.00018959|-0.00006559|0.00180394|0.00112921|0.00055892|0.00476253|-0.00314680|-0.00504460|-0.00327379|0.00003604|0.00065361|0.00111128|0.00059325|-0.00015001|-0.00746147|0.01085777|-0.00128344|-0.09081552|0.02390022|-0.20037363|0.08664767|-0.18943009|0.54278283|0.00037769|-0.00033653|0.00039988|-0.00528053|-0.01138780|0.00226070|0.00132309|0.00114308|-0.00126194|-0.00042283|0.00047686|-0.00090701|0.00054529|-0.00000194|0.00155560|-0.00027823|0.00020752|0.00022882|0.00011475|0.00001564|0.00003971|0.00032771|-0.00391730|0.00067423|-0.02007968|-0.00435685|-0.00786663|-0.58963665|-0.17600714|-0.04097757|0.91146446|0.00146694|-0.00284712|-0.00111269|-0.02203098|-0.02447768|0.02452651|0.00105190|-0.00022221|-0.00080992|0.00043212|0.00028687|-0.00049482|0.00131100|-0.00045029|0.00070675|-0.00073156|0.00019142|0.00030084|0.00029980|0.00007799|-0.00011740|-0.00014432|-0.00270175|0.00245844|0.00330154|0.01248776|-0.00518602|-0.16983642|-0.14003310|0.01970663|0.20483725|0.36230388|-0.00055992|-0.00490262|-0.00194702|-0.00633503|0.00122385|0.01590915|-0.00075216|-0.00119362|0.00011478|-0.00196586|-0.00014150|-0.00069351|0.00031412|0.00181231|0.00200212|0.00059374|0.00008004|-0.00011340|-0.00010775|-0.00002897|0.00018249|-0.00026743|-0.00390257|-0.00303102|-0.03021417|-0.00809550|0.00238795|-0.04578430|0.01638540|-0.12079990|0.12559797|-0.17040391|0.56697774|-0.00167658|-0.03532322|-0.01078559|-0.10388942|-0.00640744|-0.00297780|0.00807667|0.02819898|0.00835148|0.00173811|0.00062891|0.00048599|-0.00033670|-0.00066365|-0.00009718|-0.00025145|0.00017892|0.00024914|0.00007432|-0.00007357|-0.00009861|-0.00103690|-0.00012448|0.00021211|-0.00078605|0.00173403|0.00198762|-0.01228365|-0.02151370|0.02490309|-0.13523453|-0.03653718|0.04266975|0.66764530|-0.00674759|-0.01725026|-0.00832179|-0.01699573|-0.21327280|-0.03821007|0.00003126|-0.01671802|-0.00629237|-0.00004422|-0.00011830|0.00074132|-0.00010364|0.00015179|-0.00033323|0.00000208|-0.00006146|-0.00007285|-0.00005690|-0.00004265|0.00002956|0.00070588|0.00077388|0.00075286|0.00377948|-0.00617646|-0.00268942|-0.00964853|-0.00056213|0.00893428|-0.03529818|-0.13469739|0.05780101|-0.03701258|0.53576704|-0.00050506|-0.00371303|0.00768210|-0.00622724|-0.04408458|-0.10517604|-0.00063518|-0.00927802|0.00198889|-0.00023739|-0.00067770|0.00201793|-0.00018248|0.00073424|-0.00005865|0.00014740|-0.00013036|0.00005581|0.00002013|0.00008857|-0.00007554|0.00049629|0.00043619|-0.00029409|0.00151326|-0.00409479|-0.00025773|0.00192797|-0.00076622|0.00910728|0.04463363|0.06649491|-0.17463837|0.02736700|0.00046935|0.60413618|-0.07414712|-0.03234008|-0.00607531|0.00053442|-0.03300879|-0.00979710|0.00106560|-0.00152944|-0.00172345|-0.00027559|-0.00001754|0.00006619|0.00018404|0.00018367|0.00007978|-0.00003397|-0.00003597|0.00001344|0.00003341|0.00005824|0.00000173|0.00002329|-0.00021683|-0.00015637|0.00007605|-0.00002900|0.00009725|-0.00005815|-0.00018588|0.00037664|-0.00001743|-0.00105963|-0.00109191|-0.00461679|-0.00065048|0.00251995|0.06998214|-0.03911483|-0.34440497|-0.08859786|0.00120507|-0.01157900|-0.00566630|0.00202426|-0.00072568|0.00272260|0.00007986|0.00033507|-0.00033475|0.00025059|0.00023710|0.00007485|0.00011039|-0.00003007|0.00000808|-0.00003858|0.00001530|0.00001534|0.00004303|-0.00024465|-0.00008359|-0.00001367|0.00006231|0.00012535|-0.00002525|-0.00010905|0.00019076|-0.00000982|0.00045664|-0.00025275|-0.00263047|0.00227106|-0.00356369|0.04265491|0.36398602|-0.00808975|-0.08949234|-0.06975506|0.00045118|-0.00137632|0.00524905|-0.00051429|0.00244306|-0.00857596|-0.00086374|0.00025715|0.00059255|-0.00021810|0.00002165|0.00006686|0.00005222|-0.00008402|-0.00006781|-0.00006151|0.00002452|0.00000066|-0.00002720|-0.00003369|-0.00009855|0.00011791|-0.00009304|0.00001684|-0.00004478|-0.00024358|0.00057851|-0.00086279|-0.00200651|-0.00172209|0.00158739|-0.00400068|0.01402192|0.00800882|0.09891389|0.05820883|-0.27153064|0.12456257|0.06745699|-0.02256275|0.02022933|0.00999622|-0.00255087|-0.00459943|0.00052713|0.00019961|0.00060954|0.00090781|-0.00064035|-0.00024140|-0.00016346|0.00038285|-0.00009361|-0.00015325|-0.00024520|-0.00011562|0.00002717|-0.00002927|0.00033320|0.00019403|0.00003364|-0.00004345|-0.00008882|0.00009411|0.00007169|-0.00018985|0.00038639|-0.00024004|0.00004678|0.00035868|0.00260480|-0.00057742|0.00764334|-0.00323347|-0.00154269|0.28850423|0.13150940|-0.15019437|-0.04986215|-0.01421508|0.01125706|0.00364596|-0.00245636|-0.00038300|-0.00452170|-0.00070319|0.00088665|0.00040694|-0.00001039|-0.00006645|0.00004413|-0.00007607|-0.00001829|-0.00000735|0.00003661|0.00001518|0.00001333|-0.00000875|0.00005697|0.00000691|0.00001539|-0.00002512|-0.00003549|-0.00004055|-0.00004520|0.00006684|-0.00030156|-0.00014111|-0.00022920|-0.00094115|0.00003359|0.00310657|0.02583540|-0.01124910|-0.00775410|-0.13853931|0.14894618|0.06937691|-0.04913540|-0.06702666|-0.00010538|-0.00066327|0.00535312|0.00132938|-0.00358147|0.01418982|0.00135033|-0.00112405|-0.00114014|0.00066514|0.00017673|-0.00021280|-0.00015695|0.00016917|0.00020764|0.00017542|0.00003508|-0.00006309|0.00006213|-0.00016369|-0.00006259|-0.00004695|0.00007019|0.00005265|0.00004820|0.00013271|-0.00033580|0.00068890|0.00083104|0.00087349|-0.00145803|0.00247976|-0.00846326|0.00750727|-0.00416735|0.00085919|-0.07585434|0.05485276|0.05511350|-0.00187448|0.00363832|0.00079423|-0.01492136|-0.01381680|0.02683063|-0.09141200|-0.04036284|0.09233256|0.00753329|0.00958103|-0.02700555|0.00299151|0.00023475|0.00043306|-0.00072760|0.00045484|-0.00019988|0.00011687|0.00003794|0.00002922|-0.00011692|-0.00041229|-0.00031636|-0.00003946|0.00007827|0.00009736|0.00044432|-0.00021299|-0.00034813|0.00019701|-0.00002770|0.00004915|0.00010508|-0.00066139|-0.00075477|0.00015321|-0.00051438|0.00151297|-0.00115950|0.00069565|-0.00252255|0.10619320|0.00135471|-0.00158551|-0.00041597|0.00687935|0.01204038|-0.01927973|-0.03843580|-0.10487298|0.09647062|-0.00131070|-0.00017151|-0.00204005|0.00008291|0.00054061|-0.00106166|-0.00045805|0.00077582|0.00040700|0.00021952|-0.00013539|-0.00017496|-0.00003487|0.00010185|-0.00034224|-0.00007415|0.00006682|0.00001564|-0.00016221|-0.00066733|-0.00005336|0.00019765|-0.00150074|-0.00052820|-0.00052185|0.00047329|0.00063037|0.00005308|0.00040157|-0.00022620|0.00062705|-0.00009289|0.00135266|0.04382139|0.10807763|0.00008824|-0.00156533|-0.00003864|0.00529025|0.00378471|-0.00640817|0.08641651|0.09359893|-0.26263306|0.00875723|0.01084251|-0.02529669|0.00321609|-0.00042879|0.00459144|-0.00141067|0.00000690|0.00020362|0.00033143|0.00016436|0.00003590|-0.00003691|-0.00021243|0.00004698|-0.00012595|-0.00014988|-0.00027703|-0.00097337|0.00031347|0.00029300|0.00069596|0.00062062|0.00041847|0.00046443|0.00021792|-0.00027060|-0.00005178|0.00008889|-0.00005768|0.00035902|0.00008905|0.00026021|-0.09464962|-0.10592748|0.28272852|0.00025849|0.00120046|0.00039204|0.00866941|0.03197365|0.00618521|-0.07957028|-0.07438916|-0.01572758|-0.00609894|-0.02443224|-0.00355048|-0.00581611|0.00005528|-0.00264235|0.00155449|-0.00148313|-0.00139526|-0.00101912|0.00003615|0.00031604|-0.00046331|0.00091420|0.00040398|0.00005940|-0.00003254|-0.00010542|0.00008535|-0.00000633|-0.00025896|-0.00040728|-0.00078704|0.00034294|-0.00564741|0.00202808|0.00133485|-0.00088789|-0.00011114|0.00023118|0.00048651|-0.00011087|-0.00013089|-0.00303044|-0.01244976|-0.00347885|0.09265417|-0.00182034|0.00100908|0.00039375|-0.00682026|-0.02013454|-0.00358261|-0.07207424|-0.31189616|-0.05230832|0.00367464|0.00167045|0.00246654|-0.00107494|0.00124638|0.00013116|0.00081281|-0.00063265|-0.00049114|-0.00036697|0.00006498|0.00007506|0.00018573|0.00010329|-0.00013949|0.00005385|0.00008968|0.00019303|0.00024205|-0.00003433|0.00008830|0.00017582|0.00048658|-0.00052805|0.00399447|-0.00000908|-0.00028738|0.00063344|0.00138993|0.00057539|-0.00003944|0.00068313|-0.00006563|-0.00344772|-0.01308956|-0.00230498|0.07654625|0.33726603|-0.00122689|0.00040703|-0.00029928|-0.00258613|-0.01407279|-0.00298337|-0.01423874|-0.05001960|-0.07148492|-0.00632657|-0.02291795|-0.00448893|-0.00252274|-0.00045732|-0.00110576|0.00032152|-0.00041030|-0.00061671|-0.00045436|-0.00002608|0.00008405|-0.00043072|0.00025669|0.00015553|-0.00007862|-0.00002722|-0.00020249|-0.00051333|0.00016210|0.00015277|0.00024569|0.00047995|0.00015863|0.00297137|-0.00056201|0.00062861|0.00029522|0.00033092|0.00064559|-0.00021087|0.00022289|-0.00014527|0.00741923|0.03116497|0.00967810|0.01841809|0.05602563|0.06948802|-0.00080426|0.00060729|0.00056667|-0.00091673|-0.00075864|-0.00411621|-0.01055947|0.02289672|-0.00306830|-0.09245019|0.09989860|-0.00512323|0.00159288|-0.03823522|0.00103126|0.00062828|-0.00324119|-0.00059508|-0.00025844|-0.00044524|0.00071970|-0.00185081|-0.00024276|0.00517026|-0.00006179|-0.00124793|-0.00111605|-0.00048619|0.00012963|-0.00016809|-0.00000849|-0.00024987|0.00029979|0.00007441|-0.00023698|0.00029846|-0.00002378|-0.00003988|-0.00019671|-0.00020143|-0.00022042|0.00035390|-0.00104617|0.00036137|-0.00143109|-0.00009420|0.00021556|-0.00016261|0.11059498|0.00011422|-0.00025934|0.00002803|0.00028854|0.00105251|0.00051652|-0.00093835|-0.00063576|-0.00251368|0.09121936|-0.30675955|0.02537653|-0.00548408|-0.02447580|-0.00079141|0.00615793|-0.00256581|-0.00489075|-0.00177360|0.00101239|0.00060487|-0.00112770|-0.00070667|0.00563239|-0.00055499|-0.00065348|-0.00096234|-0.00032743|0.00010376|-0.00013693|0.00000782|-0.00011062|0.00015174|-0.00026108|0.00012667|0.00005065|0.00005618|0.00003080|0.00007480|0.00001961|0.00005308|-0.00010862|0.00021080|0.00018198|-0.00006410|-0.00054066|0.00266520|-0.00033098|-0.09123454|0.33720582|-0.00069841|0.00068779|0.00064576|-0.00141575|-0.00102914|-0.00423527|-0.01408794|0.02510800|-0.00097111|-0.00653946|0.02135965|-0.06549078|0.00049397|0.00950560|0.00149680|0.00052245|0.00203608|0.00143612|-0.00019848|-0.00020618|-0.00073124|0.00062837|-0.00061774|-0.00108881|-0.00038633|0.00031270|0.00018314|0.00001316|0.00003549|-0.00010515|0.00009552|-0.00005286|0.00012753|-0.00014083|-0.00037973|-0.00047607|-0.00000447|0.00000794|-0.00016680|-0.00020110|-0.00020457|0.00034639|-0.00036353|0.00002435|-0.00131709|0.00042500|0.00008749|0.00202265|0.00991551|-0.02350753|0.06149134|-0.00003045|-0.00030421|0.00028287|0.00162226|-0.00019908|-0.00054594|0.00950504|-0.00551763|-0.02514000|-0.08820787|0.02391863|0.08226606|-0.02186246|0.00772522|0.02969969|0.00082057|-0.00623519|0.00201730|-0.00255647|0.00025293|0.00049428|0.00053288|0.00321645|0.00092366|0.00054713|-0.00059605|-0.00028028|-0.00018127|0.00007333|0.00001159|0.00010922|0.00009967|-0.00004419|-0.00030655|0.00057437|-0.00013743|0.00006571|0.00004991|-0.00002638|-0.00002955|0.00005080|-0.00007696|-0.00335938|-0.00038266|-0.00354185|-0.00103890|-0.00055528|-0.00091632|-0.00351168|0.00366441|0.01058418|0.10889511|-0.00019407|-0.00004330|0.00015890|0.00029296|0.00068248|-0.00029867|-0.00115947|0.00313625|0.00434914|0.03260409|-0.08706274|-0.08103150|-0.01801906|0.00642896|0.02396185|0.00170452|-0.00544480|0.00014822|-0.00167346|0.00081412|0.00109123|-0.00090445|0.00163494|0.00146872|0.00030053|-0.00004683|-0.00008111|0.00003163|-0.00007129|0.00009362|-0.00007566|-0.00009926|-0.00000139|0.00031953|-0.00031994|0.00030098|-0.00003443|-0.00005710|-0.00008813|-0.00005195|-0.00003716|0.00008699|0.00042724|-0.00030258|0.00074199|0.00011218|0.00020593|0.00038077|0.01259473|-0.00806661|-0.03343626|-0.02647692|0.08854943|-0.00047340|0.00007693|0.00058038|0.00184021|-0.00103941|0.00112906|0.00693048|-0.00786393|-0.02091661|0.08598393|-0.07335869|-0.29737253|0.00757123|-0.00113595|-0.00431892|-0.00161570|0.00252161|-0.00013082|0.00083029|-0.00005850|-0.00031251|0.00040366|-0.00273513|0.00141046|-0.00076004|0.00066909|0.00005072|-0.00002614|0.00004317|0.00007788|0.00030542|0.00008911|0.00007576|-0.00056126|-0.00007624|-0.00082516|0.00009797|0.00008882|0.00000749|-0.00013090|0.00010265|-0.00021191|-0.00297342|-0.00055662|-0.00226896|-0.00149079|0.00014673|-0.00189826|-0.00180393|-0.00021541|0.00627319|-0.09494711|0.08218704|0.31692719|0.00005778|-0.00008492|-0.00003088|-0.00010595|0.00010172|0.00004759|-0.00008911|0.00006421|-0.00008905|-0.00060672|0.00232125|0.00058261|0.00500460|0.02968223|0.01475509|-0.08195657|-0.04294157|-0.01334010|-0.00857128|-0.04373783|-0.00390813|-0.00471794|0.00017574|0.00227156|0.00063327|0.00078458|0.00077081|-0.00013103|-0.00015527|0.00029416|-0.00004554|0.00005314|-0.00014857|0.00007769|0.00001268|-0.00002223|-0.00001634|-0.00000722|-0.00000518|0.00002767|-0.00000007|-0.00000301|-0.00008671|0.00008344|-0.00003497|-0.00005698|-0.00005998|0.00001354|-0.00106138|0.00018129|0.00103769|0.00019805|-0.00013467|-0.00011029|0.08902956|-0.00005475|0.00013673|0.00004867|0.00009719|-0.00019218|-0.00002251|0.00041704|0.00055595|-0.00013995|-0.00218698|-0.00116463|0.00182769|-0.00288613|-0.02042776|-0.01059864|-0.03670365|-0.30869117|-0.08337695|-0.01511690|-0.01126267|-0.01384149|0.00323153|0.00237243|-0.00079578|-0.00031374|-0.00057405|-0.00082557|-0.00007884|0.00016271|-0.00033771|0.00003159|-0.00009693|0.00019596|-0.00011316|-0.00002983|0.00005636|0.00002993|0.00001900|0.00001883|-0.00003506|0.00000304|-0.00001387|0.00000719|-0.00022471|0.00006842|0.00020818|0.00007859|0.00003568|-0.00043772|0.00211359|0.00009525|-0.00009032|0.00084510|-0.00005320|0.05225292|0.33526595|-0.00002253|0.00005764|0.00000460|0.00000584|-0.00004555|-0.00009243|0.00011102|0.00026774|0.00002693|-0.00135714|-0.00279149|-0.00062495|0.00035717|-0.01725093|0.00010348|-0.00959535|-0.08143843|-0.09783476|0.00730475|-0.00462436|0.03010052|0.00508004|-0.00210471|0.00426679|-0.00049474|-0.00098534|-0.00108193|-0.00016379|0.00004709|-0.00009106|-0.00001528|-0.00003309|0.00002168|-0.00003974|-0.00001236|0.00002332|0.00001122|0.00000642|0.00000892|-0.00001154|-0.00000464|0.00001337|-0.00003528|0.00001094|-0.00006255|0.00003994|0.00005240|0.00003221|0.00038027|0.00090856|-0.00031325|0.00008977|0.00017972|-0.00000834|0.00221099|0.10255965|0.07326280|0.00001217|0.00001694|-0.00000998|-0.00003510|-0.00001371|-0.00005300|0.00001884|0.00002267|0.00005219|-0.00027727|0.00131991|0.00133343|-0.00285586|-0.00852836|0.00197494|-0.03672361|0.03659039|0.02451515|-0.22809095|0.14469904|0.11845633|-0.00003341|-0.00065636|-0.00019182|0.00018145|0.00011115|-0.00017293|-0.00011947|-0.00004735|-0.00002170|-0.00000310|-0.00001841|0.00000648|0.00001154|-0.00000362|0.00001447|-0.00000139|0.00000276|0.00000358|0.00000756|-0.00000882|0.00000518|-0.00000643|0.00005154|-0.00004910|-0.00004147|-0.00000044|0.00000327|-0.00005994|-0.00017598|0.00008612|-0.00043990|-0.00051134|0.00013940|0.00221324|0.00178658|-0.00351766|0.26609861|0.00001390|0.00001959|0.00001410|-0.00002507|-0.00002307|-0.00003659|-0.00015855|-0.00027848|0.00007896|-0.00053579|0.00064010|-0.00117216|-0.00433645|0.00217183|-0.00270805|-0.03447403|0.00322929|0.01375151|0.21280257|-0.21142880|-0.13861725|-0.00032541|-0.00095690|-0.00042726|0.00025062|0.00053797|-0.00024958|-0.00018830|-0.00000109|-0.00008775|0.00002230|-0.00006903|0.00005735|-0.00000547|0.00000176|0.00001117|0.00000261|0.00001400|0.00000100|0.00000842|-0.00000576|-0.00000344|0.00001682|-0.00000436|0.00000333|-0.00006717|-0.00001293|-0.00004151|0.00020787|-0.00017268|-0.00001496|0.00018370|0.00016484|-0.00002516|0.00074598|0.00188913|0.00483222|-0.17476636|0.20437501|0.00002202|0.00001988|-0.00002026|0.00001484|-0.00001110|0.00003560|0.00047931|0.00059732|-0.00024754|0.00056026|-0.00162930|0.00330027|0.00309174|-0.00208191|0.00974297|-0.00157561|-0.00886996|-0.00672645|0.14497068|-0.11756208|-0.12258062|0.00001269|0.00055413|0.00074037|0.00020320|0.00000018|-0.00022669|-0.00018575|-0.00008293|0.00000225|-0.00000502|0.00000701|0.00000509|-0.00000747|-0.00001106|0.00001589|0.00000484|-0.00000213|0.00001939|0.00000579|-0.00000492|-0.00001029|-0.00001342|0.00003055|-0.00007393|0.00012182|0.00003734|0.00009717|-0.00039457|0.00022141|0.00018453|-0.00045990|-0.00051206|0.00014584|-0.00394088|0.00472441|-0.00802291|-0.14277990|0.12415569|0.12321321|-0.00005919|0.00003262|0.00002831|0.00000294|-0.00006389|-0.00002769|-0.00019705|0.00006253|0.00018100|0.00103026|0.00049817|-0.00050538|0.00266583|-0.00767544|-0.00695051|-0.00100504|0.00085860|0.00090959|0.00011609|-0.00015616|0.00112159|-0.21110523|0.01339221|-0.16229206|-0.00483173|-0.00319929|-0.01389504|0.00773157|0.00434143|-0.00521525|0.00059305|-0.00040270|0.00109013|-0.00002495|-0.00018618|0.00009490|0.00000363|0.00000197|0.00000017|-0.00002487|0.00000260|-0.00001548|0.00008393|0.00002640|0.00010534|-0.00005368|-0.00002949|-0.00000932|-0.00013861|-0.00015026|0.00003094|-0.00048905|-0.00017732|0.00029272|0.00000154|-0.00013056|-0.00047311|0.00002381|0.00045494|-0.00031347|0.21078374|-0.00015196|0.00025788|0.00008251|0.00001671|-0.00044346|-0.00033658|-0.00089171|-0.00027304|0.00039468|0.00201305|0.00106967|-0.00393072|-0.02250060|-0.01468727|-0.03188315|-0.00795454|0.00117713|0.00184940|0.00272309|0.00157901|-0.00037946|0.00746942|-0.06320725|0.00223576|0.02389876|0.00079268|0.02419676|0.00324942|-0.00287512|-0.00301850|0.00035602|-0.00047322|0.00137100|-0.00007312|-0.00030513|0.00008376|0.00004378|0.00004207|0.00002420|-0.00006506|-0.00001064|0.00001994|0.00010895|-0.00006675|0.00018612|-0.00023684|-0.00000003|-0.00010731|-0.00012243|-0.00013314|-0.00000458|-0.00034279|0.00012688|0.00076399|0.00030715|-0.00049594|0.00067290|0.00015220|-0.00009621|0.00045689|-0.00745692|0.07714494|-0.00005489|0.00002231|0.00003792|0.00011455|-0.00010877|-0.00009691|-0.00055689|-0.00054357|0.00017836|0.00021442|0.00066297|-0.00315033|-0.00973062|-0.01092882|-0.00535133|-0.00521314|0.00008438|0.00204933|0.00186830|0.00143651|-0.00030235|-0.15857491|0.00361975|-0.21251270|-0.00859865|0.00087721|-0.00028383|-0.00781834|-0.00155866|0.00788089|-0.00059710|0.00060693|-0.00161677|-0.00006023|0.00038581|-0.00020434|-0.00000625|0.00000321|-0.00003372|-0.00002310|0.00000809|0.00004269|0.00005524|-0.00002958|0.00015086|-0.00021004|-0.00003868|-0.00007586|-0.00009173|-0.00013127|-0.00007135|-0.00010759|0.00006312|-0.00005824|0.00021339|-0.00010292|0.00010657|0.00019568|0.00032625|0.00044987|0.18254194|0.00487414|0.21544566|0.00004211|-0.00015177|-0.00002328|-0.00012097|0.00004525|0.00035919|-0.00000557|0.00009893|-0.00010438|-0.00098915|0.00167790|0.00029845|0.00767578|0.00597929|-0.00690763|0.00034062|-0.00144597|-0.00082024|-0.00078228|0.00006578|0.00012171|0.00734606|0.01431448|0.00860808|-0.07527176|-0.06923738|-0.05559202|-0.00710452|-0.01922083|-0.01439342|0.00062508|0.00233503|-0.00269975|0.00032854|-0.00078009|-0.00069907|-0.00004554|-0.00001192|-0.00005904|0.00000800|0.00000556|0.00000582|-0.00004031|0.00000826|0.00007152|0.00001525|-0.00006277|0.00005949|0.00052704|0.00045172|-0.00007783|0.00002060|0.00004094|0.00000494|0.00029446|-0.00010915|0.00008755|0.00006075|0.00003040|0.00011643|-0.00350007|-0.00096528|0.00527604|0.07190857|-0.00005854|0.00009796|0.00004124|0.00008303|-0.00010911|-0.00019198|-0.00000828|-0.00001075|0.00007980|0.00090830|0.00053066|-0.00023309|0.00634641|-0.00358919|-0.00037419|-0.00255842|-0.00131064|0.00071615|0.00094283|0.00053335|0.00000241|-0.01175553|-0.02160359|-0.01994478|-0.06109306|-0.25916472|-0.12441533|0.00177556|0.01070418|0.00321812|0.00125350|0.00008555|0.00062624|-0.00017196|0.00009772|0.00018105|0.00001778|0.00001510|0.00000970|-0.00003094|-0.00000200|0.00001169|0.00003293|-0.00001072|0.00002032|-0.00007199|0.00000358|-0.00002635|-0.00015434|-0.00014884|0.00001543|-0.00011442|0.00000481|0.00003824|0.00037413|-0.00030371|-0.00033942|-0.00002501|-0.00000159|-0.00003860|-0.00057780|0.00027970|0.00134308|0.06529334|0.27490619|0.00003210|-0.00020119|-0.00004351|-0.00001873|0.00024198|0.00041579|-0.00004609|-0.00001095|-0.00009837|-0.00011935|-0.00150803|-0.00018741|-0.00842424|-0.00089840|0.00675174|0.00062526|0.00191322|0.00061184|0.00037965|-0.00019443|-0.00008087|0.00126369|0.00823000|0.00737640|-0.05330507|-0.13153492|-0.14613001|-0.00882209|-0.02156503|-0.00629450|-0.00055502|0.00124517|-0.00351463|0.00023045|-0.00041741|-0.00064123|-0.00004577|-0.00003567|-0.00005733|0.00001591|0.00001656|0.00000749|-0.00004492|0.00007867|0.00006426|0.00004864|-0.00004659|0.00002292|-0.00024351|-0.00025820|0.00005863|0.00005517|-0.00004485|-0.00005514|-0.00048780|0.00034939|0.00012867|-0.00005006|-0.00001717|-0.00009619|0.00437740|0.00189577|-0.00327149|0.06599760|0.14069956|0.14352165|0.00005245|-0.00073391|-0.00029771|-0.00113474|0.00005017|0.00170922|-0.00015126|0.00000398|-0.00001806|-0.00069671|-0.00003250|0.00006957|0.00086326|0.00063875|-0.00023276|0.00049018|-0.00012481|-0.00020569|-0.00034212|-0.00002518|0.00028361|-0.00166095|-0.00163318|-0.00251015|0.00983007|0.01640506|-0.01924840|-0.09801992|-0.06525851|0.06881013|-0.01068591|-0.02394733|0.02825088|-0.00231348|-0.00432745|-0.00483006|-0.00015756|-0.00007337|-0.00023295|0.00004919|-0.00002121|0.00010873|0.00004421|0.00002971|0.00000868|0.00009859|-0.00007149|0.00000674|0.00015792|0.00011989|0.00003075|-0.00005195|-0.00002621|-0.00001432|-0.00005926|0.00009254|0.00002286|0.00003204|0.00008002|0.00003832|-0.00156910|0.00006620|0.00127337|0.00003811|-0.00079811|0.00051936|0.10552839|-0.00007378|0.00028053|0.00010887|0.00131854|0.00094227|-0.00160710|-0.00003667|-0.00009571|0.00002511|0.00016649|0.00009021|0.00000897|-0.00010012|-0.00079010|-0.00025583|-0.00055798|0.00004561|0.00030670|0.00029876|0.00015859|-0.00026087|-0.00003126|0.00270927|0.00040125|0.00063585|-0.00097216|0.00762155|-0.07208378|-0.15759476|0.13257566|-0.00318204|-0.00066492|0.01207049|-0.00542940|0.01071541|0.00348092|0.00011155|-0.00004837|0.00013953|0.00006972|0.00000417|-0.00005400|-0.00000110|-0.00010814|0.00001156|-0.00000339|-0.00005170|0.00000197|0.00000059|-0.00002623|-0.00001150|-0.00000797|0.00004322|-0.00002180|0.00001666|-0.00003496|0.00001709|0.00000166|-0.00001810|-0.00000099|0.00034516|-0.00009203|-0.00023256|0.00046362|-0.00031395|0.00124200|0.07651928|0.15352895|-0.00003127|0.00025899|0.00010119|0.00096828|0.00057787|-0.00108367|0.00001745|0.00001207|-0.00010463|-0.00045763|0.00004591|0.00009029|0.00053674|0.00047875|-0.00013926|0.00068974|-0.00014591|-0.00033853|-0.00046413|-0.00008644|0.00029999|-0.00154663|-0.00200757|-0.00332035|0.00784454|0.01851155|-0.01391888|0.07452155|0.13568337|-0.22446165|-0.00259260|-0.00002825|0.00663693|-0.00322966|0.00559023|0.00398775|0.00008202|-0.00000719|0.00009685|0.00004556|0.00000133|-0.00005775|0.00001492|-0.00003110|0.00001857|0.00004183|-0.00001545|0.00005066|0.00011648|0.00014037|0.00002973|-0.00004825|-0.00003135|0.00005091|-0.00005963|0.00009138|0.00002708|0.00003999|0.00010425|0.00003254|-0.00129749|0.00045865|0.00095785|-0.00063465|-0.00093442|0.00049559|-0.07538176|-0.15282594|0.23020864|-0.00015512|0.00004870|-0.00031081|0.00046492|0.00089213|0.00018344|0.00002977|0.00003449|-0.00004752|-0.00058018|-0.00022096|0.00025950|-0.00010074|0.00073705|0.00038155|0.00050750|-0.00007823|-0.00018142|-0.00023513|-0.00001321|0.00011261|0.00022864|-0.00073213|-0.00055151|-0.00194504|-0.00656712|0.00000133|-0.01641297|0.00966096|-0.03147749|-0.14911383|0.03508852|-0.12848917|0.01137973|-0.00591173|0.01505373|-0.00003718|-0.00001530|0.00002420|-0.00002653|0.00000872|0.00003397|-0.00012916|0.00007056|-0.00000305|0.00005733|-0.00002841|0.00002152|0.00010160|0.00006645|-0.00000939|0.00001632|-0.00002008|-0.00008034|-0.00005045|0.00009623|0.00002094|0.00001331|0.00004842|0.00001341|0.00007193|0.00029261|-0.00011508|-0.00131649|0.00039191|-0.00132540|-0.00032035|0.00263680|0.00165982|0.15749588|-0.00040490|-0.00017514|-0.00058355|0.00080736|0.00157248|-0.00005311|-0.00012647|-0.00009718|0.00016443|-0.00003630|0.00016050|0.00004365|-0.00019147|-0.00026632|0.00029751|0.00012515|0.00001723|0.00003793|-0.00004482|-0.00002187|-0.00000784|-0.00121442|-0.00070579|-0.00217245|-0.00534670|0.01078967|0.00629813|-0.00929960|0.00802792|-0.00838742|0.03741959|-0.07673164|0.07327659|0.01130533|-0.00054969|0.01622557|-0.00004654|-0.00006982|0.00003403|0.00002118|-0.00000219|0.00007781|0.00026791|-0.00014083|-0.00009080|0.00006431|-0.00004804|-0.00007929|0.00002489|0.00001058|-0.00002723|-0.00009330|0.00003460|-0.00010459|-0.00001991|0.00001287|0.00000097|0.00001170|0.00001900|0.00000661|0.00024860|0.00055233|-0.00062397|0.00144800|-0.00069700|0.00101423|0.00289091|-0.00590872|-0.00485241|-0.03446462|0.06489925|0.00025617|0.00062001|0.00054047|0.00022348|-0.00070387|-0.00056726|0.00009548|0.00017114|-0.00012279|0.00007173|-0.00001956|-0.00019446|-0.00025224|-0.00002840|0.00030087|0.00032954|-0.00007662|-0.00010338|-0.00018864|-0.00005555|0.00005661|-0.00050669|-0.00055167|-0.00109529|-0.00197870|0.00588595|0.00475099|0.00074711|0.00258185|0.00253731|-0.13302842|0.07118108|-0.26034791|-0.01357111|0.00552877|-0.01483969|0.00011415|0.00007447|0.00002101|0.00004070|0.00000113|-0.00007707|-0.00009457|0.00005340|0.00000903|-0.00003207|0.00005177|0.00003250|-0.00002649|0.00004377|0.00007896|0.00000917|-0.00003854|0.00016531|-0.00001622|0.00002309|0.00000042|0.00000676|0.00002643|0.00000292|0.00019593|0.00025977|-0.00035894|0.00078421|-0.00034427|0.00069254|0.00172204|-0.00448588|-0.00088582|0.14259943|-0.08257599|0.27104157|0.00079453|-0.00086950|-0.00030037|-0.00329723|-0.00316884|-0.00314432|-0.00012150|-0.00021416|-0.00004466|0.00003325|0.00086258|-0.00045701|-0.00001829|-0.00017354|0.00002117|-0.00021423|-0.00001396|0.00010131|0.00010774|0.00001575|-0.00004188|-0.00115216|0.00037805|-0.00003881|-0.00138636|-0.00078708|0.00074674|0.00009082|0.00015391|-0.00020855|0.01201561|0.00092928|0.01750021|-0.13532672|0.00271780|-0.12620381|0.00006434|-0.00053261|0.00064201|0.00010776|0.00014720|-0.00085871|0.00008249|-0.00000861|0.00000472|0.00004189|-0.00008445|-0.00006602|-0.00010441|-0.00007487|0.00017090|-0.00031418|0.00110754|0.00038542|0.00002966|-0.00003382|-0.00001450|-0.00000460|-0.00002192|-0.00000216|-0.00011416|-0.00002127|0.00008589|-0.00008042|0.00001057|0.00003305|0.00035365|0.00006052|-0.00032220|-0.00111424|-0.00272902|0.00231194|0.14538037|0.00133708|-0.00415638|-0.00077819|-0.02271008|0.00017066|-0.03281536|-0.00031031|0.00085521|0.00096053|0.00123435|-0.00078686|-0.00086278|-0.00016923|0.00001063|0.00017784|0.00015802|-0.00018269|-0.00007129|-0.00015455|-0.00004291|0.00001879|-0.00017066|0.00039398|0.00002175|-0.00059234|0.00004375|-0.00010918|0.00080180|0.00037359|-0.00072210|0.01241547|-0.00110012|0.02122027|0.00070405|-0.05776274|-0.00676046|-0.00044434|-0.00137677|0.00270729|-0.00039243|0.00049189|-0.00129830|-0.00003548|0.00012985|0.00010561|-0.00017713|0.00018741|0.00046591|-0.00013674|0.00009992|0.00018531|0.00111238|-0.00126940|0.00043961|0.00002118|-0.00001963|-0.00000832|-0.00001084|0.00000017|-0.00001212|-0.00006789|0.00001574|0.00002072|-0.00024794|-0.00005837|-0.00005495|0.00031111|-0.00013333|-0.00023621|-0.00290982|-0.00140021|0.00319718|0.00313807|0.06527845|0.00126597|-0.00105123|-0.00000496|-0.00657087|-0.00213281|-0.00726350|-0.00062453|-0.00017602|-0.00023906|0.00032432|0.00030592|-0.00103711|-0.00006954|0.00015161|0.00021596|0.00052113|-0.00017201|-0.00019980|-0.00037071|-0.00006409|0.00009015|0.00002261|-0.00086318|0.00067508|-0.00045642|0.00032358|0.00043738|-0.00110925|-0.00040250|0.00098388|-0.01510648|0.00209344|-0.02427282|-0.12161160|-0.00227382|-0.26682653|-0.00030232|-0.00024971|0.00027223|-0.00002858|0.00010576|-0.00009557|-0.00001428|0.00005294|0.00005651|0.00010508|-0.00004381|0.00014688|-0.00020406|0.00010928|0.00039997|-0.00028709|0.00041980|0.00108835|-0.00000358|0.00002599|0.00000869|0.00001470|0.00003652|0.00001750|-0.00003123|-0.00008478|0.00006205|0.00010314|-0.00010189|0.00018236|-0.00015547|0.00015099|0.00034609|0.00308789|0.00248213|-0.00241831|0.13840420|0.00017208|0.28871644|0.00042529|-0.00188147|-0.00056492|0.00402985|-0.00269831|-0.00137897|0.00062442|-0.00126811|-0.00056543|0.00008761|-0.00017375|-0.00007886|-0.00018043|0.00027771|0.00011661|0.00050816|-0.00018941|-0.00017225|-0.00031556|-0.00003046|0.00004736|-0.00008792|-0.00066902|0.00000557|-0.00048305|0.00092958|0.00059190|0.00079047|-0.00112316|0.00316091|-0.01686533|0.00480698|0.00169827|-0.28613892|0.10620886|0.04559010|0.00048956|-0.00005084|0.00011347|0.00071142|-0.00065352|-0.00048202|0.00000480|-0.00002828|-0.00002221|0.00024514|0.00000161|-0.00003244|-0.00003913|0.00008530|0.00008896|0.00004676|-0.00007682|0.00020196|-0.00001227|0.00003986|0.00001831|0.00001918|0.00003595|0.00002278|0.00000441|0.00008518|-0.00008027|0.00002609|-0.00001189|-0.00009022|-0.00037474|-0.00113774|-0.00051301|0.00117047|-0.00061686|0.00018729|-0.01585363|0.00729626|0.00309695|0.31116737|0.00111459|0.00126150|0.00013988|0.03574353|-0.01608575|-0.00677651|-0.00339041|-0.00611527|-0.00155499|-0.00124288|0.00003138|-0.00020769|0.00039014|0.00030267|0.00004926|-0.00012459|-0.00002677|0.00006805|0.00011623|0.00012336|-0.00001076|-0.00008356|-0.00046390|-0.00036973|-0.00002535|0.00056246|0.00059328|-0.00048898|-0.00181933|0.00275485|-0.02368530|0.01004043|0.00393603|0.10073927|-0.10253636|-0.01899445|-0.00008163|0.00061861|0.00015356|-0.00143592|-0.00015766|0.00008256|-0.00012130|0.00018417|-0.00012091|0.00176065|-0.00124124|-0.00085578|0.00006667|0.00005823|0.00003120|-0.00000599|0.00014945|0.00007763|-0.00003687|0.00006310|0.00002529|0.00000006|0.00000631|0.00000775|0.00000868|0.00012119|-0.00003567|-0.00002542|0.00006540|-0.00013876|-0.00013437|-0.00166505|-0.00075251|0.00088805|0.00071799|-0.00081947|-0.00078762|0.00023816|0.00118581|-0.10915767|0.11556691|0.00048851|0.00108368|-0.00024348|0.01178772|-0.00714293|-0.00316568|-0.00146745|-0.00244867|0.00049945|0.00028070|0.00017671|-0.00042729|0.00011745|-0.00009739|0.00011862|0.00001855|-0.00002023|-0.00002171|-0.00005667|-0.00002486|0.00002281|-0.00008034|-0.00038422|0.00040880|-0.00086020|0.00001552|-0.00045602|0.00040764|0.00248248|-0.00356284|0.02635381|-0.01110295|-0.00319437|0.04315929|-0.01927783|-0.07061838|-0.00002177|0.00030943|-0.00013090|-0.00044720|-0.00006678|0.00058262|-0.00023230|0.00037505|0.00014894|0.00061605|-0.00047248|-0.00009541|-0.00011065|0.00005231|0.00019219|0.00012554|-0.00006823|0.00039487|0.00000308|-0.00001217|-0.00000387|-0.00000152|0.00000212|-0.00000053|0.00005607|-0.00008115|0.00002611|0.00011714|-0.00005869|0.00014078|0.00027308|0.00159380|0.00087987|-0.00086214|-0.00040094|0.00078041|-0.02870455|0.01403636|0.00865815|-0.05095984|0.02153206|0.06906686| 162.11570 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 44.2062 82.2916 125.3360 157.3061 205.2209 228.2569 257.6792 291.1408 358.9013 382.7382 421.6848 452.1751 496.9332 542.7117 621.9337 659.0214 677.2888 762.9318 781.6909 832.4492 855.7357 878.1442 879.9382 940.6058 990.7856 1022.5786 1047.7099 1054.6378 1087.6168 1094.7771 1107.5068 1124.4163 1135.7160 1162.5466 1190.8370 1248.6210 1310.2655 1318.0948 1351.6597 1372.8714 1386.7410 1414.0850 1434.7819 1460.3610 1493.2894 1530.6177 1547.9796 1551.6336 1582.9621 1587.8401 1598.2802 1627.3251 1632.6978 1654.8374 1868.9412 1876.5340 1884.4725 1905.8905 3216.8431 3218.0451 3232.8493 3255.2774 3262.7378 3275.0769 3285.8692 3312.9014 3321.6213 3327.0736 3341.5332 3356.1749 3399.9497 3769.7123 4.3827 3.4107 3.1209 3.7431 3.5747 2.9693 3.3005 2.9768 3.5091 2.2431 2.6423 2.6051 1.9262 2.1873 3.3152 3.1994 2.6687 2.3333 1.2865 2.2983 1.8904 1.4289 1.9921 2.1784 2.0964 2.1679 1.9358 1.4101 2.3684 1.6600 1.5111 2.3921 1.3706 2.1602 1.3375 1.5355 1.4925 1.3951 1.3700 1.1898 1.2064 1.4531 1.5740 1.4351 1.4964 1.2710 1.3327 1.5881 1.5362 1.8495 1.1985 1.1026 1.1124 1.1006 5.7213 5.1191 5.5684 8.0141 1.0657 1.0613 1.0664 1.1032 1.1027 1.0887 1.1011 1.0845 1.0855 1.0627 1.0961 1.0959 1.1165 1.0770 0.0050 0.0136 0.0289 0.0546 0.0887 0.0911 0.1291 0.1487 0.2663 0.1936 0.2768 0.3138 0.2802 0.3796 0.7555 0.8187 0.7213 0.8002 0.4632 0.9384 0.8156 0.6492 0.9088 1.1355 1.2125 1.3356 1.2520 0.9240 1.6507 1.1722 1.0920 1.7819 1.0416 1.7201 1.1175 1.4105 1.5097 1.4281 1.4747 1.3212 1.3669 1.7119 1.9091 1.8033 1.9660 1.7544 1.8815 2.2527 2.2680 2.7474 1.8038 1.7204 1.7471 1.7758 11.7743 10.6208 11.6509 17.1515 6.4976 6.4756 6.5668 6.8878 6.9162 6.8802 7.0047 7.0129 7.0561 6.9310 7.2109 7.2730 7.6045 9.0172 0.0824 1.5227 1.5318 0.8752 0.3871 14.3186 21.6042 8.7371 18.1473 2.5580 7.1174 7.9980 2.4560 14.2412 7.3519 4.8791 3.3992 30.2832 6.1476 12.8218 33.8463 30.9001 49.0662 56.1294 1.9512 12.7464 14.7571 39.9339 7.5927 16.9323 12.7772 19.6177 0.4732 9.3953 13.3532 73.8683 65.7461 35.9423 26.3480 14.7431 3.8770 28.4318 6.8423 11.1482 8.6553 3.2050 62.7865 73.7878 25.9575 41.2931 0.4386 8.3027 10.2382 10.5910 205.3299 43.8278 239.4930 17.7449 27.8184 20.2343 17.9916 25.9478 30.4550 45.4725 53.1988 3.0221 11.2600 19.1658 46.9602 33.4288 23.1274 1.0001 2.6569 1.8679 2.4751 1.6341 4.6609 4.4301 2.0089 2.4960 4.9144 2.7090 5.8393 3.3518 1.4008 3.9400 7.8736 4.3827 6.3971 7.0309 6.6650 2.5917 5.4139 3.3222 10.9184 8.3667 10.6187 1.2789 1.2059 1.5074 0.7668 5.5011 9.4639 6.7424 6.1091 6.6718 1.9080 6.4638 8.6164 1.2968 5.0556 3.5790 45.3170 9.6864 1.7074 3.8748 6.3230 0.7466 0.7315 12.1143 7.3632 7.4043 32.1504 1.3199 12.1899 13.8940 19.1056 67.1639 14.1760 146.3749 26.9639 72.9523 116.6920 48.6719 36.9338 73.3414 59.7722 61.9287 95.9023 106.6231 144.1431 172.9421 85.7997 229.0028 0.6817 0.7005 0.7437 0.7499 0.7485 0.6532 0.5554 0.6836 0.2666 0.7307 0.7457 0.3880 0.6876 0.7278 0.7498 0.6794 0.3214 0.2963 0.2172 0.5886 0.3580 0.7486 0.6121 0.2183 0.2129 0.6857 0.6980 0.7480 0.1925 0.4695 0.4049 0.4848 0.3678 0.7247 0.7499 0.7198 0.7157 0.5035 0.4990 0.4874 0.6141 0.5644 0.7497 0.5978 0.7163 0.6203 0.7365 0.7002 0.3944 0.1855 0.4704 0.6091 0.6729 0.6604 0.7399 0.3238 0.7310 0.1261 0.6956 0.1435 0.0728 0.7435 0.7458 0.2256 0.7287 0.7220 0.5228 0.1285 0.1892 0.1837 0.7489 0.3221 0.8107 0.8239 0.8530 0.8571 0.8562 0.7902 0.7142 0.8121 0.4210 0.8444 0.8544 0.5591 0.8149 0.8424 0.8570 0.8091 0.4864 0.4571 0.3569 0.7410 0.5273 0.8563 0.7593 0.3583 0.3510 0.8135 0.8221 0.8558 0.3229 0.6390 0.5764 0.6530 0.5378 0.8404 0.8571 0.8371 0.8343 0.6698 0.6657 0.6553 0.7610 0.7216 0.8570 0.7483 0.8347 0.7657 0.8482 0.8237 0.5657 0.3129 0.6398 0.7570 0.8044 0.7955 0.8505 0.4892 0.8446 0.2239 0.8205 0.2510 0.1358 0.8529 0.8544 0.3681 0.8431 0.8386 0.6867 0.2278 0.3181 0.3104 0.8565 0.4873 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 6 6 6 6 7 6 7 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 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 1174.94119 2553.12826 3362.83167 1.00000 -0.00250 0.00006 0.00250 0.99998 0.00629 -0.00008 -0.00629 0.99998 1 0.07372 0.03392 0.02576 1.53603 0.70687 0.53667 63.60 118.40 180.33 226.33 295.27 328.41 370.74 418.89 516.38 550.67 606.71 650.58 714.98 780.84 894.82 948.18 974.47 1097.69 1124.68 1197.71 1231.21 1263.45 1266.03 1353.32 1425.52 1471.26 1507.42 1517.39 1564.84 1575.14 1593.46 1617.78 1634.04 1672.65 1713.35 1796.49 1885.18 1896.44 1944.74 1975.26 1995.21 2034.55 2064.33 2101.13 2148.51 2202.22 2227.20 2232.45 2277.53 2284.55 2299.57 2341.36 2349.09 2380.94 2688.99 2699.91 2711.34 2742.15 4628.32 4630.05 4651.35 4683.62 4694.35 4712.11 4727.63 4766.53 4779.07 4786.92 4807.72 4828.79 4891.77 5423.78 0.241877 0.252550 0.253495 0.205091 -495.398776 -495.388104 -495.387159 -495.435563 1.623478D-04 MUNgauss RevisionA2.1 retrievium 24-Nov-2022 GDB_13 Smiles: C=C1CCN(C=N)C=CC=CC1 RHF 6-31G(d) (6D,10F) C1 162.115699 |X|Y|Z| 37.160007 25.043416 13.210714 23.079791 9 6 7 8 1 |36.858105| |14.413510|36.858105| |7.696084|12.582219|36.858105| |5.230642|7.380386|12.308857|36.858105| |3.984902|5.372899|7.494163|13.044286|53.358707| |3.264733|4.078985|5.591118|7.824999|18.946625|36.858105| |2.730752|3.309730|4.160403|5.281570|11.207833|15.148874|53.358707| |3.555239|4.687000|5.416349|7.590883|18.256820|8.022392|9.549389|36.858105| |3.589850|4.739154|4.923056|5.754515|10.612366|5.523627|7.035868|14.429306|36.858105| |4.044843|5.446171|5.306892|5.210450|8.437886|4.685708|5.829256|7.556406|12.854177|36.858105| |5.315526|7.550893|6.217595|5.304170|7.333452|4.085495|4.879306|5.722285|7.579410|14.414410|36.858105| |7.687470|12.559754|7.368710|6.112762|7.175137|3.883779|4.487460|5.333551|6.130315|7.551493|12.639424|36.858105| |17.701200|9.074060|7.038622|4.856817|5.006353|3.140388|3.566724|3.188826|3.127623|3.437660|4.249466|5.484333|0.500000| |17.702587|9.076908|5.489477|4.193126|4.616961|2.819957|3.302191|3.173584|3.298582|3.735092|4.923556|7.035151|0.289440|0.500000| |6.094150|8.912907|17.563611|8.875887|10.194086|5.962818|6.113376|5.424145|5.111820|5.932916|6.742873|6.562813|0.156776|0.130523|0.500000| |7.480579|8.981406|17.560068|8.820244|7.829196|4.868741|5.042384|4.277265|3.866984|4.092982|4.684389|5.468645|0.228225|0.146087|0.303701|0.500000| |4.547610|5.682492|8.851748|17.575224|12.543748|7.637794|6.998189|5.818856|4.467765|4.059317|4.099359|4.623046|0.125611|0.102608|0.191654|0.235011|0.500000| |5.296693|7.280645|8.739073|17.607183|12.508670|5.923631|6.088658|7.391537|5.794789|5.000677|5.176381|6.600305|0.131766|0.122038|0.178367|0.189116|0.306331|0.500000| |3.311626|4.019745|5.770330|7.571028|12.664121|17.583369|12.545893|5.743394|4.357999|3.959590|3.668301|3.600830|0.091409|0.078339|0.168393|0.151050|0.242239|0.153706|0.500000| |2.490382|2.936944|3.668473|4.441903|8.233056|10.220956|25.878921|5.137958|4.075542|3.558422|3.082453|2.865495|0.067537|0.061687|0.109966|0.094426|0.126455|0.105362|0.239005|0.500000| |3.059979|3.830667|4.328791|6.033995|12.287076|7.055435|9.444790|17.692047|9.199833|5.490320|4.395565|4.261405|0.077676|0.077202|0.117858|0.100712|0.143022|0.172945|0.144226|0.143537|0.500000| |3.098140|3.879796|3.888340|4.471798|7.678465|4.447977|6.026750|9.340230|17.659499|8.748478|5.899140|5.004095|0.075636|0.081400|0.110310|0.088826|0.102211|0.129906|0.100349|0.100118|0.228110|0.500000| |3.434385|4.344007|4.342561|4.206616|6.897118|4.235371|5.563750|5.935269|8.803825|17.654214|9.228738|5.476808|0.083428|0.089413|0.139492|0.097940|0.096044|0.110101|0.100463|0.096375|0.129799|0.202845|0.500000| |5.071599|6.449239|5.314455|4.314742|5.889693|3.524467|4.294622|4.416596|5.502942|9.232747|17.665324|8.654883|0.114814|0.134800|0.166892|0.118772|0.097686|0.114766|0.090497|0.077413|0.099110|0.128530|0.225897|0.500000| |6.086962|8.905920|6.572256|6.644026|7.862018|4.085960|4.730573|6.304217|7.080025|7.172796|8.961557|17.561406|0.130400|0.156543|0.156612|0.138419|0.136957|0.227423|0.102715|0.082677|0.140978|0.162106|0.142374|0.173127|0.500000| |7.435679|8.934010|5.459161|4.618057|5.528789|3.180464|3.786288|4.185364|4.827472|5.840122|8.951734|17.550045|0.145467|0.226821|0.138100|0.124540|0.104134|0.140080|0.083189|0.068479|0.098106|0.118374|0.128806|0.214193|0.303762|0.500000| 495.185676 -2533.875058 924.117700 -70.210133 -1184.781815 689.141162 -495.640653 2.000919 4010000000000005 419C92DA03FFFFFE 4134C7E45FFFFFFF 40D0D47FFFFFFFFE 4000000000000000 41616BEA20000000