Version2.5 2022-11-02T17:06:37Z 10.1021/ja902302h Gaussian16 RevisionB.01 DOC1ROB 21-Oct-2022 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) GDB_13 Smiles: CC1CCN1N1C=CC(=N)N1C RHF 6-31G(d) (6D,7F) CC1CCN1N1C=CC(=N)N1C C1[X(C8H14N4)] 72 C1 208 CC1CCN1N1C=CC(=N)N1C Cn1c(=N)ccn1N1CCC1C CC1CCN1N2C=CC(=N)N2C InChIKey=IBXJKXLUPZGXQZ-UHFFFAOYSA-N InChI=1S/C8H14N4/c1-7-3-5-11(7)12-6-4-8(9)10(12)2/h4,6-7,9H,3,5H2,1-2H3 InChI=1/C8H14N4/c1-7-3-5-11(7)12-6-4-8(9)10(12)2/h4,6-7,9H,3,5H2,1-2H3 CC1CCN1N1C=CC(=N)N1C C01[X(C8H14N4)] 72 C1 208 CC1CCN1N1C=CC(=N)N1C CN1[C@H](N)CC[N@]1[N@]1CC[C@@H]1C C[C@H]1CCN1N2CC[C@@H](N)N2C InChIKey=JOJWWKFRPLBUPH-YUMQZZPRSA-N InChI=1S/C8H18N4/c1-7-3-5-11(7)12-6-4-8(9)10(12)2/h7-8H,3-6,9H2,1-2H3/t7-,8-/m0/s1 InChI=1/C8H18N4/c1-7-3-5-11(7)12-6-4-8(9)10(12)2/h7-8H,3-6,9H2,1-2H3/t7-,8-/m0/s1 5.282597029181D+02 -2.729659981536D+03 747.5919987611 -528.7610511 1-A 2083.9794 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| -15.63678 -15.59398 -15.58748 -15.50336 -11.30124 -11.28655 -11.26406 -11.25996 -11.23470 -11.23174 -11.23060 -11.21131 -1.39361 -1.27170 -1.18445 -1.11905 -1.06620 -1.00369 -0.93936 -0.92780 -0.87527 -0.82744 -0.76579 -0.75661 -0.73053 -0.66934 -0.65243 -0.63528 -0.62171 -0.61272 -0.59959 -0.58396 -0.58261 -0.54838 -0.53253 -0.52951 -0.51937 -0.50204 -0.49625 -0.45873 -0.44028 -0.40451 -0.38709 -0.37487 -0.29847 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.13975 0.22216 0.25070 0.25534 0.26148 0.26931 0.27999 0.28842 0.30282 0.31169 0.31536 0.32026 0.33305 0.33578 0.34490 0.35537 0.35669 0.37439 0.39028 0.39972 0.41747 0.43521 0.44564 0.46802 0.51447 0.52157 0.57559 0.62098 0.64399 0.70165 0.71535 0.73513 0.73806 0.74513 0.75845 0.77109 0.77971 0.79811 0.80972 0.82990 0.83257 0.85103 0.86455 0.87431 0.88807 0.90547 0.92661 0.97124 0.98767 1.00386 1.00737 1.03246 1.04454 1.06264 1.07408 1.08852 1.10354 1.10771 1.12361 1.12884 1.13738 1.14629 1.15988 1.17181 1.18009 1.18848 1.20440 1.21591 1.22049 1.22412 1.23053 1.23988 1.25598 1.26295 1.27281 1.31006 1.32666 1.35794 1.37253 1.40264 1.45746 1.47574 1.50936 1.55340 1.60797 1.63688 1.66609 1.67523 1.70524 1.76498 1.78114 1.81160 1.87206 1.91039 1.92033 1.95864 1.97680 2.02754 2.05376 2.06835 2.08773 2.09336 2.12390 2.15028 2.17170 2.21476 2.24138 2.25663 2.30016 2.30368 2.34590 2.35032 2.35970 2.38370 2.39649 2.42758 2.45146 2.46205 2.47856 2.51478 2.53127 2.53907 2.56659 2.60411 2.64599 2.65022 2.67453 2.68298 2.71763 2.73878 2.75136 2.77766 2.80509 2.82536 2.83453 2.88096 2.91073 2.93650 3.00012 3.03105 3.04350 3.07819 3.10839 3.14203 3.19053 3.23852 3.29577 3.35687 3.46035 3.52544 3.56509 4.35815 4.44650 4.52020 4.55986 4.60816 4.68076 4.68967 4.74889 4.81586 4.90287 4.95146 5.14141 11.92448 -3.5414 -2.9943 -0.1425 4.6398 |XX|YY|ZZ|XY|XZ|YZ| -76.4655 -68.0123 -73.2051 -5.3891 0.3465 -3.0389 |XX|YY|ZZ|XY|XZ|YZ| -3.9046 4.5487 -0.6441 -5.3891 0.3465 -3.0389 |XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| -33.5579 -6.1019 -3.5821 0.8502 -26.9410 1.7651 -1.8657 1.6003 -2.4426 -9.2523 |XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY| -1903.1173 -472.0366 -460.5972 -99.6018 28.4044 -1.0586 -11.1911 4.7227 -6.3391 -385.9451 -376.2477 -163.7567 -28.8195 4.5145 -2.0565 0 |0.64789925|0.00660493|0.65222249|0.01295541|-0.02577537|0.57189215|-0.10300682|-0.00001430|0.01456129|0.47381697|-0.00174182|-0.10049435|-0.02983439|0.03857537|0.67923506|0.00904086|-0.02255367|-0.24083415|-0.02970847|-0.00116075|0.64735656|0.00854867|0.00272457|0.00019134|-0.12393588|-0.04541135|-0.02958513|0.69504052|-0.00164723|-0.00349817|-0.00325326|-0.06768390|-0.12248629|-0.01947840|0.00071044|0.52176910|-0.02610170|-0.01597602|-0.01025713|-0.04327095|-0.01440048|-0.11359221|0.02813595|-0.14234910|0.59732033|-0.00472897|0.00172931|-0.00014187|0.00853832|0.00855860|0.00238677|-0.14928581|0.06102726|0.05670077|0.46312090|-0.00068101|-0.00498967|-0.00012859|0.00986833|-0.05635157|-0.06858227|0.03975961|-0.11282719|-0.01041861|0.00316218|0.73186906|-0.00050163|-0.00277619|-0.00070098|0.00151577|-0.03509207|-0.03055194|0.03901365|-0.00524128|-0.10422307|-0.05063279|0.01481652|0.65219210|-0.00033584|0.00438155|0.00323620|-0.13472410|0.05430676|-0.00061326|-0.10513040|0.01268095|-0.02901749|-0.12534226|-0.02114149|-0.06580555|0.70578223|0.00923761|-0.00863615|-0.00449268|0.05864215|-0.18207354|0.00394053|-0.00054742|0.00010559|-0.00752988|-0.06090418|-0.10855499|-0.09303947|0.03536877|0.44186238|0.02862321|-0.02541337|-0.00065562|0.04196596|-0.04166213|-0.07660600|-0.00698867|-0.00726371|0.00236158|-0.05236785|-0.04404332|-0.18612384|0.03417963|0.14512230|0.40158974|-0.00140007|0.00082475|-0.00069337|-0.02907776|-0.01504227|0.00956772|-0.00985658|0.00399139|-0.00360973|-0.02843664|-0.01173071|0.01004108|-0.27622782|0.00088311|0.03079477|0.64118554|-0.00070816|0.00024387|0.00030766|0.02009778|0.01367578|-0.00254515|0.00466710|0.00090831|-0.00107532|-0.00400666|-0.00346373|0.02029624|-0.08089627|-0.08189202|0.01720087|0.16855675|0.42069179|0.00378543|-0.00125952|0.00099907|0.00207761|0.01571675|-0.00712733|-0.00618897|-0.00229781|-0.00120334|-0.02932389|0.00297495|0.00805261|0.05928788|-0.01892560|-0.12082142|0.06711234|-0.16573942|0.53301244|0.00017480|0.00028570|0.00013300|0.00066358|-0.00178934|0.00225974|0.00129891|-0.00029581|0.00004120|0.00084195|-0.00099388|0.00451217|-0.02614749|-0.04934913|0.02209179|-0.12866637|-0.02380241|0.00668842|0.74914980|0.00174765|-0.00130328|0.00066076|0.00029588|0.01193805|-0.00288924|0.00198442|-0.00097666|0.00079470|-0.00307062|-0.00353150|-0.00197109|-0.01124748|-0.02465394|-0.01059811|-0.04075641|-0.19660569|0.14895688|0.21808424|0.50536224|-0.00023034|0.00092511|-0.00061512|0.00164947|-0.00357078|-0.00151089|-0.00108700|0.00084792|-0.00045707|0.00065294|-0.00003708|0.00595435|0.00850420|0.00725754|0.00179713|-0.00814285|0.07094024|-0.15945147|0.35131335|-0.13317823|0.69936664|-0.00054074|0.00026152|-0.00014097|0.00110788|-0.00145283|-0.00085165|-0.00033241|0.00031826|-0.00025476|0.00096804|0.00075884|0.00119711|0.00253928|0.00558074|0.00260813|-0.01654687|-0.06016524|0.00342024|-0.41416230|-0.18740776|-0.16635587|0.68252287|-0.00048745|0.00042816|-0.00026347|0.00098759|-0.00316428|0.00032697|-0.00032445|0.00049716|-0.00054929|0.00096972|0.00061361|0.00215569|0.00058962|-0.00092298|0.00371264|-0.04669822|-0.04418992|0.00549140|-0.19220291|-0.21112118|-0.05654632|0.38687043|0.66377829|-0.00049769|0.00002874|-0.00011101|-0.00006507|-0.00148124|0.00007824|-0.00038810|0.00017965|-0.00009960|0.00049749|0.00067126|-0.00137753|0.00426500|0.01113747|0.00137293|0.00517738|-0.01182534|0.01194618|-0.16685334|-0.04983946|-0.19389451|0.17175728|-0.16838919|0.50612283|-0.00007709|-0.00090576|-0.00031030|-0.00152454|0.00173198|-0.00052843|0.00010258|-0.00024854|0.00002623|-0.00178056|-0.00146703|-0.00124719|-0.00115449|-0.00618250|-0.00417601|-0.04023256|-0.00249785|0.01234850|-0.01597433|0.01541389|-0.04493253|-0.12064583|-0.00903362|-0.02517467|0.82566131|-0.00008318|-0.00065431|-0.00026158|-0.00085895|0.00255837|-0.00127320|0.00046441|-0.00001797|0.00041029|0.00037918|-0.00158073|-0.00104792|0.00822209|0.00388067|0.00829844|-0.02114491|-0.02917629|-0.01059610|0.01653575|0.04557856|-0.01364618|-0.00310424|-0.15612275|0.07882898|0.17245203|0.49939990|0.00073403|0.00022374|0.00020942|-0.00093137|0.00077181|0.00111483|-0.00032535|-0.00021716|-0.00033885|-0.00233796|-0.00016467|0.00091423|-0.00176118|-0.00746341|-0.01166613|-0.02671251|0.00054074|-0.01295124|-0.04935397|-0.02947788|-0.01694837|-0.02264590|0.07378641|-0.19101193|0.36819028|-0.12224112|0.66939858|-0.00018811|0.00046488|0.00000863|0.00100634|-0.00177474|-0.00027889|-0.00049290|0.00021018|-0.00022843|0.00070588|0.00177107|0.00142987|-0.00152374|0.00303792|-0.00166684|-0.00115994|-0.01449748|-0.00407494|0.00469776|0.00392050|0.00140603|-0.00726636|-0.00383983|-0.02982883|-0.45671671|-0.02702392|-0.30784099|0.71925561|-0.00010995|0.00011682|0.00004467|0.00032360|-0.00084985|0.00025956|-0.00024671|0.00001073|-0.00015038|-0.00031476|0.00040518|0.00055255|-0.00140710|-0.00121950|-0.00342455|-0.00293414|0.00205331|0.00165380|-0.00287791|-0.00838236|0.00840317|0.01303136|0.02483012|0.01860752|-0.07322598|-0.11908952|-0.01199541|0.28355995|0.38960436|-0.00047790|0.00012874|-0.00008661|0.00095383|-0.00117890|-0.00077526|-0.00026847|0.00015356|0.00001655|0.00097925|0.00106595|0.00044564|0.00062901|0.00362586|0.00276781|-0.00047115|-0.01310531|-0.00166290|0.00779053|0.02046829|-0.00577839|-0.05369035|0.00387089|-0.01833679|-0.25379080|0.02340023|-0.31645253|0.25638174|-0.10882685|0.39843637|0.00048063|0.00187735|0.00116944|0.00149004|-0.00051502|-0.00028305|-0.00160566|-0.00019354|-0.00076058|-0.00138666|0.00609526|0.00309230|-0.04145312|-0.01439848|-0.04267531|-0.12267746|-0.02438670|-0.10333924|-0.00152624|-0.00628937|-0.00689858|0.01252496|-0.00652893|0.00855888|-0.17589639|-0.08586258|0.01729063|-0.06648076|-0.03805201|-0.01456442|0.49988485|-0.00043705|-0.00009682|-0.00038571|0.00014288|-0.00203832|0.00138912|-0.00128173|-0.00019254|-0.00068869|-0.00354945|0.00239255|0.00213897|-0.00563180|-0.00535620|-0.02101919|-0.04999087|-0.10306385|-0.00500174|0.01212870|-0.02576921|0.05325027|-0.01410166|-0.02729877|0.03035271|-0.09859388|-0.20347717|0.07562846|-0.02886891|-0.00178406|-0.01793478|0.14478011|0.67384461|-0.00063346|-0.00094961|-0.00023214|-0.00201248|0.00315141|0.00063427|0.00070583|-0.00028074|0.00098267|0.00274436|0.00108381|-0.00141900|-0.00700708|-0.00185506|0.01518902|-0.06308460|0.04456852|-0.22835938|-0.01833949|0.00435346|-0.05249471|0.01508629|0.02471481|-0.00872536|-0.05190731|0.02862612|-0.12166937|-0.00540738|-0.02627765|0.02616615|0.19550920|-0.18703544|0.46980952|0.00003048|0.00008147|-0.00016020|-0.00079323|0.00037751|-0.00029313|-0.00014722|0.00004775|0.00002955|-0.00037506|-0.00020265|-0.00051914|-0.00029417|0.00057370|0.00049065|-0.00620222|0.02482664|-0.01276217|-0.00370126|-0.00125136|-0.00270015|-0.00491588|-0.00643746|0.00140476|0.01061718|-0.02672792|0.01940620|-0.00027210|-0.00091731|0.00037645|-0.10770370|0.03123948|-0.04281661|0.68516343|0.00028601|0.00063177|-0.00010707|0.00006124|-0.00097989|0.00009249|-0.00052401|0.00004888|-0.00013468|0.00012352|0.00213605|0.00010583|-0.00056006|-0.00162779|0.00053447|0.00749412|0.01330096|-0.00367099|-0.00591795|-0.00302034|-0.00393501|0.00018997|0.00058538|0.00050479|-0.00238389|-0.03006475|0.00267135|0.00719441|0.00098199|0.00484236|0.01836567|-0.24731998|0.07472155|0.04685793|0.59127358|-0.00011419|-0.00023518|-0.00004196|0.00023947|-0.00041084|-0.00021846|0.00008070|0.00004500|-0.00004133|0.00033726|-0.00033529|0.00056678|-0.00035930|0.00185461|-0.00014973|-0.00924239|0.03353455|-0.02311924|-0.00466418|0.00042461|-0.00315398|-0.00066409|0.00259332|0.00130717|0.02453574|0.01839862|-0.00026520|-0.00820468|-0.00002153|-0.00676300|-0.03831355|0.02294904|-0.09852244|0.01345647|0.04054671|0.66504073|-0.23063334|0.13505338|0.02405053|-0.00309203|0.00133529|-0.00208435|0.00032043|0.00016440|0.00062039|-0.00018237|0.00006249|0.00022449|0.00174921|-0.00054643|0.00057904|0.00025242|-0.00026822|-0.00029282|0.00005066|0.00018471|-0.00015590|-0.00008030|0.00000365|-0.00001258|0.00073289|0.00036191|-0.00003408|-0.00036567|-0.00006406|-0.00017706|-0.00101735|0.00016462|0.00046654|0.00010579|-0.00022950|0.00003953|0.24719017|0.13494432|-0.16577863|-0.01821265|0.00596098|-0.00582287|0.00208863|-0.00028058|0.00024962|0.00027635|0.00065427|0.00014561|0.00012300|0.00055973|0.00027581|-0.00257288|-0.00007367|0.00006004|-0.00084104|0.00000867|-0.00043260|0.00007266|0.00010822|0.00012535|0.00009077|-0.00013333|-0.00008724|-0.00015258|0.00015428|0.00003596|0.00013545|-0.00010690|0.00025997|0.00007084|-0.00011730|-0.00004609|0.00007726|-0.15176433|0.17467134|0.02249771|-0.01682964|-0.06453769|0.03184190|-0.02341196|0.00245974|-0.00094401|0.00016881|0.00146682|0.00156304|-0.00054449|0.00007428|-0.00066964|-0.00190658|-0.00724095|0.00067711|0.00010902|-0.00135884|-0.00012634|-0.00084603|0.00038973|0.00026956|0.00022463|0.00020418|-0.00006736|0.00008817|-0.00030289|0.00017754|0.00000111|0.00023958|-0.00026609|0.00026285|0.00030029|0.00010975|0.00009372|-0.00005624|-0.02613270|0.02107275|0.06330583|-0.25408043|-0.11046010|-0.08301193|0.00651834|0.00407363|0.00367818|0.00095910|0.00051220|0.00182255|0.00024668|-0.00003608|-0.00018994|0.00049068|-0.00049890|-0.00130169|0.00032000|-0.00013290|-0.00031619|-0.00006117|-0.00025239|0.00009426|0.00004623|0.00003429|0.00005951|-0.00021831|0.00010027|0.00008362|0.00006595|0.00000933|0.00007359|-0.00094044|0.00046662|0.00023256|-0.00001281|0.00001086|-0.00000311|-0.02240615|-0.01376560|-0.00956667|0.27181984|-0.10911834|-0.12044231|-0.04539595|-0.00743368|-0.00455704|-0.00214425|0.00004673|0.00107568|-0.00156408|-0.00037078|-0.00017457|-0.00002182|0.00042250|-0.00012046|0.00060791|0.00001845|-0.00001979|-0.00072172|0.00017666|-0.00002838|-0.00007377|-0.00000752|-0.00000876|0.00003152|0.00092533|0.00063736|-0.00024980|-0.00032763|-0.00012206|-0.00007560|-0.00107770|0.00026085|0.00084445|0.00017948|-0.00036552|0.00002658|0.01982910|0.01343978|0.00978786|0.12121403|0.12289220|-0.08043236|-0.04503597|-0.09450499|-0.03611784|-0.01837532|-0.01167977|0.00338676|0.00065881|-0.00560266|-0.00126103|-0.00106419|-0.00031484|0.00127713|0.00009250|0.00177837|0.00030969|0.00005875|-0.00039878|-0.00022985|-0.00037314|-0.00019710|0.00005936|0.00036470|0.00024732|0.00082015|0.00006003|0.00001554|-0.00020350|0.00000258|-0.00017060|-0.00046899|0.00031682|0.00022178|0.00003788|-0.00021769|0.00021922|0.00393552|0.00347313|0.00152051|0.08997092|0.05126439|0.09913380|-0.06665122|-0.03790772|0.02434705|-0.00138071|-0.00382094|0.00264889|0.00025070|0.00084428|-0.00076530|0.00030506|0.00002738|0.00013318|-0.00003850|-0.00077748|-0.00046610|-0.00024882|0.00018946|0.00003666|-0.00004043|-0.00016603|-0.00003089|0.00003827|0.00015577|0.00003698|-0.00010046|-0.00030667|-0.00003986|0.00008312|0.00010415|0.00003213|0.00027294|0.00018022|-0.00021360|-0.00023658|-0.00014313|0.00018366|0.00698081|0.02452112|-0.01780501|-0.00329639|-0.02577335|0.01837436|0.06320469|-0.03857965|-0.25669401|0.13112857|0.00210250|0.00768162|-0.00700339|0.00014678|0.00082915|0.00004511|-0.00008672|0.00036462|-0.00032896|-0.00051821|0.00191304|0.00009468|0.00003936|-0.00008837|0.00019659|-0.00005425|0.00001530|-0.00014812|-0.00005722|0.00004804|0.00003371|0.00011634|-0.00012334|0.00006193|-0.00007191|0.00005946|-0.00007415|0.00000554|0.00009535|-0.00004322|-0.00006116|-0.00012653|0.00010788|-0.00434008|-0.01725611|0.01114490|-0.00168839|-0.01299007|0.00844456|0.04227426|0.27504903|0.02452969|0.12653691|-0.14226978|0.00575853|0.03407844|-0.02216640|0.00075631|0.00135967|0.00128549|-0.00016764|0.00022925|0.00027249|-0.00081337|-0.00028596|0.00342287|0.00027647|-0.00013219|0.00006576|-0.00027375|0.00012301|-0.00016005|0.00007275|-0.00016662|0.00010716|0.00007723|0.00026772|-0.00016061|-0.00000165|-0.00007856|0.00009001|-0.00017959|-0.00013357|0.00016483|0.00014810|0.00011104|-0.00007108|-0.00231252|-0.00465860|0.00295588|-0.00064742|-0.01183256|0.00858446|-0.02719429|-0.14148600|0.15443442|0.00182201|-0.00426963|0.00179740|-0.07058778|-0.04112437|0.02736133|-0.00482352|-0.02409713|0.01760738|-0.00326665|-0.00066049|-0.00221605|0.00091960|0.03670738|-0.01342143|0.00597574|-0.00182061|-0.00168437|-0.00097346|-0.00028231|0.00053575|-0.00046114|-0.00032784|0.00009201|0.00027845|0.00000234|-0.00006770|-0.00023774|-0.00002980|-0.00004820|-0.00038305|-0.00012068|0.00031826|0.00016006|0.00012020|-0.00014786|0.00005040|-0.00024934|-0.00035252|0.00033108|0.00071534|0.00025341|0.00094628|0.00041762|0.00107313|0.07130886|0.00120449|0.00941072|-0.00601853|-0.03737655|-0.23673337|0.11852070|-0.00325766|-0.01167178|0.00890853|0.00145091|0.00048744|0.00235163|0.00317267|-0.03169665|0.01101847|-0.00284876|0.00379813|-0.00143423|0.00075662|-0.00068859|0.00177396|0.00023261|0.00122112|-0.00012417|-0.00025584|-0.00088513|0.00012565|0.00031128|0.00030617|0.00004160|0.00059909|0.00038795|-0.00106057|-0.00024817|-0.00018201|0.00031685|-0.00038722|0.00048030|0.00117924|0.00015236|0.00047127|0.00092198|0.00034372|0.00078689|-0.00265343|0.03783529|0.26423513|0.00738207|0.03232661|-0.01995473|0.02812519|0.11757056|-0.14799294|-0.00267064|-0.01219874|0.00861339|-0.00019320|0.00111356|0.00040647|-0.00326550|-0.00563996|0.00600366|-0.00073199|0.00028263|0.00112707|0.00021266|0.00031128|-0.00073299|0.00014448|-0.00065513|-0.00012072|-0.00009037|0.00066864|-0.00029949|0.00001940|-0.00019515|0.00016314|-0.00042154|-0.00017995|0.00045263|0.00010804|0.00009132|-0.00017494|0.00064202|-0.00055716|0.00127708|-0.00100616|-0.00011905|0.00157609|0.00101891|-0.00247490|-0.00755773|-0.03026764|-0.12863431|0.15641262|-0.00160197|-0.00063589|0.00025565|-0.00856520|0.01071593|-0.00780165|-0.17625818|0.08197708|-0.11820556|-0.00950004|0.00627129|-0.01652189|-0.00701607|-0.00101865|0.00138253|-0.00100457|0.00024680|-0.00116863|0.00020133|0.00091124|-0.00058276|-0.00024556|-0.00024774|-0.00008851|0.00036204|0.00029195|0.00003645|-0.00039474|-0.00009449|-0.00022811|-0.00071998|-0.00045926|0.00038959|0.00001212|-0.00020090|-0.00000345|0.00020107|-0.00004573|-0.00012634|0.00013730|-0.00006646|-0.00050118|0.00003623|0.00009087|-0.00011161|0.00119097|-0.00056717|0.00043620|0.18791568|-0.00209135|-0.00093355|-0.00003158|-0.01122574|0.01621032|-0.01622968|0.08312560|-0.12051326|0.08380298|0.00455906|-0.00821252|0.01554353|-0.00105349|-0.00176760|-0.00163489|-0.00114597|0.00145315|0.00084901|0.00030167|0.00018202|-0.00011051|-0.00001687|-0.00002001|-0.00007160|0.00000649|-0.00007637|0.00004950|0.00002730|0.00003315|0.00000911|0.00017179|0.00023567|-0.00003017|-0.00005450|-0.00006963|0.00002767|0.00019396|-0.00007584|-0.00006290|0.00018608|-0.00040022|-0.00072064|-0.00004887|0.00004123|-0.00006486|0.00168261|0.00151861|0.00069656|-0.08925210|0.11906640|-0.00213784|-0.00080140|-0.00023298|-0.00318372|0.01157092|-0.00949701|-0.12043140|0.08404625|-0.18441207|0.00902194|-0.00832142|0.01538626|0.00072437|-0.00183781|-0.00061857|0.00042058|0.00050157|0.00141343|0.00001209|0.00023773|-0.00008225|-0.00006423|-0.00002410|-0.00005923|0.00022054|-0.00003675|0.00016745|-0.00010166|0.00003790|-0.00008988|0.00021765|0.00021557|-0.00000213|0.00004569|-0.00002166|-0.00002318|0.00019827|-0.00023007|-0.00017036|0.00018576|-0.00059481|-0.00063265|0.00002855|-0.00007783|0.00042345|0.00086823|-0.00004537|0.00181768|0.12961900|-0.09385938|0.18945899|0.00154670|0.00003296|0.00134493|-0.00818710|-0.00955611|0.01414553|-0.13509995|-0.08145305|0.09336207|-0.00948683|-0.01576135|0.01494890|-0.00019084|0.00036304|-0.00034137|-0.00068959|0.00059028|-0.00091185|0.00029106|0.00031939|-0.00005998|-0.00009517|0.00007102|-0.00013001|0.00011699|-0.00002593|0.00007797|-0.00017101|0.00000422|-0.00016659|-0.00026142|-0.00015362|-0.00001618|-0.00009693|-0.00021688|0.00009129|0.00007519|-0.00008843|-0.00038371|0.00005571|0.00039967|0.00003492|-0.00000294|0.00018860|-0.00090209|-0.00247497|-0.00076596|-0.00100007|0.01579065|0.01377456|-0.01565445|0.14052992|0.00164183|0.00159128|0.00156685|-0.01065639|-0.01607579|0.01869169|-0.08323221|-0.15269910|0.11182591|0.01073015|0.01558771|-0.01724933|0.00058997|-0.00058216|-0.00079656|-0.00045143|0.00018633|0.00065151|0.00004678|0.00001283|-0.00016709|-0.00007410|0.00007009|0.00002282|0.00010614|-0.00011646|0.00017531|-0.00005812|0.00004269|-0.00010017|0.00012207|0.00016988|-0.00001019|-0.00001173|-0.00004026|0.00001685|0.00010095|-0.00031117|-0.00019649|0.00018222|0.00046872|0.00013395|0.00003377|0.00039347|-0.00109092|-0.00438032|-0.00156344|-0.00264490|-0.00805188|-0.00790515|0.00987323|0.09073228|0.16074702|0.00080009|-0.00027580|0.00149470|-0.00926294|-0.01126125|0.01490322|0.09573630|0.11188814|-0.18620735|0.00657232|0.01072209|-0.01285977|-0.00040112|-0.00075689|-0.00040254|0.00000680|0.00047422|0.00033658|-0.00016114|-0.00016972|-0.00016405|0.00005947|0.00004428|0.00014573|-0.00005610|-0.00003657|-0.00002470|0.00010139|0.00000918|0.00007696|0.00009146|0.00016283|-0.00004279|0.00000308|0.00006247|-0.00001980|0.00013019|-0.00002337|0.00002010|0.00000856|0.00011020|0.00034676|-0.00013582|0.00021896|0.00008237|-0.00312210|-0.00207745|-0.00088983|0.01208381|0.01278531|-0.01376289|-0.10463298|-0.11946539|0.19594909|0.00117199|-0.00006562|0.00020070|-0.00410040|0.00167047|0.00009999|-0.00599895|-0.01359785|0.02977888|-0.07415787|-0.02180934|0.05839849|0.00438625|0.00442796|-0.03312889|0.00438564|0.00171546|-0.00015326|0.00017402|-0.00050896|0.00014101|-0.00000222|-0.00000251|0.00001878|0.00021043|0.00033963|0.00012431|-0.00015200|-0.00004563|-0.00005309|-0.00093307|0.00018557|0.00029368|0.00013341|-0.00011674|-0.00001794|0.00005526|-0.00022988|-0.00026237|0.00005475|0.00019171|0.00025467|-0.00012276|0.00005020|-0.00009214|0.00055525|0.00001028|0.00028037|0.00162375|-0.00134864|-0.00163896|-0.00355588|0.00454965|0.00338718|0.07375930|0.00013918|-0.00036640|-0.00017101|-0.00058663|0.00152528|0.00073597|0.00271804|0.00538682|-0.01315336|-0.02416360|-0.10253084|0.08518346|0.00498517|0.00737264|-0.01835722|0.00128433|0.00101128|0.00050538|0.00051991|0.00033733|0.00034293|-0.00000346|0.00007968|-0.00018329|-0.00001018|0.00003700|0.00017403|-0.00003848|0.00001247|-0.00008650|-0.00003958|0.00007108|-0.00002380|-0.00005363|-0.00013951|0.00008549|0.00004477|-0.00001649|-0.00002800|-0.00004314|0.00002573|0.00005204|-0.00001353|-0.00014791|0.00010860|-0.00026837|-0.00006625|0.00028083|-0.00043974|0.00192727|0.00045415|0.00118801|-0.00116756|-0.00195634|0.02474375|0.09818689|0.00047213|-0.00087680|0.00009433|-0.00199204|0.00227173|-0.00011957|0.00190948|0.00336134|-0.00596020|0.05478160|0.08400866|-0.28393920|-0.00181751|0.00250037|-0.03200828|0.00379630|-0.00103859|0.00307435|-0.00152811|0.00101886|-0.00172348|-0.00024244|-0.00089424|0.00070300|0.00066980|0.00084480|-0.00007452|-0.00037484|-0.00023777|-0.00000014|-0.00106916|-0.00025274|0.00081603|0.00032817|-0.00012189|-0.00017603|0.00016058|-0.00016902|-0.00022591|-0.00009211|0.00003883|0.00000520|-0.00009460|0.00003965|0.00030874|0.00021909|-0.00110411|0.00004309|0.00060895|-0.00014759|0.00132464|0.00036267|-0.00148257|-0.00007402|-0.05745635|-0.08896369|0.31653183|0.00168173|0.00011706|0.00017859|-0.00407267|0.00018472|0.00096660|0.00657981|0.02673571|-0.00596606|-0.06669315|0.00698772|0.00222196|0.00331381|-0.02361896|-0.00210749|-0.00036108|-0.00150426|0.00069470|-0.00041199|0.00026276|0.00016060|-0.00004044|-0.00004959|-0.00005592|-0.00007370|-0.00003408|0.00007599|-0.00006983|0.00002047|-0.00009725|0.00014144|-0.00003964|0.00005424|-0.00000459|-0.00018859|0.00006841|0.00002411|-0.00007542|-0.00044530|-0.00007752|0.00006327|0.00051413|-0.00002199|-0.00001920|0.00001232|0.00091299|-0.00022868|0.00012211|-0.00207444|0.00220650|0.00165868|0.00191164|-0.00194098|-0.00116543|0.00287651|-0.00932320|0.00140080|0.05642681|0.00003076|-0.00052822|0.00051123|-0.00140548|-0.00082685|-0.00251296|-0.00140332|-0.00618025|0.00206563|0.00268487|-0.35134550|0.01238294|-0.00069730|-0.00678537|-0.00759172|-0.00048447|-0.00105759|0.00054310|0.00000624|0.00024820|-0.00015934|-0.00022159|-0.00006276|-0.00013139|0.00026616|-0.00000072|0.00011477|-0.00033873|0.00004877|-0.00022070|-0.00036291|-0.00010705|0.00015716|0.00005879|-0.00044128|0.00004252|0.00008946|-0.00004879|-0.00018726|-0.00002540|-0.00002438|-0.00015409|0.00000544|0.00006246|-0.00007025|0.00011516|-0.00020978|0.00026106|0.00058567|-0.00072018|-0.00106756|0.00018984|0.00123916|-0.00038033|0.00063580|-0.01109297|0.00205685|0.00035336|0.37773824|0.00031250|-0.00106618|0.00028583|-0.00195479|-0.00418333|-0.00369405|-0.00104839|-0.00992717|0.00013323|0.00038395|0.01664813|-0.06184585|0.00100280|-0.02789467|-0.00206832|-0.00035459|-0.00157674|0.00054546|-0.00069090|0.00050018|-0.00104402|-0.00013435|-0.00036691|0.00028097|0.00018756|0.00013056|-0.00003386|-0.00013390|-0.00003383|-0.00002681|-0.00008965|-0.00004971|0.00031564|-0.00008402|-0.00020273|0.00010953|0.00008997|-0.00003741|-0.00029607|-0.00003572|-0.00000150|-0.00008480|0.00000136|0.00014169|0.00001292|0.00034865|-0.00112121|-0.00018454|0.00047627|-0.00080962|-0.00041173|-0.00004589|0.00031405|0.00112871|-0.00004254|0.03527545|0.00073322|0.00185215|-0.00555025|0.06609684|0.00001899|-0.00009388|0.00006313|-0.00058000|0.00061535|0.00033537|-0.00008708|-0.00005224|0.00008569|-0.00030561|-0.00042107|-0.00016119|0.00088387|0.00168335|-0.00118909|0.01053244|0.00232671|0.00867069|-0.16161786|0.02742676|-0.15044815|0.00114526|0.00936002|-0.02037378|0.00000863|-0.00665257|-0.00559487|-0.00103231|0.00210889|0.00004619|0.00057006|-0.00474088|0.00030188|0.00082246|0.00026897|0.00086317|0.00002212|-0.00001654|-0.00003379|-0.00000964|-0.00000474|-0.00001011|-0.00000186|0.00000907|0.00000805|-0.00088174|-0.00034721|0.00111051|-0.00003650|-0.00001618|-0.00000359|-0.00000844|0.00002089|-0.00003973|-0.00038489|-0.00069793|0.00014294|0.00004635|0.00005017|-0.00001313|0.15181782|-0.00002031|0.00002562|-0.00003570|-0.00047211|0.00018546|0.00021539|-0.00012903|0.00021534|-0.00012140|-0.00016811|-0.00029787|0.00078953|0.00033442|0.00097329|-0.00103301|0.02065498|-0.00305886|0.02545771|0.02882668|-0.07977762|0.06045930|-0.00928553|0.01444133|-0.01428158|-0.00957191|-0.00157513|0.00436485|0.00108971|0.00066191|-0.00295364|-0.00171194|-0.00351054|0.00270008|0.00021129|0.00142490|0.00134530|0.00000094|0.00000528|-0.00000629|-0.00000958|-0.00002907|-0.00003779|0.00001566|-0.00002606|-0.00000882|0.00009014|0.00021292|-0.00007020|-0.00002352|-0.00002020|0.00000556|0.00006238|-0.00007874|-0.00006255|-0.00061928|-0.00043057|-0.00053893|0.00007639|0.00005243|-0.00021504|-0.03195275|0.07269915|-0.00007321|-0.00041445|0.00001433|0.00011367|0.00106000|-0.00048887|0.00010540|-0.00019325|0.00028751|0.00020794|0.00018164|-0.00055329|-0.00044975|-0.00139272|0.00063672|-0.01034698|-0.00037963|-0.00986197|-0.14567372|0.06870453|-0.27990052|-0.00467430|0.00503620|-0.00031677|-0.00451458|0.00268813|0.00458344|0.00025334|-0.00072740|-0.00215283|0.00044930|0.00435339|0.00171363|-0.00063804|-0.00091790|-0.00073707|0.00000389|0.00001784|0.00000497|0.00000560|0.00005965|-0.00000132|-0.00004086|-0.00000186|0.00016784|0.00056033|-0.00078288|0.00005725|0.00003458|0.00004305|-0.00001596|-0.00012280|-0.00007828|-0.00002484|-0.00018443|-0.00023246|0.00062366|-0.00004011|-0.00008019|0.00018455|0.16381383|-0.07553422|0.28686865|-0.00002145|-0.00001349|-0.00005626|0.00009010|0.00023006|-0.00046361|-0.00003260|0.00006082|-0.00000234|0.00008053|-0.00004238|0.00049767|0.00024184|-0.00016887|-0.00034590|-0.00004899|-0.00772360|-0.00455314|-0.00341943|-0.01818926|0.01630278|-0.13626026|-0.13801623|0.04760121|0.00916053|0.01069795|-0.00206744|0.00047540|0.00009646|0.00168847|-0.00050974|0.00195120|-0.00492380|0.00086641|0.00017056|0.00002557|-0.00002853|0.00000669|0.00003590|0.00002143|-0.00001247|0.00003104|0.00001712|0.00000347|0.00001196|-0.00026552|0.00006803|0.00005433|-0.00004307|-0.00000172|-0.00000769|-0.00001829|-0.00000757|0.00000391|0.00002146|0.00004045|-0.00005100|0.00000582|-0.00004157|-0.00006795|-0.00141430|0.00252678|0.00146114|0.13130929|-0.00001862|0.00004689|0.00000919|0.00029236|-0.00052967|0.00017433|0.00001431|-0.00001997|-0.00004061|0.00011771|0.00014007|0.00010206|-0.00103428|-0.00169595|0.00085453|-0.00484683|0.00841879|0.00160885|-0.00227193|-0.00652393|0.00524407|-0.13632662|-0.26068767|0.10832351|-0.00844988|-0.00559000|-0.00241372|0.00162270|-0.00004895|-0.00014085|0.00057076|-0.00080579|0.00327853|-0.00075189|0.00037547|-0.00000985|-0.00000604|0.00001769|0.00000245|0.00000200|-0.00000247|-0.00001659|0.00000110|-0.00000337|-0.00002370|0.00017544|0.00009794|-0.00009747|-0.00001705|0.00001560|-0.00000357|0.00000891|0.00000264|-0.00000045|-0.00002538|-0.00000949|-0.00007617|-0.00006113|-0.00002195|-0.00001618|0.00164045|-0.00179616|-0.00214587|0.14885562|0.26846969|-0.00002353|0.00002573|-0.00001302|0.00024559|-0.00040072|0.00005971|0.00003351|-0.00000792|-0.00002175|0.00015972|0.00011414|0.00012274|-0.00092671|-0.00174346|0.00163648|-0.00761327|0.00442792|-0.00005383|-0.00655143|-0.01579487|0.01134741|0.05044597|0.11006660|-0.10651305|0.01974341|0.01602100|-0.00014013|-0.00062996|-0.00165855|0.00011115|-0.00258196|0.00491108|-0.00322484|0.00161623|0.00006818|0.00027225|0.00002277|0.00001305|0.00001471|-0.00000676|0.00004672|-0.00001519|-0.00002368|-0.00002140|-0.00000965|0.00016424|0.00008279|-0.00005594|-0.00001052|0.00001091|-0.00000589|0.00000507|-0.00000798|-0.00000618|-0.00000208|-0.00000447|-0.00007923|-0.00005122|-0.00002739|-0.00003325|0.00248670|-0.00105804|-0.00143780|-0.05518201|-0.11521698|0.09824964|-0.00003070|0.00001583|-0.00001181|0.00000507|-0.00010245|0.00014225|-0.00003977|-0.00001642|-0.00002079|-0.00014053|0.00003379|0.00007654|0.00018827|-0.00065300|-0.00054683|-0.00046950|-0.00044108|-0.00052120|-0.00045120|-0.00137948|0.00131567|0.00044506|0.00445690|0.00415252|-0.03101625|-0.03731834|0.01666353|-0.18996417|-0.17804920|0.05299473|0.00079237|-0.00077512|-0.00951947|-0.00011905|-0.00003961|-0.00035300|0.00000931|-0.00000505|-0.00000010|0.00001042|-0.00000701|0.00001581|0.00000966|0.00001662|-0.00001432|0.00002285|0.00004375|-0.00004574|0.00000434|0.00000570|0.00001889|0.00000387|0.00001818|-0.00000126|0.00001779|0.00000567|-0.00001185|0.00000202|0.00002564|-0.00000256|0.00047697|0.00001573|-0.00018115|-0.00016833|0.00038674|-0.00108178|0.22033892|0.00005142|0.00000271|0.00002124|0.00001479|-0.00002651|-0.00011866|-0.00003618|0.00001298|-0.00003219|0.00001149|0.00011968|0.00010385|-0.00099891|0.00007793|-0.00071210|0.00019764|0.00191836|0.00290148|-0.00055953|-0.00175880|-0.00026636|0.00668021|-0.00182195|-0.00280550|0.00597442|-0.00742428|0.00941530|-0.22095585|-0.28753911|0.08931672|-0.00304433|0.00563930|0.00154456|0.00029175|0.00098428|0.00046420|-0.00001628|0.00000542|-0.00001178|-0.00001230|-0.00001724|-0.00000046|0.00000858|-0.00000327|-0.00000429|-0.00005093|0.00001721|0.00000323|-0.00002729|0.00000026|-0.00000352|-0.00000057|-0.00000438|0.00000019|-0.00004131|0.00000210|-0.00005932|0.00000505|-0.00002418|-0.00000830|-0.00042663|0.00046433|0.00042857|-0.00067105|0.00041209|-0.00037494|0.21381155|0.28908388|0.00005050|0.00001457|0.00001701|-0.00013188|0.00006642|0.00004755|-0.00001288|0.00001611|-0.00004293|-0.00014148|-0.00008108|-0.00000868|-0.00053351|0.00001217|-0.00069048|-0.00081161|0.00132993|0.00158179|-0.00043017|-0.00177198|0.00028186|0.00383287|-0.00485896|-0.00169903|-0.03161067|-0.02809953|-0.00100098|0.09928685|0.12626854|-0.07862918|-0.00637449|0.00441665|0.00232939|0.00047628|0.00095481|-0.00125800|0.00002658|-0.00002259|-0.00001830|-0.00003017|0.00001443|0.00001874|-0.00000702|0.00000368|-0.00001088|-0.00002754|0.00001833|-0.00002063|0.00000824|-0.00000984|0.00001298|0.00002046|0.00001112|-0.00001001|-0.00001878|0.00000660|-0.00003644|0.00000811|0.00001151|-0.00001495|-0.00018809|0.00054068|0.00046554|0.00003307|0.00055316|0.00004573|-0.06369614|-0.09888224|0.07787404|-0.00003818|0.00000683|-0.00002532|0.00024264|-0.00015124|-0.00019689|-0.00002045|0.00001416|-0.00000510|0.00013842|0.00009387|0.00022859|0.00002362|0.00037127|-0.00048577|0.00032930|0.00135961|-0.00027500|-0.00053427|-0.00003915|-0.00035835|0.00000540|0.00000787|-0.00013664|0.00032663|-0.00020726|-0.00026454|-0.00120054|-0.00119675|0.00108565|-0.00558645|-0.00135209|-0.00706529|-0.13483740|-0.02335508|-0.12918902|0.00001084|0.00000719|0.00004837|0.00001465|0.00006572|-0.00001928|-0.00004227|-0.00004457|-0.00000654|-0.00005581|0.00006525|0.00003050|-0.00002331|0.00001282|-0.00000016|-0.00000877|-0.00001296|0.00000191|-0.00003028|0.00000805|-0.00005233|-0.00000661|-0.00002654|0.00001802|0.00004100|0.00011796|-0.00008569|0.00001343|0.00003869|-0.00003185|0.00011583|-0.00020847|-0.00008303|0.14022735|0.00003415|0.00001213|0.00002560|0.00002426|0.00019553|0.00004163|0.00012358|-0.00000153|0.00001286|0.00006015|-0.00030586|-0.00005055|-0.00015830|0.00049074|-0.00030477|-0.00169727|-0.00845303|0.00449600|0.00250264|0.00119600|0.00153378|-0.00038930|-0.00012980|-0.00045337|0.00085861|0.00122704|0.00195493|-0.00125581|-0.00136275|-0.00046146|0.02410064|0.00682118|0.03469608|-0.03189736|-0.07196952|-0.05659146|-0.00000441|-0.00000564|-0.00002158|-0.00000442|-0.00001401|0.00001405|0.00000665|0.00000278|-0.00001206|-0.00003609|0.00002690|-0.00000138|0.00002345|0.00001187|0.00000034|0.00002540|0.00000248|-0.00000444|-0.00000916|0.00001518|-0.00000149|0.00005502|0.00007425|0.00003761|-0.00025779|-0.00062419|0.00027826|-0.00009284|-0.00000111|-0.00010227|0.00007102|-0.00008574|-0.00043950|0.02514221|0.07689024|-0.00000415|0.00001114|-0.00002315|-0.00003332|-0.00012224|-0.00003893|-0.00005712|0.00000848|-0.00001528|-0.00003975|0.00007616|0.00003070|0.00010016|-0.00032452|0.00013388|0.00135313|0.00472670|0.00010106|-0.00148166|-0.00100494|-0.00033169|0.00062052|0.00013750|0.00045831|-0.00319023|-0.00102439|-0.00207409|0.00034814|-0.00150513|0.00145434|-0.00875392|0.00039870|-0.01439987|-0.12637620|-0.04372935|-0.28152729|-0.00000126|0.00000110|0.00001645|0.00000783|0.00000233|-0.00000566|-0.00001293|-0.00000753|0.00000804|0.00002000|-0.00000698|0.00000244|-0.00002123|-0.00000107|0.00000159|-0.00001928|-0.00000306|0.00000529|0.00001185|-0.00000293|0.00001026|-0.00000698|-0.00000069|-0.00002178|0.00012073|0.00023469|-0.00011549|0.00005732|0.00000968|-0.00000230|0.00031671|-0.00055447|0.00051205|0.14368692|0.04674955|0.30203228|-0.00002526|-0.00004996|0.00006457|0.00016895|-0.00009003|0.00009542|-0.00001968|-0.00002471|0.00001594|0.00015751|0.00031704|0.00015037|-0.00067528|0.00028446|-0.00045540|0.00060037|-0.00133892|0.00151815|0.00021510|0.00052801|-0.00043070|-0.00025726|0.00015636|-0.00021999|-0.00129823|-0.00266060|-0.00053147|0.00113273|0.00114618|0.00068284|-0.00052105|0.01208997|-0.00072644|-0.15382524|0.07838669|0.10085118|-0.00003530|0.00003525|-0.00002705|0.00000509|-0.00004999|-0.00004506|0.00005627|0.00001653|-0.00003449|-0.00002369|0.00001302|-0.00000881|-0.00000343|-0.00000441|-0.00002365|0.00001813|0.00000127|-0.00000258|-0.00003975|-0.00000938|-0.00009616|-0.00007273|-0.00011235|-0.00000546|0.00001525|-0.00001599|-0.00004433|-0.00005286|0.00006419|-0.00003674|-0.00008651|0.00010885|0.00016464|0.01368383|-0.01063714|-0.01111601|0.15664418|-0.00009619|-0.00014926|-0.00000594|-0.00008518|-0.00001530|-0.00004871|0.00005751|0.00000126|0.00001362|0.00001173|-0.00027919|-0.00001744|0.00010956|0.00031809|-0.00003554|-0.00258246|0.00173034|-0.00096745|0.00033544|0.00033229|0.00060110|-0.00024086|0.00050259|0.00030139|0.01038605|0.00448783|-0.00076951|-0.00368602|0.00078031|-0.00158915|0.01911118|-0.04061168|-0.01299826|0.07751098|-0.13194702|-0.09008234|0.00005981|0.00003171|-0.00001996|0.00000040|0.00007637|0.00009946|0.00006953|0.00004576|-0.00002990|-0.00003113|0.00007585|-0.00005442|0.00002630|0.00000834|0.00000229|0.00003827|0.00001337|-0.00000627|0.00001163|0.00001063|0.00000533|0.00002374|0.00007101|0.00002004|0.00009406|-0.00008044|-0.00000872|-0.00000613|-0.00004820|0.00010580|-0.00008327|0.00002957|-0.00008142|0.00313983|-0.00190413|-0.00438156|-0.09523821|0.15389936|0.00002695|0.00004252|-0.00000818|0.00003796|0.00008348|-0.00010769|0.00000927|0.00000336|-0.00000100|-0.00008473|-0.00012680|-0.00007186|0.00001048|-0.00031523|0.00001308|0.00067213|-0.00119985|0.00409959|0.00092422|0.00102477|-0.00029819|-0.00019557|-0.00052005|-0.00063520|-0.00185336|-0.00103355|0.00111741|-0.00046977|0.00029411|0.00046451|-0.01250870|0.01647805|0.01326439|0.10171665|-0.09419487|-0.17864606|0.00001783|-0.00003030|0.00001922|0.00000494|0.00003109|-0.00002970|-0.00006228|-0.00003130|0.00001325|0.00000439|-0.00001366|0.00003432|0.00000857|-0.00000043|0.00001505|-0.00001068|-0.00000448|-0.00000353|0.00000719|0.00000289|0.00003521|0.00000697|0.00003252|-0.00000372|0.00004619|-0.00015614|-0.00001446|-0.00000696|-0.00002115|0.00000541|0.00018369|-0.00023658|-0.00006548|0.02045345|-0.01512610|-0.01771300|-0.11151804|0.09788837|0.18199195|-0.00001504|-0.00004571|-0.00000583|-0.00002000|0.00019687|-0.00004013|0.00006629|0.00001552|-0.00001779|-0.00003428|-0.00026139|0.00011320|-0.00026453|0.00150253|-0.00105110|-0.00027461|-0.00038622|-0.00007496|-0.00007121|-0.00023886|0.00033800|0.00050948|0.00053352|0.00020331|-0.00086822|0.00216364|-0.00217383|0.00026585|-0.00083880|0.00031899|0.01344523|0.00676728|-0.00242924|-0.28437391|-0.12565381|0.05050427|0.00001036|-0.00000863|-0.00001187|0.00000561|0.00000169|0.00001342|-0.00001622|0.00004358|0.00002691|-0.00003950|0.00002382|0.00001488|0.00001157|0.00000569|0.00000711|0.00000828|0.00000154|-0.00000527|0.00005225|0.00001354|0.00002598|0.00005772|0.00002232|0.00003056|-0.00004097|-0.00004301|0.00006093|-0.00002000|0.00001870|-0.00016971|0.00004326|-0.00010609|0.00018988|-0.01278860|-0.00658791|0.00447074|-0.01576116|-0.00893655|0.00257921|0.30011236|-0.00010205|-0.00016735|0.00009771|0.00040924|-0.00017995|0.00006328|0.00013154|-0.00002592|0.00002812|0.00040477|0.00018415|0.00019034|-0.00037908|0.00031511|-0.00098125|-0.00151648|0.00161868|-0.00054781|-0.00040067|-0.00062874|0.00018676|-0.00117734|-0.00167009|0.00047130|0.00472274|-0.00174457|0.00508649|-0.00062677|0.00041472|-0.00031070|-0.03322949|-0.02874642|0.00605335|-0.11352433|-0.12340314|0.02482943|-0.00002287|0.00007758|-0.00006253|-0.00001506|-0.00003161|0.00003812|0.00017665|0.00007083|-0.00008233|-0.00011247|0.00016245|-0.00008354|0.00000731|0.00001064|-0.00002028|0.00003308|0.00001656|-0.00000105|-0.00011179|-0.00003339|-0.00018150|-0.00000803|-0.00005671|-0.00000691|0.00007573|-0.00005650|0.00003857|0.00027907|-0.00021218|0.00052509|-0.00003707|-0.00006464|0.00000841|-0.00385722|-0.00210902|0.00031283|0.01708387|0.01262053|-0.00287068|0.13179671|0.14363899|0.00001743|-0.00002463|0.00007240|-0.00042138|0.00020488|0.00034738|-0.00006839|-0.00002855|0.00000825|-0.00029714|0.00014171|-0.00042881|0.00022413|-0.00013947|0.00034861|0.00160953|-0.00068202|0.00001435|0.00037889|0.00033565|-0.00019827|0.00034043|0.00070824|-0.00007330|-0.00336955|0.00056514|-0.00210603|0.00003331|-0.00100193|0.00049273|0.01316994|0.01545701|-0.00326823|0.04659570|0.02185277|-0.07255064|-0.00000487|-0.00000515|-0.00006213|-0.00002001|-0.00007104|-0.00002973|0.00005050|0.00003676|0.00000618|0.00013181|-0.00018283|-0.00000248|0.00003161|-0.00003286|-0.00000474|0.00000412|0.00001411|0.00000282|0.00005372|-0.00004478|0.00011349|-0.00006060|-0.00004518|-0.00006313|-0.00003955|0.00000026|0.00001309|-0.00007630|0.00006280|-0.00025321|0.00012766|-0.00012864|0.00031929|-0.02727260|-0.01627027|0.01150186|0.02177927|0.01205922|-0.00347531|-0.05291768|-0.03278121|0.06927557| 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| 60.3428 78.3683 112.1641 168.4095 179.3106 199.3286 237.9647 264.6544 314.7633 344.6447 373.3235 414.3771 473.8300 536.0724 600.3012 662.6125 733.7372 796.8321 810.5844 829.7276 847.4547 888.6844 921.4006 957.6741 978.7187 1020.0080 1033.8327 1049.6602 1077.4931 1127.5117 1181.3592 1199.4780 1213.2819 1241.5325 1258.4626 1273.7236 1286.1671 1296.7437 1348.8808 1356.4223 1381.3587 1395.8917 1415.8597 1427.5311 1484.3014 1516.8579 1536.1134 1557.1180 1571.3490 1594.6463 1630.1834 1636.3600 1639.6745 1642.6829 1653.4427 1683.2923 1795.8709 1888.3686 3175.7656 3190.1047 3204.6763 3207.5425 3255.4472 3268.5714 3275.2496 3287.6151 3304.5388 3310.3179 3356.6716 3428.3677 3451.5286 3757.6703 3.4413 3.9342 2.7448 2.1477 1.3957 2.0972 1.1663 2.5742 2.7857 3.4259 3.6811 3.6040 2.6409 3.4392 2.9606 3.9317 3.7581 2.3407 4.3510 5.3168 1.2203 1.4552 1.4444 3.7343 2.1050 1.5902 1.5209 2.2202 1.4485 3.0432 1.7939 1.3450 1.8866 2.6314 1.4803 1.5159 1.7620 1.6572 1.4848 1.9707 2.7713 1.4749 2.3279 1.8646 1.6237 2.0179 1.5205 2.9654 1.4274 1.2624 1.0495 1.0839 1.0632 1.0736 1.0675 1.1393 5.9269 8.7427 1.0827 1.0702 1.0398 1.0493 1.0637 1.1000 1.0955 1.1040 1.0890 1.1099 1.1039 1.0903 1.1092 1.0762 0.0074 0.0142 0.0203 0.0359 0.0264 0.0491 0.0389 0.1062 0.1626 0.2398 0.3023 0.3646 0.3493 0.5823 0.6286 1.0171 1.1921 0.8756 1.6844 2.1566 0.5164 0.6771 0.7225 2.0179 1.1880 0.9748 0.9577 1.4412 0.9908 2.2794 1.4751 1.1401 1.6363 2.3897 1.3813 1.4490 1.7173 1.6419 1.5918 2.1363 3.1156 1.6932 2.7495 2.2387 2.1076 2.7356 2.1140 4.2362 2.0766 1.8914 1.6433 1.7101 1.6841 1.7069 1.7195 1.9021 11.2622 18.3684 6.4339 6.4169 6.2916 6.3603 6.6422 6.9242 6.9238 7.0304 7.0066 7.1657 7.3279 7.5505 7.7853 8.9529 0.6648 2.0096 1.1456 5.2532 2.5021 0.6856 2.5566 10.5212 6.3921 10.7996 3.4591 7.1617 2.4901 8.0013 4.9122 39.3844 46.6687 7.0536 11.8491 19.6822 16.9818 7.1457 117.0949 62.6668 2.3328 0.7445 4.1189 10.1961 6.2242 11.0684 3.2290 46.1237 6.7135 42.2061 81.1639 14.4534 51.8714 0.2029 9.6071 37.5013 8.8943 6.0663 19.8836 6.3549 12.7996 7.1303 9.3951 67.3498 15.9393 15.2069 4.0481 2.4566 9.9371 5.7020 0.6275 4.6967 14.6877 600.0128 32.2318 74.0582 26.6158 57.3644 34.5511 33.6172 58.6187 26.3752 28.2701 45.4459 5.7230 0.6701 3.4887 0.7317 1.5575 3.8990 0.3174 1.1684 1.5880 0.1917 0.2925 0.7041 0.7880 2.2885 0.8584 4.2662 4.1685 2.7218 2.7118 3.8714 3.7559 6.8926 14.2372 10.6331 0.8227 6.2476 4.0028 1.6320 9.8711 6.2230 6.0891 7.0040 5.1132 2.1948 24.1778 10.0289 1.1690 2.8379 5.3693 7.2724 7.0556 7.4615 4.8140 7.8166 4.0671 2.1160 2.5405 1.8546 7.3091 3.7707 1.4992 9.6131 2.1421 7.2120 18.7622 10.6960 18.9854 8.8280 12.3951 8.6125 24.9728 114.7263 33.1442 74.2496 116.8900 105.0254 99.2349 66.5354 118.3403 35.4842 51.4004 86.5537 45.0250 61.1267 97.0260 175.8350 0.7190 0.7305 0.7451 0.6533 0.6557 0.6429 0.6331 0.6639 0.5945 0.4407 0.6066 0.4587 0.1561 0.5235 0.5205 0.7500 0.7492 0.1425 0.3192 0.1955 0.6878 0.3897 0.7407 0.7374 0.7027 0.2715 0.5878 0.4663 0.7128 0.7171 0.3138 0.5777 0.4131 0.5645 0.7491 0.7217 0.2235 0.5041 0.7445 0.7451 0.3772 0.7416 0.6467 0.4354 0.6025 0.5490 0.7425 0.1129 0.5901 0.5566 0.7393 0.7341 0.7276 0.7262 0.6965 0.7209 0.1534 0.2997 0.6190 0.2351 0.0459 0.1095 0.2042 0.7468 0.2262 0.7476 0.4445 0.7151 0.6738 0.6972 0.1361 0.3354 0.8366 0.8443 0.8540 0.7903 0.7921 0.7826 0.7753 0.7980 0.7457 0.6118 0.7551 0.6289 0.2700 0.6873 0.6846 0.8571 0.8566 0.2495 0.4839 0.3271 0.8150 0.5609 0.8511 0.8488 0.8254 0.4271 0.7404 0.6360 0.8323 0.8352 0.4777 0.7323 0.5847 0.7217 0.8566 0.8384 0.3653 0.6703 0.8535 0.8539 0.5477 0.8516 0.7854 0.6066 0.7520 0.7089 0.8522 0.2030 0.7422 0.7151 0.8501 0.8467 0.8423 0.8414 0.8211 0.8378 0.2660 0.4612 0.7646 0.3807 0.0878 0.1974 0.3391 0.8551 0.3689 0.8556 0.6155 0.8339 0.8051 0.8216 0.2396 0.5023 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 7 6 6 6 7 7 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 14.00307 12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 995.55938 2799.13421 2866.40440 0.99997 -0.00022 -0.00799 -0.00027 0.99809 -0.06180 0.00799 0.06180 0.99806 1 0.08700 0.03094 0.03022 1.81279 0.64475 0.62962 86.82 112.75 161.38 242.30 257.99 286.79 342.38 380.78 452.87 495.87 537.13 596.20 681.74 771.29 863.70 953.35 1055.68 1146.46 1166.25 1193.79 1219.30 1278.62 1325.69 1377.88 1408.16 1467.56 1487.45 1510.23 1550.27 1622.24 1699.71 1725.78 1745.64 1786.29 1810.65 1832.60 1850.51 1865.73 1940.74 1951.59 1987.47 2008.38 2037.11 2053.90 2135.58 2182.42 2210.12 2240.35 2260.82 2294.34 2345.47 2354.36 2359.13 2363.45 2378.94 2421.88 2583.86 2716.94 4569.22 4589.85 4610.81 4614.94 4683.86 4702.75 4712.35 4730.14 4754.49 4762.81 4829.50 4932.66 4965.98 5406.45 0.240745 0.251680 0.252624 0.203843 -528.520306 -528.509371 -528.508427 -528.557208 1.636123D-04 MUNgauss RevisionA2.1 retrievium 02-Nov-2022 GDB_13 Smiles: CC1CCN1N1C=CC(=N)N1C RHF 6-31G(d) (6D,10F) C1 166.121847 |X|Y|Z| 18.453654 19.399867 36.973728 23.655100 9 6 7 6 3 |36.858105| |12.573287|36.858105| |7.196027|12.339920|36.858105| |5.525256|8.994845|12.369242|36.858105| |7.522502|12.932827|9.173570|13.081063|53.358707| |5.560373|7.545876|5.656285|7.789777|18.693065|53.358707| |4.809588|6.377775|4.813668|5.943700|10.796334|18.631650|36.858105| |4.196512|4.852696|3.724078|4.281670|7.568699|11.515008|14.384291|36.858105| |4.305288|4.594110|3.533152|4.050096|7.535842|11.381358|8.476042|12.963620|36.858105| |3.587141|3.617137|2.908445|3.238283|5.660280|7.470045|5.468967|7.624948|15.096063|53.358707| |5.315267|5.837574|4.371991|5.233681|11.162146|18.345593|8.552274|8.387837|13.716837|11.147485|53.358707| |4.377310|4.572123|3.823118|4.605315|8.601872|10.761881|5.430655|5.322633|7.767479|9.063357|17.937154|36.858105| |17.529484|8.855729|6.356924|4.615333|7.514809|5.915534|4.025721|3.590831|3.568544|4.177557|5.617900|3.505413|0.500000| |17.571770|8.844336|5.362804|4.677689|9.027604|7.754271|5.099120|4.761528|5.073035|5.757498|8.226742|4.720752|0.300762|0.500000| |17.568277|8.867520|6.663150|5.307123|9.437020|6.897137|4.148191|3.675499|3.954184|4.625031|6.874780|4.558817|0.300034|0.301320|0.500000| |8.866709|17.485671|8.748550|7.188372|12.149845|9.471878|7.189104|5.357536|4.612472|4.900278|7.253416|4.028299|0.212770|0.212233|0.173537|0.500000| |5.719125|8.463522|17.616028|8.474669|8.654030|6.250090|4.267524|3.367496|3.098199|3.529122|4.944962|3.184071|0.156512|0.124795|0.143068|0.216001|0.500000| |6.887703|8.670447|17.597386|8.669160|9.821155|6.445362|3.947453|3.220613|3.187408|3.678369|5.392351|3.669966|0.173177|0.139941|0.204443|0.173438|0.299263|0.500000| |4.570035|7.089569|8.676457|17.501848|12.122606|9.748131|6.366317|4.417999|3.914599|4.252702|6.423843|4.055356|0.111108|0.112576|0.117524|0.188801|0.214178|0.172850|0.500000| |4.562554|6.268044|8.395723|17.592794|12.082233|8.631756|4.795485|3.690821|3.642924|4.099097|6.400085|4.554863|0.107943|0.109847|0.130262|0.142871|0.177817|0.211145|0.299539|0.500000| |4.441744|6.192767|5.044376|6.173172|9.489216|12.189338|17.785442|8.796493|5.768951|5.738983|8.015009|4.279085|0.107974|0.124399|0.105671|0.211122|0.131019|0.110833|0.207026|0.134127|0.500000| |3.560219|3.998005|3.196096|3.558460|5.867001|7.886282|8.847356|17.793836|8.421831|8.835956|7.851300|4.172316|0.088170|0.111375|0.086940|0.125547|0.082911|0.077587|0.104134|0.086603|0.199255|0.500000| |3.191208|3.235628|2.640908|2.903318|4.889594|6.282332|4.987789|7.304797|10.193681|25.866121|8.185269|4.973020|0.077988|0.103518|0.082898|0.092075|0.066756|0.067862|0.079557|0.074774|0.111124|0.199341|0.500000| |4.004102|3.915191|3.274363|3.718884|6.646913|7.838320|4.488485|4.728458|7.165620|9.990603|12.637527|17.667735|0.091185|0.124200|0.116701|0.097813|0.077479|0.088848|0.092571|0.101838|0.100622|0.107689|0.147617|0.500000| |3.611826|3.918683|3.456887|4.318380|7.332001|9.467942|5.098534|4.989424|6.731433|8.178503|12.315417|17.529725|0.083235|0.105473|0.103198|0.098787|0.081813|0.091590|0.109836|0.122839|0.114649|0.111713|0.131059|0.299730|0.500000| |4.784781|4.948256|4.290156|5.151091|9.539814|9.838711|4.826443|4.434021|5.719274|6.721522|12.567410|17.633683|0.104693|0.135798|0.147537|0.114543|0.096283|0.118679|0.118795|0.147270|0.111126|0.099093|0.109422|0.299849|0.298865|0.500000| 528.259121 -2729.657869 998.155447 -73.109805 -1276.353106 747.592053 -528.761053 2.000950 403000000000000E 419F41495FFFFFF9 413639CDC71C71C2 40CB300000000001 C03C000000000000 4167897B80000001