Version2.5 2022-11-02T10:13:20Z 10.1021/ja902302h Gaussian16 RevisionB.01 DOC1ROB 19-Oct-2022 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) GDB_13 Smiles: CC1(C)CN1N1CC=CC1=NN RHF 6-31G(d) (6D,7F) CC1(C)CN1N1CC=CC1=NN C1[X(C8H14N4)] 72 C1 208 CC1(C)CN1N1CC=CC1=NN NN=C1C=CCN1N1CC1(C)C CC1(C)CN1N2CC=CC2=NN InChIKey=UOYOOIMNFXTLLB-UHFFFAOYSA-N InChI=1S/C8H14N4/c1-8(2)6-12(8)11-5-3-4-7(11)10-9/h3-4H,5-6,9H2,1-2H3 InChI=1/C8H14N4/c1-8(2)6-12(8)11-5-3-4-7(11)10-9/h3-4H,5-6,9H2,1-2H3 CC1(C)CN1N1CC=CC1=NN C01[X(C8H14N4)] 72 C1 208 CC1(C)CN1N1CC=CC1=NN NN[C@@H]1CCC[N@]1[N@@]1CC1(C)C CC1(C)CN1N2CCC[C@H]2NN InChIKey=YQUMHSLIRLBHDD-JVXZTZIISA-N InChI=1S/C8H18N4/c1-8(2)6-12(8)11-5-3-4-7(11)10-9/h7,10H,3-6,9H2,1-2H3/t7-,12+/m0/s1 InChI=1/C8H18N4/c1-8(2)6-12(8)11-5-3-4-7(11)10-9/h7,10H,3-6,9H2,1-2H3/t7-,12+/m0/s1 5.282221670210D+02 -2.717187019841D+03 740.9193161188 -528.7458473 1-A 2078.7437 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| -15.59173 -15.58170 -15.55762 -15.54407 -11.29554 -11.26499 -11.25723 -11.24859 -11.24271 -11.23221 -11.20237 -11.20225 -1.34878 -1.27194 -1.21070 -1.07244 -1.06259 -0.99433 -0.93747 -0.93254 -0.87058 -0.78399 -0.77997 -0.70481 -0.68446 -0.66266 -0.65021 -0.63848 -0.61230 -0.60388 -0.59651 -0.57322 -0.55721 -0.53765 -0.53347 -0.52202 -0.51005 -0.49002 -0.48252 -0.46353 -0.43753 -0.42006 -0.35661 -0.34791 -0.31132 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.13559 0.23499 0.24800 0.26167 0.27038 0.28485 0.28867 0.29635 0.29706 0.31448 0.32020 0.32300 0.33143 0.33509 0.35157 0.35988 0.37665 0.37919 0.38666 0.39155 0.41853 0.44807 0.46151 0.48236 0.50299 0.53959 0.56666 0.59808 0.63992 0.71261 0.72093 0.73499 0.75169 0.76246 0.76836 0.78657 0.79527 0.80806 0.83384 0.85669 0.86612 0.88147 0.90662 0.92152 0.93876 0.94519 0.95939 0.97148 0.97380 0.99000 1.01808 1.03297 1.03891 1.05983 1.08396 1.08761 1.10827 1.11229 1.12210 1.13563 1.15321 1.15534 1.17094 1.18841 1.19107 1.19624 1.20617 1.21875 1.22732 1.23430 1.24543 1.25027 1.25878 1.26794 1.28833 1.29742 1.32145 1.37223 1.39468 1.40829 1.46887 1.47339 1.51335 1.57068 1.62931 1.64710 1.68199 1.70591 1.71755 1.74721 1.77493 1.78280 1.83308 1.85064 1.85881 1.89247 1.98949 2.01537 2.03906 2.05691 2.08552 2.12927 2.13894 2.16397 2.20887 2.21657 2.23025 2.28138 2.29445 2.31145 2.32730 2.36170 2.37912 2.39390 2.42061 2.42338 2.44577 2.46642 2.49201 2.50924 2.55825 2.57592 2.58936 2.60762 2.63030 2.65954 2.67232 2.69490 2.72857 2.74973 2.77085 2.78577 2.81134 2.84175 2.86412 2.90600 2.94908 2.96566 2.98724 3.02669 3.05382 3.07515 3.14531 3.16355 3.19028 3.22386 3.24876 3.32969 3.35568 3.54305 3.61655 4.21804 4.47017 4.53893 4.58734 4.64324 4.66207 4.66403 4.75463 4.77389 4.91849 4.96286 5.07033 12.16094 -0.3693 -1.6155 0.4837 1.7263 |XX|YY|ZZ|XY|XZ|YZ| -68.0162 -62.7206 -74.1022 1.6789 1.4226 -0.7277 |XX|YY|ZZ|XY|XZ|YZ| 0.2635 5.5591 -5.8225 1.6789 1.4226 -0.7277 |XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| -4.9088 17.7412 -2.1411 -13.7072 -11.3529 -2.0032 -0.9877 6.1387 -2.9029 2.7281 |XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY| -1624.9996 -740.7697 -265.3862 29.3413 -3.8033 -36.4188 -9.0700 3.8897 -6.0765 -400.2070 -323.8522 -175.1368 -1.3383 7.5986 -17.1725 0 |0.65034300|0.00735445|0.67337059|-0.00108299|0.01863711|0.56138234|-0.09825884|-0.00390646|-0.03014941|0.40151616|-0.00156213|-0.09877772|0.01176451|0.10059223|0.69235782|-0.03477238|0.01110216|-0.23458909|0.06104968|-0.07335751|0.65295237|0.00021478|-0.00524451|-0.00562748|-0.10992078|-0.04206551|-0.03007567|0.63358109|0.00214072|0.00600210|-0.00219467|-0.04910984|-0.19261445|-0.05567544|-0.02802639|0.59318962|-0.01715022|-0.03135521|-0.01652711|-0.03481149|-0.05989311|-0.13085717|-0.01082688|-0.03426827|0.65547199|-0.00766883|0.00436922|0.00156996|-0.03112942|0.05446018|-0.04588114|0.00788276|-0.01260522|0.00268417|0.48947805|0.00154096|-0.00363399|0.00433726|0.01188965|-0.26621008|0.08039042|0.01763089|-0.02522476|0.00484455|-0.11794399|0.68515149|-0.02380360|0.03324559|-0.00612419|-0.02636089|0.06708709|-0.10665358|0.01646037|-0.01257358|0.00326608|0.20479249|0.09230463|0.62435431|0.00515234|0.00370941|0.00203598|-0.12909326|-0.09410055|0.06571991|-0.02241765|-0.00912564|0.01366158|-0.20019692|0.11493691|0.02636322|0.63051117|-0.00769139|-0.00449809|0.00686177|-0.04741868|-0.07459188|0.07542996|-0.03029758|-0.00822778|0.01387760|0.03489058|-0.10169382|-0.07103606|0.07716457|0.35297074|0.04433987|0.00428917|-0.01652023|0.02417621|0.04113857|-0.15783896|-0.01567185|0.00421607|0.00752006|0.01347001|-0.04848169|-0.05494134|0.02100419|0.02393774|0.34092222|0.00219254|0.00146953|0.00135902|-0.02121367|-0.00127954|-0.00144340|-0.00041862|0.00268157|0.00046683|-0.03404364|-0.01850318|-0.01778899|-0.20774441|-0.06158733|-0.11719828|0.68896273|0.00287611|0.00088643|-0.00088006|-0.02186068|-0.01892730|-0.02771310|-0.00774560|0.00006863|0.00501161|0.02553703|0.01355180|0.02544129|-0.07224127|-0.15517448|-0.02377304|0.03412252|0.65083625|-0.00087567|-0.00104007|-0.00213591|0.01808207|0.00941381|0.01677706|0.00393107|-0.00068020|-0.00183999|0.00362830|-0.00348648|-0.00652099|-0.10936181|-0.02855301|-0.12671354|0.14666329|-0.11022107|0.26897302|0.00001215|-0.00007431|-0.00075131|-0.00170910|-0.00411617|-0.00543640|-0.00195492|0.00027565|0.00129690|0.00116819|-0.00123364|0.00093345|-0.01884742|-0.03265476|0.01934690|-0.12250136|-0.03368331|0.00073215|0.59631395|0.00056350|-0.00039258|-0.00011676|-0.00021944|0.00070068|-0.00122183|0.00057025|-0.00047824|-0.00043740|-0.00250175|0.00222653|0.00326355|-0.00685481|-0.01006569|0.00402408|-0.02140467|-0.20169009|0.04157225|-0.08262205|0.63708886|0.00031230|0.00056111|0.00007975|0.00032474|-0.00133363|-0.00496426|-0.00109790|0.00005270|0.00107419|0.00204225|0.00169525|0.00207325|-0.00703340|-0.02294974|0.00617037|-0.00243649|0.08679868|-0.10826225|0.03446141|0.02683372|0.63581076|0.00009141|-0.00011145|0.00004288|0.00046894|-0.00029253|-0.00069873|-0.00016238|-0.00003416|0.00012820|0.00023434|0.00030655|-0.00015786|-0.00106594|-0.00184163|0.00147479|-0.03679576|-0.01396304|-0.00024834|-0.24224245|-0.01451056|-0.01259405|0.65388810|-0.00012388|0.00003321|-0.00021951|0.00006506|-0.00129955|-0.00184380|-0.00081239|0.00020228|0.00051715|0.00121343|0.00031424|-0.00035826|-0.00212982|-0.00645600|0.00597192|-0.03899929|-0.01079908|-0.00198138|0.01924971|-0.10249622|0.00698347|0.03548681|0.97007284|-0.00006479|-0.00019741|0.00010656|0.00044395|0.00030285|0.00099129|0.00025861|-0.00004854|-0.00023623|-0.00021884|-0.00017246|-0.00067629|-0.00007320|0.00171801|-0.00085603|0.01633582|0.00436271|0.00189092|-0.02595447|0.00139762|-0.09272877|0.04719994|-0.23514505|0.25556460|-0.00018427|-0.00001061|-0.00024242|-0.00010698|0.00055897|-0.00013963|-0.00002210|0.00017439|0.00017050|-0.00073774|-0.00114997|-0.00112560|-0.00281801|0.00503262|0.00276248|-0.04981889|-0.01034263|-0.00634059|-0.02378242|0.03529727|-0.01485525|-0.18274538|0.12211831|-0.05184485|0.82413165|0.00009350|-0.00011959|0.00020988|-0.00005137|-0.00021885|0.00012379|0.00012200|-0.00019395|-0.00007293|0.00096632|0.00053021|0.00093708|0.00342920|-0.00415632|-0.00224402|0.00561919|0.01359165|0.00426564|0.01764879|-0.00695963|0.00842655|0.13625878|-0.54396892|0.16195106|-0.16698378|0.83550591|-0.00007388|-0.00016413|-0.00000252|-0.00075594|0.00015767|0.00002075|-0.00005240|0.00012661|0.00001836|-0.00070671|-0.00017807|0.00024106|-0.00130610|-0.00006604|0.00244818|-0.00035785|0.00123229|0.00818398|-0.01067365|0.01077269|0.00346980|-0.05438665|0.15997081|-0.12310673|0.12740350|-0.22083966|0.22815854|0.00057183|-0.00226706|0.00039665|-0.00570455|-0.00105285|0.00183369|0.00099926|-0.00112027|-0.00073911|-0.00525836|-0.00233966|-0.00271272|-0.03683498|0.02216805|0.00716196|-0.23903511|0.06729614|-0.05256584|0.01818922|0.01969361|0.00048240|0.02051646|-0.01627863|0.00610690|-0.22425676|-0.06448322|0.00302806|0.66704222|-0.00179987|0.00341714|-0.00049623|0.00215607|0.00461237|-0.00054442|-0.00124552|0.00180230|0.00091196|-0.00051761|-0.00408038|-0.00531498|-0.01734550|0.01846660|-0.01098953|0.05321055|-0.18106041|0.04965504|0.01772339|-0.04885351|-0.00703403|-0.02336526|-0.05037449|0.01340254|-0.04908459|-0.14491585|0.00823638|0.03777177|1.11278644|0.00064148|-0.00002498|-0.00015501|0.00116255|-0.00043342|0.00263767|0.00029561|0.00019479|-0.00044423|0.00025603|-0.00137279|-0.00270907|-0.02136530|0.01350396|-0.00428830|-0.00705006|0.00168517|-0.07063887|-0.00938311|0.01658037|-0.01734471|0.00821704|0.01386237|0.00534071|-0.00118099|0.00442163|-0.08818662|0.03392190|-0.14806676|0.24738472|-0.00091640|-0.00148197|0.00117585|0.00031658|-0.00052495|-0.00005209|0.00037008|-0.00026821|0.00005251|0.00004847|0.00093733|0.00025822|0.00182974|0.00121119|0.00140510|0.01311591|0.04725791|-0.00969911|-0.00679079|0.00022876|0.00163785|-0.01131257|-0.00255603|-0.00134131|0.01153030|-0.03455855|0.00586098|-0.15719795|-0.02785257|0.00189447|0.41688982|0.00112114|-0.00144042|0.00086098|-0.00192797|-0.00191774|0.00092295|0.00071082|-0.00148340|-0.00053987|-0.00184993|0.00058095|0.00077199|-0.00361190|0.00106300|0.00318564|0.03563595|-0.05925730|-0.00746970|0.00665905|0.00486790|0.00291607|-0.00819382|0.00518294|-0.00297569|-0.00850036|-0.03663430|0.01215222|-0.11217904|-0.67795113|0.08965778|-0.06959466|0.91783131|0.00042438|0.00218563|-0.00132916|0.00118197|-0.00065982|-0.00179452|-0.00003391|-0.00046925|0.00036435|0.00104453|0.00057585|0.00043768|0.00054245|0.00168592|0.00031686|-0.00405617|0.00773085|-0.00009373|-0.00133519|0.00127968|0.00226157|0.00021699|-0.00124910|0.00208930|0.00086288|0.01125603|0.03182315|0.00918248|0.08232513|-0.07637690|0.01163004|-0.11653059|0.11699254|-0.00015088|-0.00035026|0.00001320|0.00145213|-0.00017063|-0.00049226|0.00011853|-0.00006867|0.00015613|-0.00002249|0.00046218|0.00001779|-0.00072253|0.00020673|0.00068288|0.00206807|-0.00232622|-0.00113317|-0.00067197|-0.00124376|0.00028096|0.00098332|0.00039338|-0.00002360|0.00013750|-0.00500073|0.00017166|-0.00298302|-0.00112685|-0.00024698|-0.25350635|0.08719550|-0.01512390|0.34464440|0.00005595|-0.00040514|0.00008570|0.00036927|-0.00020651|-0.00017966|0.00019132|-0.00020302|0.00001503|-0.00018686|0.00036417|0.00032756|-0.00028951|-0.00025530|0.00033699|-0.00257544|-0.00431458|0.00225863|0.00115245|-0.00042203|0.00021359|0.00339963|0.00053339|0.00022762|-0.00328283|0.00032020|-0.00243663|0.06306451|-0.03765232|0.00669631|0.07532208|-0.11077350|0.01434802|-0.10363489|0.57846999|0.00007251|0.00003388|-0.00011632|-0.00013297|0.00034320|-0.00053912|0.00000914|-0.00000332|0.00006942|0.00005151|0.00018846|0.00016850|0.00143146|-0.00109988|0.00025711|0.00025160|0.00054543|0.01475944|0.00070380|0.00042175|0.00230320|-0.00007232|0.00010711|0.00043549|0.00118278|-0.00125264|-0.00958304|-0.01006991|0.00928978|-0.01032056|-0.01194627|0.00752133|-0.08699317|-0.04452815|-0.02191444|0.72680822|-0.15454346|0.13518059|-0.03086344|-0.00260572|0.00412082|-0.00095648|-0.00013056|0.00036038|0.00046465|0.00053095|-0.00149819|-0.00015118|0.00109441|0.00007723|-0.00065005|-0.00040845|0.00031960|-0.00040984|-0.00002496|-0.00007722|-0.00008117|0.00009390|-0.00000453|0.00002096|-0.00001546|0.00009885|0.00006982|-0.00005451|-0.00056308|0.00061638|-0.00185661|0.00020415|0.00049266|-0.00003409|0.00002063|0.00014206|0.16224719|0.13380191|-0.25186632|0.04070367|0.00107148|-0.00348666|0.00103819|-0.00055513|0.00045781|-0.00032527|0.00127015|0.00108903|0.00022988|-0.00017435|-0.00008693|0.00009642|-0.00132500|0.00078444|0.00066241|-0.00006964|0.00002614|-0.00026897|0.00018991|-0.00005164|0.00011248|-0.00022714|0.00021210|0.00002444|0.00052417|-0.00246958|0.00070442|0.00128805|0.00099202|-0.00187801|0.00032000|0.00028125|-0.00013900|-0.14993350|0.26808505|-0.02768803|0.03652192|-0.06757781|-0.02312320|0.03425109|-0.00667368|0.00035143|0.00102742|0.00164636|-0.00323118|-0.00095204|-0.00761930|0.00014038|-0.00084826|0.00311200|0.00123556|-0.00045303|-0.00032564|0.00016619|0.00007859|0.00016408|-0.00016517|0.00004658|-0.00007329|0.00019300|-0.00026685|0.00001632|-0.00047408|0.00207997|-0.00042425|-0.00011417|-0.00087034|0.00049945|-0.00046222|-0.00037042|0.00002090|0.03322778|-0.04392228|0.07177587|-0.11953242|-0.10826284|-0.05347979|-0.00358249|-0.00375196|-0.00110736|0.00012574|0.00079049|-0.00099919|0.00028957|-0.00091530|-0.00005130|-0.00018105|0.00009625|-0.00039665|-0.00135491|-0.00028559|0.00227122|0.00004902|-0.00014697|0.00009896|0.00002472|0.00000058|0.00000291|-0.00003190|-0.00000735|-0.00001864|-0.00043709|0.00002190|0.00076360|0.00008125|-0.00024281|-0.00026673|0.00003900|-0.00003665|-0.00009169|0.01288828|0.01798799|0.00970780|0.12450688|-0.10854451|-0.25318082|-0.09271243|0.00423646|0.00383057|0.00221033|0.00000364|0.00073808|0.00067510|0.00072495|0.00055472|0.00049584|-0.00056565|0.00031302|-0.00131132|-0.00252774|-0.00042936|0.00304397|0.00010259|0.00041522|0.00009405|-0.00004424|-0.00000314|0.00000937|0.00008200|-0.00002442|-0.00000877|0.00095924|-0.00066135|-0.00027719|0.00029432|0.00037126|0.00009461|0.00005419|0.00009207|0.00004955|-0.01505002|-0.02208616|-0.01082091|0.12123694|0.27097067|-0.05042536|-0.08688087|-0.10123274|-0.01827271|-0.03312127|-0.01181279|-0.00017656|0.00336926|-0.00732753|-0.00100000|-0.00146434|0.00105823|0.00082285|-0.00152273|0.00113086|-0.00004798|0.00143627|0.00072711|0.00031729|0.00051414|-0.00012187|0.00005157|0.00000351|0.00007063|-0.00001054|0.00002755|-0.00005942|0.00125720|-0.00096551|-0.00025277|0.00000538|0.00055687|0.00006716|-0.00005492|0.00006708|0.00005534|0.00438406|0.00516362|0.00281951|0.05746600|0.09721146|0.10701459|-0.27767649|-0.02868850|0.11447671|0.00647757|0.00121908|-0.00452915|-0.00033741|-0.00030262|0.00019720|0.00076093|-0.00097330|0.00135395|0.00110198|0.00076630|-0.00360181|-0.00033571|-0.00022050|0.00097725|0.00011655|0.00027922|-0.00000450|-0.00008325|0.00000247|-0.00000583|0.00005035|-0.00013291|-0.00004477|0.00039942|0.00053056|-0.00036693|-0.00056734|-0.00010816|0.00084566|-0.00026625|-0.00014839|0.00006880|-0.01738217|-0.00366881|0.00889699|-0.01368546|-0.00096417|0.00687212|0.30063267|-0.02844574|-0.06342198|0.01469452|-0.00421594|-0.00176660|0.00197194|0.00032711|-0.00015377|-0.00024226|-0.00065066|0.00036712|-0.00088837|-0.00068715|-0.00003256|0.00128998|-0.00050578|0.00038227|0.00160318|0.00006377|0.00023044|-0.00010498|0.00007771|-0.00002987|0.00005500|-0.00006707|0.00008915|0.00002566|0.00093337|-0.00147852|0.00006813|0.00076543|0.00059386|-0.00079445|0.00017498|0.00018302|-0.00005829|0.02677750|0.00679373|-0.01581475|-0.02682116|-0.00153670|0.01606112|0.03256042|0.05984333|0.11235070|0.01410740|-0.11778092|0.03657392|0.00629331|-0.01665718|0.00066787|0.00034238|0.00116239|0.00017624|-0.00033553|0.00299563|-0.00194686|0.00023586|-0.00988897|-0.00111411|-0.00105359|0.00143129|0.00014592|-0.00027536|0.00010849|-0.00004335|0.00011116|-0.00000910|0.00016077|-0.00009569|-0.00001591|-0.00051232|0.00089348|-0.00022885|0.00002332|-0.00056249|0.00040179|0.00008113|-0.00003325|-0.00001357|-0.00619444|-0.00262350|0.00349863|-0.01367752|0.00031850|0.00809194|-0.12526869|-0.01747532|0.12685434|-0.00008724|0.00040187|0.00095280|-0.01184285|0.00011924|0.00824342|-0.27478963|-0.05376901|0.10435530|0.00040489|-0.00090922|-0.00007175|-0.00092363|-0.00156837|-0.00216966|0.00023180|-0.00118031|0.00039490|-0.00028324|0.00030015|-0.00031989|-0.00005243|-0.00015697|0.00005304|-0.00003468|-0.00001596|0.00002708|0.00040094|-0.00019628|0.00015625|-0.00016114|0.00004417|-0.00027087|-0.00016482|-0.00006640|-0.00002351|-0.00013823|-0.00000255|0.00002782|0.00037128|0.00002522|-0.00020647|0.00056237|-0.00010692|-0.00087749|0.29724774|0.00037444|0.00075733|0.00096268|-0.02630659|-0.00375388|0.01689759|-0.05207162|-0.07351513|0.02447679|0.00111441|0.00174261|0.00092336|-0.00520427|-0.00352348|-0.00394371|-0.00039078|-0.00239374|0.00106753|-0.00066239|0.00038770|-0.00054169|-0.00002890|-0.00029059|0.00012790|-0.00010709|0.00007678|-0.00004337|0.00082150|-0.00110374|0.00015963|0.00019387|0.00072423|0.00005487|0.00000944|0.00010342|-0.00002202|0.00007790|0.00000627|-0.00015724|0.00029476|-0.00005900|0.00016770|0.00016105|0.00015196|-0.00072569|0.06140438|0.07364507|0.00007085|0.00041941|0.00034074|-0.01526222|-0.00219045|0.00789132|0.10654956|0.02612670|-0.11358632|0.00056251|0.00101212|0.00014096|-0.00163014|-0.00214327|-0.00101480|-0.00030258|-0.00074349|0.00091613|-0.00032353|0.00003523|-0.00007341|-0.00002125|-0.00012296|0.00004272|-0.00001830|0.00003440|-0.00001270|0.00004287|-0.00019555|-0.00003122|0.00002629|0.00011435|0.00003840|-0.00000035|0.00001129|0.00000153|-0.00006930|0.00003672|-0.00002951|0.00008885|0.00009978|0.00035350|-0.00031397|-0.00036137|-0.00028301|-0.11845488|-0.02722313|0.11652651|-0.00125472|-0.00285127|-0.00018733|-0.00352595|0.00369643|-0.01527362|-0.06473989|0.00705514|-0.04088552|0.00099809|0.00045324|0.00004072|-0.00008453|0.00048322|-0.00068631|0.00011514|0.00031931|0.00055401|0.00004066|-0.00006596|0.00002064|-0.00001355|0.00001916|0.00000110|0.00002165|-0.00002023|-0.00000533|-0.00016295|0.00022924|-0.00015827|-0.00009578|-0.00015716|0.00020809|-0.00004887|-0.00004555|0.00001430|0.00018133|-0.00010135|0.00043047|0.00029147|-0.00018182|-0.00104863|0.00036721|0.00001785|-0.00030593|0.00802951|-0.00536266|0.03339841|0.06240450|-0.00291455|-0.00540126|-0.00096835|-0.00439848|0.00528341|-0.03249071|0.00798761|-0.06792029|0.05162564|0.00032657|0.00133457|-0.00147168|0.00092792|0.00115890|-0.00058959|-0.00003460|0.00037017|0.00051766|0.00003782|-0.00004864|0.00009842|0.00001665|0.00002229|-0.00000649|0.00002949|0.00000801|-0.00001795|0.00001821|0.00008079|-0.00005777|0.00006558|0.00007988|0.00005136|0.00004731|0.00003167|0.00001332|-0.00022608|0.00018928|-0.00005230|-0.00047686|0.00030894|-0.00192120|0.00019843|-0.00003749|0.00022844|0.00189305|-0.00206550|0.00719359|-0.00634048|0.07054618|-0.00172324|-0.00389785|0.00026552|-0.00095276|0.00501859|-0.01589874|-0.04384798|0.04585704|-0.33579131|0.00032911|0.00083884|-0.00016867|0.00104777|0.00122118|0.00136648|0.00003338|0.00010939|0.00081995|-0.00005850|0.00004405|0.00000926|-0.00002543|-0.00002400|0.00000919|0.00001514|-0.00001886|-0.00000512|0.00002168|0.00015920|-0.00022045|-0.00011771|-0.00007318|0.00023530|-0.00006318|-0.00003828|0.00001910|0.00012981|0.00011301|0.00026033|-0.00017196|0.00010537|-0.00114151|0.00009907|0.00010279|0.00040638|-0.00189526|0.00231523|-0.01308247|0.04727944|-0.05190664|0.36312383|0.00020426|0.00026708|0.00052730|0.01123286|-0.01505096|0.00201359|-0.17001108|0.14159625|-0.01793569|-0.00044179|-0.00389191|-0.00228911|0.00153528|0.00243611|0.00042907|0.00010730|0.00051329|-0.00008903|0.00007921|-0.00015982|-0.00000373|0.00005342|0.00005172|0.00001308|-0.00001074|0.00006175|-0.00002015|0.00018085|-0.00041634|0.00005537|-0.00016188|0.00020531|-0.00002902|0.00015630|0.00009444|0.00001613|0.00022191|0.00000995|-0.00007045|0.00010087|-0.00007069|0.00023023|-0.00004779|0.00008433|-0.00007756|-0.01886042|0.02564758|-0.00458625|-0.00263975|0.00243057|-0.00055363|0.17868112|0.00048091|0.00071989|0.00137030|0.02052294|-0.02766618|0.00426154|0.13794194|-0.23296668|0.02253068|-0.00112997|-0.00304091|-0.00556266|-0.00079107|0.00306477|0.00159383|-0.00085937|0.00063235|-0.00009882|-0.00000697|0.00001094|-0.00019836|0.00017086|-0.00000253|0.00009289|-0.00018166|0.00020333|-0.00013593|0.00075808|-0.00186785|0.00017039|0.00050935|0.00116523|0.00025546|0.00030695|0.00026835|-0.00000909|-0.00039172|0.00055110|-0.00099303|-0.00034020|0.00033873|0.00011638|-0.00007813|0.00003609|0.00001821|-0.00559933|0.00957251|-0.00211609|0.00281974|-0.00350520|0.00087950|-0.15303738|0.25332791|0.00102938|-0.00016942|0.00074823|0.01166570|-0.01413933|0.00203449|-0.01893096|0.02371926|-0.06350461|-0.00136671|-0.00174716|-0.00190989|-0.00016143|0.00117244|0.00069087|0.00007394|0.00009434|-0.00001181|0.00002701|-0.00003947|-0.00001130|0.00002305|0.00001783|0.00000163|-0.00002076|0.00002597|0.00001966|0.00001467|-0.00003977|0.00011873|0.00006887|0.00000883|-0.00037987|0.00005166|0.00002905|-0.00000309|-0.00039510|-0.00009899|-0.00044819|-0.00011896|0.00026191|0.00020770|-0.00005322|-0.00006099|-0.00000273|0.00989224|-0.01460414|0.00186247|-0.02372566|0.02939189|-0.00109599|0.02183601|-0.02302592|0.06093919|0.00163915|-0.00216554|0.00006743|0.00304321|0.00434720|0.01135647|0.00017608|0.00115938|-0.00105982|-0.16171932|0.02268199|-0.14856307|-0.02095672|0.00182124|-0.02307118|-0.00387472|0.00769943|-0.00160967|0.00033741|0.00108972|-0.00054651|-0.00013053|-0.00014107|0.00011123|-0.00046272|0.00039285|0.00000546|-0.00015133|-0.00264029|-0.00038430|0.00004287|0.00057850|-0.00011135|-0.00012199|0.00008270|-0.00000273|0.00008463|-0.00035252|0.00096523|-0.00008318|-0.00005876|-0.00004880|-0.00007502|0.00005682|-0.00008111|0.00006719|0.00021574|0.00026539|0.00004146|0.00014342|0.00004785|0.00001247|0.00019740|0.00013226|0.18037700|0.00307758|-0.00375622|-0.00150626|0.01797661|0.00248549|0.02110591|-0.00141235|0.00273496|0.00129901|0.02395533|-0.06789789|0.02668301|0.00975797|-0.00591016|-0.00052148|-0.00183247|0.00025800|0.00136903|0.00020524|-0.00026946|-0.00047681|0.00006204|0.00006620|0.00010845|-0.00008737|0.00007973|-0.00010373|-0.00042223|-0.00017576|0.00055021|0.00012558|0.00003979|-0.00020093|0.00012030|0.00007090|-0.00000052|0.00018751|-0.00007715|0.00179633|0.00015965|0.00013204|0.00027621|-0.00026578|0.00011735|0.00008015|-0.00033230|-0.00048398|-0.00006447|-0.00000269|-0.00058949|-0.00076952|0.00007809|0.00043977|-0.00028468|-0.03396304|0.06479102|-0.00252437|0.00288813|0.00084753|-0.00693440|-0.00533661|-0.01181146|0.00069345|-0.00200861|0.00059773|-0.15658925|0.02848907|-0.25692096|0.00946562|0.00291482|0.01764931|0.00308648|-0.00343848|0.00134154|-0.00010196|-0.00016274|-0.00034127|-0.00000609|0.00001572|0.00005580|0.00019552|-0.00018437|-0.00001128|0.00061418|0.00101142|0.00031949|-0.00010467|-0.00013416|0.00011317|-0.00004251|-0.00006653|-0.00001440|0.00007188|0.00047618|-0.00115368|0.00025502|-0.00000527|0.00035464|0.00014222|-0.00007209|-0.00002497|0.00005271|0.00023439|0.00009105|0.00034259|0.00033243|0.00079420|-0.00003195|-0.00021002|0.00016320|0.16253937|-0.02988985|0.26088123|0.00017577|0.00217687|-0.00011773|-0.00623878|-0.00537443|-0.00835471|0.00194393|-0.00225821|0.00057557|-0.06029242|-0.02143231|-0.02776206|-0.00125302|0.03700647|0.02430361|0.00628030|-0.00294276|0.00029057|-0.00082619|-0.00002675|0.00046443|-0.00010369|-0.00024814|-0.00012916|0.00023273|-0.00006941|0.00009823|0.00039662|0.00103041|-0.00005524|-0.00027333|-0.00022335|-0.00017244|-0.00016606|-0.00014207|-0.00005468|-0.00003246|0.00015388|-0.00028459|0.00005532|0.00040208|0.00008095|-0.00007220|-0.00010635|-0.00020160|0.00002007|0.00006857|0.00004562|0.00003225|0.00031522|0.00038356|-0.00031555|-0.00100264|-0.00002334|0.00205721|-0.01730656|-0.01122343|0.05901808|-0.00248925|0.00168521|-0.00151018|-0.00024187|-0.01828863|-0.02200611|0.00431827|-0.00239938|0.00142373|-0.01055326|-0.23577112|-0.15350065|-0.00020243|-0.00602285|0.00220933|-0.00043811|0.00111769|0.00008504|0.00022743|-0.00051203|-0.00009466|0.00022489|0.00026098|0.00005810|0.00004621|0.00003455|-0.00010071|0.00005673|0.00006730|0.00014865|0.00009959|0.00004568|0.00020534|0.00010206|0.00006745|0.00000315|0.00015799|0.00052980|-0.00030548|0.00066784|0.00024898|0.00106233|-0.00001170|-0.00023930|0.00062048|-0.00026979|0.00006216|0.00007815|0.00003812|0.00019589|-0.00002323|-0.00088890|-0.00136817|-0.00053860|-0.00079113|0.00774145|0.00485799|0.01051853|0.25231181|0.00117622|-0.00023311|0.00031404|0.00217713|0.01485074|0.01567273|-0.00286018|0.00278567|-0.00099762|-0.02236457|-0.15587481|-0.18931325|0.00268696|-0.01340038|-0.01229834|-0.00275105|0.00254044|0.00235534|0.00019789|-0.00109447|0.00000295|0.00032826|0.00032976|0.00011819|-0.00026993|0.00020310|-0.00017765|-0.00082096|-0.00003917|0.00028895|0.00001560|0.00018931|0.00008588|0.00004150|0.00003234|-0.00005230|0.00016357|-0.00008372|0.00038252|-0.00025647|0.00050452|0.00000160|0.00020789|0.00006224|-0.00011738|0.00008547|-0.00011224|-0.00006039|0.00000068|0.00004852|0.00012966|0.00061034|0.00114828|0.00054614|-0.00020697|-0.01948573|-0.01291291|0.02173269|0.16708370|0.19588738|0.00005413|0.00007222|0.00007032|-0.00010901|0.00005993|-0.00020584|-0.00002075|0.00000394|-0.00003016|-0.00039460|-0.00000787|0.00058758|0.00156254|0.00080303|0.00086709|0.00515768|-0.00766987|0.01417202|-0.07536523|0.00383190|-0.06782437|-0.00647856|0.00442867|-0.03779942|-0.00390591|-0.00030211|-0.00002715|-0.00487609|0.00016244|-0.00193722|0.00119894|-0.00038140|0.00117901|-0.00001628|0.00004416|-0.00064760|-0.00000867|-0.00000990|-0.00001697|-0.00003347|-0.00003495|-0.00006974|-0.00002465|-0.00004691|-0.00004468|0.00002106|0.00001317|0.00000090|-0.00000884|-0.00002013|-0.00000365|-0.00000012|0.00000712|-0.00000074|-0.00005708|-0.00008959|-0.00000004|0.00003140|0.00001592|0.00000488|0.07694229|0.00020631|0.00000075|0.00011844|-0.00024700|0.00011407|-0.00019414|-0.00000656|-0.00002028|-0.00004493|-0.00056852|-0.00022032|0.00008667|0.00376705|0.00336179|-0.00039577|0.00937044|-0.01224889|0.03964599|-0.00080788|-0.06066195|-0.00140580|0.00249995|0.00059215|-0.00040384|-0.00042132|0.00011574|0.00094415|-0.00563400|0.00300562|0.00323781|0.00076131|-0.00235289|-0.00006122|0.00020265|-0.00023621|-0.00102609|0.00003042|0.00006351|-0.00004833|-0.00003149|-0.00014017|-0.00013667|-0.00010489|-0.00005163|-0.00010016|0.00001841|0.00002256|-0.00000357|-0.00003848|-0.00001524|-0.00002197|0.00001851|0.00004227|0.00001258|-0.00007309|0.00001917|0.00009516|0.00002646|-0.00002354|-0.00006602|-0.00245994|0.06653116|-0.00024311|-0.00018031|-0.00008802|-0.00003162|-0.00011873|0.00063112|0.00007814|-0.00001907|-0.00000497|0.00063201|-0.00044683|-0.00053375|-0.00177860|-0.00084943|0.00222765|-0.00346970|0.01189673|-0.01375609|-0.06105608|0.00487140|-0.31835369|-0.00279567|-0.00017456|0.00169935|0.00018844|-0.00113734|0.00049140|0.00412182|-0.00183623|-0.00154446|-0.00018159|0.00147090|-0.00014789|-0.00021129|0.00016667|0.00038911|-0.00000881|-0.00005044|0.00009260|-0.00002357|0.00007843|0.00010293|0.00007981|0.00000147|0.00008979|0.00000850|0.00001295|-0.00000537|0.00001351|0.00000401|0.00001437|-0.00002779|-0.00005750|-0.00001422|0.00023734|0.00007171|0.00004564|0.00003910|0.00001190|-0.00015764|0.07025909|-0.01214812|0.34717282|-0.00004577|0.00005676|-0.00001605|0.00016501|0.00014785|-0.00010486|-0.00003228|0.00005144|-0.00004800|-0.00042564|0.00036819|0.00057723|0.00143657|-0.00038000|-0.00002884|0.00899258|-0.01422888|-0.00598086|-0.11626193|0.09487734|0.06027888|-0.01231046|0.03075729|0.01838458|-0.00515008|-0.00057063|-0.00108513|-0.00421378|-0.00088015|0.00141808|0.00143894|-0.00011652|-0.00070646|0.00009642|0.00003156|0.00048530|-0.00000060|-0.00002284|0.00002216|0.00003165|0.00001148|0.00000153|0.00001200|-0.00002997|0.00000451|0.00000645|-0.00000323|0.00000752|0.00000489|-0.00000728|-0.00000073|-0.00002145|-0.00000384|-0.00000365|0.00002143|0.00005557|0.00000653|-0.00075661|-0.00061999|0.00013725|0.00662911|-0.00710100|-0.00466552|0.11940840|-0.00013120|-0.00003191|0.00005628|0.00104576|0.00004771|-0.00045974|-0.00031202|0.00010343|0.00007230|0.00018100|0.00010095|-0.00089255|0.00049749|-0.00144372|0.00017868|0.01283801|-0.03116671|-0.00350986|0.08920304|-0.21612166|-0.10427787|0.00162211|0.00384053|0.00309381|-0.00052166|0.00112435|-0.00107222|-0.00591153|-0.00411477|-0.00192605|0.00177700|-0.00121802|-0.00010080|0.00014196|-0.00028964|0.00088519|0.00002963|0.00006415|-0.00004130|0.00003986|-0.00010343|-0.00002375|-0.00004873|-0.00002539|0.00005125|-0.00006585|-0.00007744|-0.00000752|0.00002107|0.00000496|0.00000657|0.00004626|0.00008309|0.00001635|-0.00018879|0.00020359|0.00015606|-0.00057353|0.00027932|0.00061016|0.00039377|0.00224395|-0.00178845|-0.10145057|0.24668477|-0.00007001|0.00010713|0.00012550|0.00026714|-0.00010839|0.00031330|-0.00007180|0.00004610|-0.00005235|0.00025883|-0.00018060|-0.00079136|-0.00041651|0.00019324|0.00045320|-0.01020775|0.01645338|0.00996233|0.06075457|-0.10806327|-0.12908245|-0.00330479|0.00583328|0.00401652|-0.00046750|0.00032207|0.00014918|0.00145401|0.00385916|0.00096466|-0.00080326|0.00043865|-0.00025347|-0.00005750|0.00013091|-0.00045831|-0.00002176|-0.00001661|-0.00003010|-0.00001431|-0.00004349|-0.00005192|-0.00001200|-0.00003767|0.00000711|0.00000595|-0.00000307|0.00000434|0.00001219|-0.00001125|-0.00000251|0.00001287|0.00003018|0.00001257|-0.00004224|-0.00001893|-0.00002377|0.00030494|0.00031852|0.00039437|0.01729311|-0.02813863|-0.01765735|-0.06542793|0.10914363|0.13260010|-0.00005259|-0.00000516|-0.00007225|0.00006230|-0.00028485|-0.00062983|-0.00020915|0.00006082|0.00019655|0.00044994|-0.00001621|-0.00007198|-0.00074140|-0.00171462|0.00198110|-0.00525163|0.00057957|-0.00281812|-0.00479897|-0.02514492|0.00756802|-0.18588916|-0.15100680|0.02824269|0.01520309|0.01051161|-0.00250255|-0.00303150|0.00299929|-0.00311280|0.00138332|0.00022146|0.00069693|-0.00000565|-0.00021203|-0.00019970|0.00000327|-0.00002530|0.00003469|0.00001568|0.00001025|-0.00001963|-0.00001539|-0.00001834|0.00006159|-0.00006499|-0.00010586|-0.00003378|0.00000941|0.00001328|-0.00001028|0.00001113|-0.00003364|-0.00000314|-0.00006083|0.00000714|-0.00001324|0.00001029|0.00004953|-0.00001155|-0.00013481|0.00013007|-0.00090469|0.00059624|0.00101534|0.00069887|0.18223931|0.00000082|-0.00001477|0.00002362|0.00015968|0.00012585|0.00013855|0.00006077|-0.00002350|-0.00003098|-0.00012880|-0.00001046|-0.00002835|0.00008097|0.00077168|-0.00045894|0.00231331|0.00088644|0.00076838|0.00314383|0.00715866|-0.00129727|-0.14765780|-0.26505938|0.04639812|-0.02276652|-0.01313706|0.00418897|0.00362648|-0.00359711|0.00582174|-0.00202275|-0.00114084|-0.00122799|0.00021909|0.00041288|0.00038461|0.00001296|0.00001842|-0.00002832|0.00000322|-0.00001044|-0.00002180|-0.00002290|0.00000276|-0.00000046|-0.00000338|0.00002367|0.00000537|-0.00000507|0.00000058|-0.00000646|0.00000699|0.00002321|0.00000031|-0.00002603|0.00000795|0.00000325|0.00000627|-0.00001281|-0.00000886|-0.00031174|0.00002145|0.00014201|-0.00120303|-0.00003063|-0.00030000|0.16375476|0.27328602|-0.00001196|0.00007989|-0.00006220|-0.00008436|0.00000738|0.00006441|-0.00001387|0.00002145|0.00000509|-0.00003618|-0.00003358|-0.00001751|-0.00049242|0.00011976|0.00021916|-0.00115914|0.00030875|0.00102286|-0.00227210|-0.00582058|0.00454526|0.02683920|0.04534343|-0.05901446|0.00839907|0.00826188|0.00885430|-0.00384440|0.00579559|0.01205651|0.00140963|0.00033456|-0.00385889|0.00017970|-0.00010743|0.00127675|-0.00000229|-0.00004560|0.00001857|0.00000066|-0.00001110|-0.00002550|0.00001297|-0.00002556|0.00001176|-0.00000458|-0.00000912|-0.00001455|-0.00000462|-0.00000697|-0.00001079|-0.00000575|-0.00001271|-0.00000249|-0.00002267|0.00000632|0.00000059|0.00001834|-0.00001240|-0.00001822|0.00138596|0.00015944|-0.00035147|-0.00055393|0.00022784|0.00004772|-0.03017280|-0.05239146|0.04147404|-0.00004165|-0.00003005|-0.00001951|0.00013701|0.00011287|-0.00007344|-0.00002203|0.00002883|0.00004327|-0.00014494|-0.00022684|-0.00029180|-0.00086831|0.00107352|0.00042706|-0.00259480|-0.00267854|-0.00089041|0.00051743|-0.00144387|-0.00104059|0.00278709|-0.00122657|0.00009500|-0.35703225|0.09764627|-0.06504160|-0.01268321|0.01359553|-0.00457241|-0.00083107|-0.00090088|0.00032791|0.00111883|0.00207944|-0.00038596|0.00001148|-0.00001718|0.00001135|-0.00000206|0.00000301|-0.00002256|-0.00001354|-0.00000902|0.00003130|-0.00002239|-0.00002585|-0.00000446|0.00000320|0.00000807|0.00000095|0.00000763|-0.00001897|-0.00000178|-0.00013785|-0.00000985|0.00005029|0.00002040|0.00002660|-0.00000603|-0.00030263|0.00020840|-0.00005647|0.00035438|0.00016455|-0.00006109|0.00020128|0.00087241|0.00050392|0.36870075|-0.00001561|0.00000960|-0.00001455|0.00009462|0.00011101|-0.00006578|-0.00002503|0.00003432|0.00001657|-0.00033105|-0.00010956|-0.00023615|-0.00088471|0.00104370|0.00034356|-0.00479684|-0.00296052|0.00026746|-0.00058578|-0.00439109|0.00526351|0.02982918|-0.00009130|0.00537927|0.10005742|-0.10085299|0.02736657|-0.01589058|0.01628863|-0.00528836|0.00077695|-0.00078484|0.00029239|0.00025310|-0.00306850|0.00023359|0.00001876|-0.00001225|0.00000701|0.00000540|-0.00001192|-0.00001736|-0.00000794|-0.00000838|0.00001174|-0.00000838|-0.00001491|-0.00000374|-0.00000056|0.00000205|-0.00000141|0.00000664|-0.00001260|0.00000298|-0.00013946|-0.00002080|0.00004816|0.00000626|0.00001818|0.00000508|0.00152857|0.00007102|-0.00004888|0.00030774|0.00005079|-0.00004965|-0.00076396|0.00041143|-0.00219914|-0.10949109|0.09444760|0.00005112|0.00003415|0.00000191|-0.00017142|-0.00003583|-0.00001240|0.00001885|-0.00001627|-0.00000895|-0.00006724|0.00010225|0.00022911|0.00054062|-0.00039763|0.00000788|0.00043515|0.00188728|0.00180185|-0.00157804|0.00565447|0.01329793|-0.01005813|0.00190462|0.00448158|-0.06484444|0.02641763|-0.06195814|0.00369778|-0.00162679|0.00236579|-0.00012051|-0.00033416|-0.00123371|0.00005948|0.00063127|-0.00050673|-0.00000024|0.00000819|0.00000189|0.00000299|-0.00001807|-0.00000636|-0.00000460|-0.00000106|-0.00001894|0.00000844|0.00000878|-0.00000239|-0.00001111|-0.00000367|-0.00001003|-0.00000268|0.00000170|0.00000420|0.00003431|-0.00003316|-0.00003358|0.00002477|-0.00004954|-0.00006607|0.00279859|-0.00021836|-0.00023042|-0.00274353|-0.00039051|-0.00063766|0.00110168|-0.00210689|-0.00634629|0.07084565|-0.03131820|0.04859029|-0.00009793|0.00005426|0.00001961|0.00010312|0.00005961|0.00015910|-0.00011196|0.00017403|-0.00001088|0.00007368|-0.00013392|-0.00013716|0.00002864|0.00008009|-0.00014041|-0.00069470|0.00218157|-0.00223511|-0.00040918|-0.00019723|-0.00062394|-0.00000646|-0.00013786|0.00010828|0.00003311|0.00018405|0.00192565|-0.00472702|-0.00250200|0.00351351|-0.01228358|0.03728299|0.03264941|-0.03799801|0.00397774|-0.02261124|-0.00004160|-0.00000544|0.00006467|0.00002895|-0.00003708|-0.00006076|0.00000416|-0.00001639|0.00002935|0.00004596|-0.00006933|-0.00002383|-0.00000043|-0.00001514|0.00000318|-0.00004793|-0.00012358|0.00003357|-0.00002453|-0.00001548|0.00001982|0.00004219|-0.00002658|-0.00000283|0.00017909|0.00029142|-0.00012991|-0.00009618|-0.00006743|0.00005064|0.00005930|-0.00011869|-0.00022241|0.00034096|0.00002822|-0.00039862|0.05608026|-0.00001943|0.00003159|-0.00002485|-0.00012081|0.00002908|-0.00002818|-0.00002026|0.00002043|-0.00002867|0.00000099|0.00001710|0.00008119|0.00002381|-0.00020214|0.00004240|0.00024607|-0.00169435|0.00181691|0.00058529|0.00031246|0.00034073|-0.00016939|-0.00010448|0.00013246|0.00029004|-0.00046019|-0.00066288|0.00453522|0.00114511|-0.00270410|0.00488661|-0.02004730|-0.01280828|0.03715717|-0.20860958|-0.21679654|-0.00000981|-0.00003317|0.00004798|-0.00002172|0.00001119|0.00003393|0.00004005|-0.00000588|-0.00000238|0.00001105|0.00000482|0.00000870|0.00002394|-0.00001351|0.00002219|-0.00002115|-0.00001706|-0.00001189|0.00004472|-0.00001085|-0.00000489|-0.00000954|-0.00000520|0.00000049|-0.00001931|-0.00026968|0.00015161|-0.00002595|-0.00002640|0.00000330|-0.00001991|-0.00005554|0.00001118|0.00001789|-0.00014995|-0.00034297|-0.04227490|0.21127155|0.00001902|-0.00002095|0.00001827|0.00006793|0.00002020|0.00000076|0.00001476|-0.00001340|0.00002456|-0.00000982|-0.00000834|-0.00004251|0.00003846|0.00002934|-0.00008528|-0.00073287|0.00097666|-0.00057648|-0.00017790|-0.00016007|-0.00010828|0.00007407|0.00018183|-0.00016150|-0.00005820|-0.00041092|-0.00033078|-0.00030087|0.00053946|0.00142005|-0.00430166|0.00812529|0.01217084|0.02394637|-0.18281781|-0.32659359|-0.00000717|0.00000144|-0.00003816|0.00000399|0.00000895|-0.00002671|-0.00001839|0.00000042|0.00000351|-0.00000357|-0.00000786|-0.00001250|-0.00002684|0.00001934|-0.00001907|0.00000381|-0.00000143|0.00003017|-0.00002787|0.00000709|0.00000222|0.00001131|-0.00000025|-0.00000700|-0.00000219|0.00012629|-0.00011283|0.00000632|0.00002115|-0.00001364|0.00000353|0.00004717|0.00005238|0.00006474|0.00005922|0.00012539|-0.01901038|0.20198455|0.34763405|-0.00013986|0.00033772|-0.00009801|0.00006649|0.00013265|-0.00014887|-0.00011105|0.00013520|0.00004761|0.00015623|-0.00003237|-0.00004596|0.00049710|-0.00016287|-0.00021726|-0.00113769|0.00266671|0.00256070|-0.00035364|-0.00011193|0.00048896|0.00025087|0.00003539|0.00007737|-0.00022410|-0.00083691|-0.00153195|-0.00708865|0.00010473|-0.00309866|-0.00229144|0.03812893|-0.03937934|-0.05393522|-0.03926524|0.08633734|-0.00007981|-0.00012683|0.00015455|0.00002432|-0.00006675|-0.00002454|0.00009746|-0.00011186|0.00003903|0.00001643|-0.00005826|-0.00001395|0.00003448|-0.00002558|0.00003336|-0.00002612|-0.00011683|-0.00004291|-0.00004429|-0.00002890|0.00003622|0.00001373|-0.00001668|-0.00001578|-0.00003952|-0.00003724|-0.00007333|0.00012072|0.00025445|-0.00013467|0.00001152|0.00000515|0.00015402|0.00049626|0.00002811|0.00038112|-0.00047992|-0.00513069|0.00042339|0.06416571|0.00004925|0.00002695|-0.00004285|-0.00015469|0.00002798|0.00018709|-0.00002419|0.00007069|-0.00005882|-0.00004254|-0.00003220|-0.00001542|-0.00008667|0.00012698|-0.00014528|-0.00044699|-0.00124930|-0.00097236|0.00023884|-0.00006272|-0.00029404|0.00006773|-0.00009387|0.00001922|0.00004789|-0.00024962|0.00063161|0.00535197|-0.00131555|0.00268804|0.00235876|-0.01853637|0.01363930|-0.01344497|-0.21476243|0.22230147|0.00007924|0.00002577|0.00008799|0.00003603|-0.00007857|0.00000808|-0.00001016|-0.00000299|-0.00002894|0.00003347|0.00000031|-0.00000023|-0.00000320|-0.00002096|-0.00001154|-0.00001772|-0.00003235|0.00000662|0.00002861|0.00000434|-0.00000913|0.00000504|-0.00002340|0.00000414|-0.00001112|0.00003558|-0.00002392|-0.00002135|-0.00018185|0.00009201|-0.00000152|-0.00005848|-0.00000182|0.00024133|0.00000128|0.00024277|0.00142706|0.01886194|-0.02870737|0.00429989|0.21751884|0.00002178|-0.00004838|0.00001083|-0.00012960|0.00007910|0.00011567|-0.00004143|0.00008516|-0.00004219|-0.00002631|-0.00004396|-0.00002215|0.00006431|-0.00003516|-0.00004642|0.00017533|-0.00023541|-0.00008751|0.00001878|0.00004835|0.00002139|-0.00001814|-0.00008193|-0.00005210|-0.00011508|-0.00036099|-0.00044477|-0.00129807|-0.00101015|0.00026900|0.00331824|0.00026244|0.00456387|0.03675756|0.18238638|-0.31136991|0.00002764|0.00008132|0.00008459|0.00001215|-0.00005318|0.00000338|-0.00000677|0.00000070|-0.00002154|0.00003403|-0.00001613|-0.00000102|0.00000302|-0.00002005|-0.00000693|-0.00002501|-0.00004778|0.00000492|0.00001594|0.00000263|-0.00000908|0.00000529|-0.00002460|-0.00000101|-0.00000879|-0.00001289|0.00000139|0.00003561|-0.00002865|0.00000399|-0.00000933|-0.00001435|0.00007296|0.00006666|-0.00005389|0.00016385|0.00703066|0.02873801|-0.03335388|-0.04590847|-0.20959661|0.34014269| 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| 73.8633 106.0912 110.7886 124.9367 186.6951 205.0089 223.2541 249.9671 279.4108 321.4372 336.6092 395.4315 404.9377 421.2697 459.1446 533.9068 646.0326 672.4523 744.4359 786.0952 795.8812 879.5986 903.6265 953.3099 997.5540 1027.8589 1048.7167 1059.3713 1094.0342 1097.0014 1131.8902 1143.7946 1164.4398 1203.0153 1213.1575 1248.0234 1259.5240 1264.9998 1278.3604 1316.0116 1379.8155 1403.7607 1426.1495 1435.4898 1497.3090 1520.6372 1553.8563 1566.6988 1573.8606 1624.5438 1635.6532 1639.3504 1655.4319 1657.7834 1667.3616 1813.8225 1837.1673 1940.7825 3201.1982 3204.6846 3215.4034 3242.8107 3269.1100 3286.6735 3290.9145 3302.3477 3320.0406 3384.4644 3404.9595 3473.9042 3699.5500 3773.8006 3.0351 3.2447 3.2966 1.2084 2.5988 1.0811 1.3286 2.5945 2.9725 2.9398 3.7819 3.2177 2.6573 2.5216 2.6608 2.9893 4.1393 3.2748 2.6030 4.0862 4.3185 2.5042 2.9801 3.6564 1.5283 2.5010 2.6388 1.2636 2.4913 1.4066 1.2802 1.9108 2.0394 1.3532 1.5813 1.4724 1.4281 1.7601 2.7236 1.1278 4.0682 2.1005 1.6350 1.5973 2.1185 2.1388 2.2491 1.5201 1.3310 1.0492 1.0495 1.0638 1.0542 1.1071 1.4165 2.5467 1.6784 4.9451 1.0632 1.0397 1.0452 1.1018 1.0999 1.0916 1.1031 1.0551 1.1038 1.1200 1.0947 1.1016 1.0512 1.0926 0.0098 0.0215 0.0238 0.0111 0.0534 0.0268 0.0390 0.0955 0.1367 0.1790 0.2525 0.2964 0.2567 0.2637 0.3305 0.5021 1.0179 0.8725 0.8499 1.4877 1.6117 1.1416 1.4337 1.9578 0.8961 1.5568 1.7099 0.8355 1.7569 0.9973 0.9664 1.4729 1.6293 1.1539 1.3712 1.3512 1.3348 1.6595 2.6224 1.1508 4.5635 2.4387 1.9593 1.9392 2.7984 2.9139 3.1995 2.1983 1.9425 1.6315 1.6543 1.6844 1.7021 1.7927 2.3202 4.9365 3.3377 10.9744 6.4190 6.2909 6.3667 6.8262 6.9257 6.9472 7.0386 6.7791 7.1683 7.5588 7.4776 7.8329 8.4768 9.1675 1.0857 1.9763 4.2066 52.9958 5.1305 0.2187 0.2649 0.2424 1.0567 0.5785 0.6671 1.9430 2.6078 13.2374 3.0156 1.7314 1.2456 4.9800 7.5756 3.1294 4.6407 30.7705 14.8842 58.0341 0.9112 1.9744 4.6201 0.8699 13.0742 11.7476 0.0504 21.0560 4.4221 17.2353 4.8443 90.0957 4.5416 29.4675 28.7979 3.3145 25.8011 29.2730 3.2636 12.1515 18.6206 9.5409 42.4035 13.3127 5.3922 0.5762 2.3068 5.8743 8.8533 4.0363 3.0476 8.6100 6.3415 339.1519 42.8238 25.6624 52.0931 34.8033 29.2331 33.5304 26.0493 22.6583 18.6655 21.6364 10.9457 1.9370 1.4056 0.5660 0.9969 0.6796 1.1505 1.4909 1.5183 0.2418 0.2814 1.2052 1.2811 2.3064 1.3967 1.3064 1.5625 1.4034 2.9394 3.6140 10.3781 3.5686 4.9756 6.3337 11.1848 8.0357 9.0909 9.3269 8.7646 7.6766 3.2263 1.3103 9.4118 5.5517 1.2098 8.1520 15.1971 5.6931 10.1143 2.2180 2.7419 3.1108 7.1313 9.2570 0.5811 7.4360 3.7389 3.7695 8.5988 11.7700 6.3198 1.7387 3.5401 15.6831 8.6258 13.9266 6.0479 17.4664 7.3371 4.2928 83.3237 52.7267 129.6979 44.6613 182.9892 93.0018 51.7782 52.7908 47.4295 109.0107 36.1431 60.5679 133.4810 89.0643 174.9701 111.7148 0.7486 0.7226 0.6969 0.7464 0.7480 0.7206 0.7494 0.6171 0.7402 0.5487 0.4473 0.2284 0.2245 0.7361 0.2044 0.7217 0.3562 0.7301 0.6207 0.2080 0.3731 0.4845 0.5665 0.4794 0.7319 0.2168 0.5391 0.7366 0.3753 0.5581 0.6560 0.4496 0.2933 0.7492 0.5192 0.5918 0.2095 0.2913 0.3588 0.7306 0.1033 0.6250 0.5549 0.7490 0.3704 0.4314 0.5640 0.7213 0.6479 0.7480 0.7494 0.7267 0.6998 0.5937 0.7170 0.3426 0.2992 0.2202 0.1679 0.0280 0.0994 0.6173 0.7500 0.7175 0.7500 0.1240 0.7053 0.7238 0.3666 0.2192 0.1418 0.7325 0.8562 0.8389 0.8214 0.8548 0.8558 0.8376 0.8567 0.7632 0.8507 0.7086 0.6181 0.3719 0.3667 0.8480 0.3395 0.8383 0.5253 0.8440 0.7659 0.3443 0.5434 0.6528 0.7233 0.6481 0.8452 0.3564 0.7005 0.8483 0.5457 0.7164 0.7923 0.6204 0.4536 0.8566 0.6835 0.7435 0.3464 0.4512 0.5281 0.8443 0.1872 0.7692 0.7138 0.8565 0.5406 0.6028 0.7212 0.8381 0.7863 0.8559 0.8567 0.8417 0.8234 0.7450 0.8352 0.5103 0.4606 0.3609 0.2875 0.0546 0.1809 0.7634 0.8571 0.8355 0.8571 0.2207 0.8272 0.8397 0.5366 0.3596 0.2484 0.8456 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 6 7 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 14.00307 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1278.17703 2253.50561 3098.44591 0.99988 0.01555 0.00181 -0.01555 0.99988 -0.00088 -0.00183 0.00085 1.00000 1 0.06776 0.03844 0.02795 1.41196 0.80086 0.58247 106.27 152.64 159.40 179.76 268.61 294.96 321.21 359.65 402.01 462.48 484.31 568.94 582.62 606.11 660.61 768.17 929.50 967.51 1071.08 1131.02 1145.10 1265.55 1300.12 1371.60 1435.26 1478.86 1508.87 1524.20 1574.07 1578.34 1628.54 1645.67 1675.37 1730.87 1745.46 1795.63 1812.17 1820.05 1839.28 1893.45 1985.25 2019.70 2051.91 2065.35 2154.29 2187.86 2235.65 2254.13 2264.43 2337.36 2353.34 2358.66 2381.80 2385.18 2398.96 2609.69 2643.27 2792.35 4605.81 4610.83 4626.25 4665.68 4703.52 4728.79 4734.89 4751.34 4776.80 4869.49 4898.98 4998.17 5322.83 5429.66 0.239803 0.251355 0.252299 0.202640 -528.506044 -528.494492 -528.493548 -528.543207 1.665571D-04 MUNgauss RevisionA2.1 retrievium 02-Nov-2022 GDB_13 Smiles: CC1(C)CN1N1CC=CC1=NN RHF 6-31G(d) (6D,10F) C1 166.121847 |X|Y|Z| 34.815529 25.871720 14.045165 23.301026 8 6 7 6 2 |36.858105| |12.580956|36.858105| |7.488101|12.597461|36.858105| |7.427943|12.935690|7.368199|36.858105| |7.351407|13.053636|7.714324|13.074172|53.358707| |6.618326|7.796336|5.180372|7.935999|18.358164|53.358707| |4.557776|5.225960|3.913116|6.244034|10.776414|17.809900|36.858105| |3.783027|4.013411|3.222961|4.290505|7.314279|11.241856|12.689063|36.858105| |4.058545|4.160703|3.396107|4.060431|7.312295|11.273404|8.202710|14.432053|36.858105| |5.605823|5.899217|4.556715|5.236020|10.889019|18.604702|8.211275|8.377538|12.884846|36.858105| |5.839380|5.923637|5.009346|4.673369|9.319666|11.129100|5.431706|5.448644|7.647263|15.130299|53.358707| |4.211051|4.120353|3.759484|3.465092|6.215576|7.258189|4.227429|4.712288|6.856680|8.518871|18.141263|53.358707| |17.605301|8.880056|6.870281|5.552728|8.491543|8.110486|4.128918|3.653679|4.141548|5.847818|9.396495|6.761883|0.500000| |17.620328|8.797733|5.469527|7.024357|9.328174|10.026989|5.141546|4.252904|4.477388|5.960884|7.669835|5.656971|0.301572|0.500000| |17.534542|8.934259|6.779741|6.283622|7.528467|6.673134|3.734332|3.152096|3.306622|4.248333|6.027848|4.699484|0.300427|0.301132|0.500000| |6.807780|8.854620|17.533675|6.132435|7.675812|5.701917|3.324395|2.787917|2.906077|3.721931|5.501519|4.357647|0.170659|0.139159|0.201342|0.500000| |5.478442|8.851332|17.587403|7.025196|10.012384|6.554580|3.862682|3.153241|3.246659|4.203078|6.065231|4.701846|0.140328|0.123037|0.139869|0.300356|0.500000| |6.794326|8.912506|17.563787|5.561216|8.942872|6.664010|3.665651|3.168574|3.475035|4.737655|7.766798|5.864397|0.203810|0.140158|0.165494|0.300088|0.301343|0.500000| |5.441606|8.520047|6.743040|17.698910|12.097832|7.957750|5.205419|3.726723|3.479019|4.254930|5.298159|4.116830|0.121846|0.140868|0.139036|0.163068|0.205690|0.139664|0.500000| |7.032932|8.721442|5.439485|17.698809|11.946458|10.231085|6.484424|4.411086|4.033653|4.924922|5.774294|4.414820|0.143412|0.215131|0.170978|0.136159|0.140757|0.123068|0.291666|0.500000| |4.006719|4.895457|3.889892|6.098956|10.378500|12.324905|17.514949|8.849937|6.364837|6.485839|6.486402|5.187507|0.101388|0.118607|0.093906|0.091235|0.112126|0.100103|0.154521|0.163435|0.500000| |4.410683|4.841269|3.598668|6.176489|8.825261|12.297511|17.555759|8.798146|6.090258|6.018937|5.986545|4.823362|0.107318|0.144077|0.103713|0.087927|0.097824|0.091732|0.143754|0.202741|0.300961|0.500000| |3.155983|3.308415|2.744519|3.585470|5.722476|7.777706|8.393183|17.743903|8.897476|5.735604|5.742949|5.290299|0.084718|0.097942|0.075433|0.067357|0.075369|0.074822|0.089523|0.103905|0.194510|0.201068|0.500000| |3.497481|3.487790|2.975509|3.336627|5.744580|7.828772|5.655820|8.843028|17.829303|8.482563|8.982537|9.917736|0.102051|0.105424|0.081270|0.072010|0.079010|0.086269|0.081315|0.092051|0.132673|0.128247|0.201552|0.500000| |3.748040|3.840484|3.701626|3.253004|5.810733|6.331866|3.819738|4.163453|5.631693|6.727894|13.247486|25.822780|0.120694|0.099970|0.087456|0.087220|0.096970|0.120201|0.080965|0.082992|0.100039|0.088985|0.097812|0.164754|0.500000| |4.224426|3.911761|3.637455|3.219755|5.514388|6.218903|3.634376|3.936472|5.335495|6.501613|13.288887|25.848710|0.145006|0.114419|0.097969|0.088263|0.090748|0.117695|0.078173|0.084501|0.090985|0.087915|0.092767|0.157537|0.333024|0.500000| 528.222698 -2717.188947 992.379247 -73.078218 -1269.665220 740.919369 -528.745851 2.000990 4047FFFFFFFFFFEE 41A0380B7BFFFFFE 4137112166666664 40B6F7FFFFFFFFFF BFFFFFFFFFFFFFFD 413BC0FFFFFFFFFF