Version2.5 2022-11-15T11:48:09Z 10.1021/ja902302h Gaussian16 RevisionB.01 SBUNGAY 05-Nov-2022 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) GDB_13 Smiles: CC1=C2C(=NN1)C1CC2(N)CN1 RHF 6-31G(d) (6D,7F) CC1=C2C(=NN1)C1CC2(N)CN1 C1[X(C8H12N4)] 66 C1 204 CC1=C2C(=NN1)C1CC2(N)CN1 Cc1[nH]nc2c1C1(N)CNC2C1 Cc1[nH]nc2C3CC(N)(CN3)c12 InChIKey=WVNRXQHQLGBJFE-UHFFFAOYSA-N InChI=1S/C8H12N4/c1-4-6-7(12-11-4)5-2-8(6,9)3-10-5/h5,10H,2-3,9H2,1H3,(H,11,12) InChI=1/C8H12N4/c1-4-6-7(12-11-4)5-2-8(6,9)3-10-5/h5,10H,2-3,9H2,1H3,(H,11,12)/f/h11H CC1=C2C(=NN1)C1CC2(N)CN1 C01[X(C8H12N4)] 66 C1 204 CC1=C2C(=NN1)C1CC2(N)CN1 C[C@@H]1NN[C@H]2[C@@H]1[C@@]1(N)CN[C@@H]2C1 C[C@@H]1NN[C@@H]2[C@H]3C[C@](N)(CN3)[C@H]12 InChIKey=LOKMOLAMSNUVSD-WCMLQCRESA-N InChI=1S/C8H16N4/c1-4-6-7(12-11-4)5-2-8(6,9)3-10-5/h4-7,10-12H,2-3,9H2,1H3/t4-,5+,6+,7+,8-/m0/s1 InChI=1/C8H16N4/c1-4-6-7(12-11-4)5-2-8(6,9)3-10-5/h4-7,10-12H,2-3,9H2,1H3/t4-,5+,6+,7+,8-/m0/s1 5.271646930722D+02 -2.721752102166D+03 744.4327870238 -527.6536823 1-A 1742.5822 44 160 204 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -15.62055 -15.57362 -15.54653 -15.53874 -11.27438 -11.27020 -11.25684 -11.24181 -11.23855 -11.23111 -11.21887 -11.19826 -1.36979 -1.24839 -1.18196 -1.10727 -1.07895 -1.00717 -0.97375 -0.95147 -0.84394 -0.82246 -0.74869 -0.73656 -0.70762 -0.67353 -0.66047 -0.63257 -0.62643 -0.59407 -0.58030 -0.56476 -0.56283 -0.54910 -0.52632 -0.51767 -0.50565 -0.49592 -0.47121 -0.42913 -0.39401 -0.36579 -0.33595 -0.31958 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.17884 0.20921 0.23484 0.24034 0.25459 0.26500 0.28330 0.30617 0.31172 0.32186 0.32866 0.32886 0.33833 0.35320 0.36829 0.37624 0.39250 0.41156 0.41897 0.45015 0.46166 0.48703 0.49161 0.53408 0.55137 0.57947 0.61505 0.67708 0.73315 0.74432 0.76342 0.77347 0.77455 0.81285 0.83792 0.84086 0.85033 0.86512 0.87734 0.89559 0.90861 0.91404 0.93848 0.94122 0.96312 0.98618 1.00214 1.02317 1.03129 1.04675 1.05350 1.07519 1.08331 1.09800 1.11351 1.12586 1.12792 1.13742 1.15228 1.16319 1.17239 1.18298 1.19133 1.19768 1.21299 1.22280 1.23021 1.24168 1.25080 1.25798 1.27599 1.31592 1.37772 1.40962 1.43878 1.46443 1.47100 1.52258 1.55212 1.57217 1.58534 1.65349 1.66419 1.67790 1.69872 1.73742 1.78646 1.79287 1.80214 1.87304 1.92215 1.95284 1.98789 2.02688 2.04172 2.08186 2.10851 2.12758 2.15029 2.17828 2.19842 2.20294 2.24562 2.26928 2.29141 2.29559 2.32714 2.36521 2.38600 2.40217 2.43645 2.45242 2.45657 2.49694 2.50690 2.53025 2.53565 2.57396 2.59196 2.61030 2.62372 2.63765 2.65344 2.69975 2.71602 2.75691 2.76944 2.77484 2.84852 2.85417 2.88082 2.90525 2.94340 2.95379 2.98319 3.00272 3.04940 3.07621 3.09376 3.12318 3.18283 3.20049 3.25680 3.27272 3.33945 3.49121 3.58771 3.67007 4.27679 4.30816 4.41517 4.55952 4.65589 4.80067 4.81413 4.83930 4.90656 5.07040 5.20652 5.33183
13.56259
-1.5581 2.5468 1.3827 3.2903 |XX|YY|ZZ|XY|XZ|YZ| -63.2156 -73.2232 -71.7012 1.4021 -2.8349 3.1504
|XX|YY|ZZ|XY|XZ|YZ| 6.1644 -3.8432 -2.3212 1.4021 -2.8349 3.1504
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| -53.8296 22.6753 7.3472 11.6562 10.1087 -7.8063 2.5161 -4.5050 12.3055 1.7506
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY| -1163.1024 -769.3717 -262.0601 85.1659 -25.8384 -0.8069 15.5403 3.1087 -3.4762 -311.5936 -260.6871 -178.9370 2.1551 -4.9425 -3.8516
0 |0.62275797|0.04226176|0.61549713|0.00366738|-0.00943763|0.61813876|-0.17404652|0.07492888|0.01404548|0.83792963|0.08176819|-0.20346892|-0.02198783|-0.12716404|0.75783198|0.01927617|-0.02298811|-0.08771435|-0.06979777|0.08537180|0.21309480|-0.00521731|0.00118095|0.00351606|-0.44191323|0.04381933|0.03469774|0.94450915|0.02617008|0.00789181|-0.00175968|0.00355762|-0.14789026|-0.00711694|0.05895263|0.65825585|0.00419547|0.00015803|0.00442900|0.02921292|-0.01514148|-0.07677540|-0.05309737|0.05322737|0.20042629|-0.00604911|-0.00219053|0.00004624|-0.00094216|0.03567700|0.00398324|-0.13674630|0.06407478|0.01239917|0.99659315|0.00027800|-0.00035539|-0.00169206|0.11889810|0.01755483|-0.01374426|-0.00482962|-0.29209616|-0.02248527|0.09577734|0.72761966|0.00179561|0.00016547|0.00917574|0.01492612|-0.00301568|0.01190872|0.00479879|-0.03371973|-0.10526959|-0.05658124|0.05588042|0.23640065|-0.00343646|-0.00501616|0.00279722|-0.04782015|0.01078518|0.00987739|0.01957545|-0.09265971|-0.01022977|-0.40508418|-0.21216634|-0.00192325|0.65385071|-0.00482816|0.00086071|-0.00213082|-0.00888242|-0.09329460|-0.01214101|-0.00519553|-0.06207673|-0.01349959|-0.16405930|-0.26235561|-0.00769525|0.13242059|0.60784506|-0.00085360|-0.00049780|0.00464004|0.00768295|-0.01126031|0.01243170|-0.00233254|-0.00123415|0.03352119|0.00976404|-0.00424569|-0.08033508|-0.03168765|0.05133206|0.12215149|0.02067261|0.02715173|-0.00060191|-0.15734342|-0.06065052|-0.00335693|-0.09316366|0.00012794|0.01344112|-0.16009655|-0.02547537|0.01900746|-0.19043730|0.04996852|0.01613550|1.08049426|-0.01348307|-0.03137552|0.00194133|-0.05848867|-0.32001525|-0.02465267|-0.08747772|-0.00423076|0.01038829|0.00345612|-0.03141264|-0.00675348|0.14886112|-0.21414824|-0.04163486|0.13571831|0.73318574|-0.00414377|-0.00610569|-0.00066882|-0.00749346|-0.03205185|-0.06503732|0.00378500|-0.00764860|0.01161690|0.02015106|0.00366312|0.00962409|0.02005401|-0.02382616|-0.07022975|-0.02602336|0.08422911|0.09313175|-0.00039854|0.00020785|-0.00022359|-0.00065333|0.00194825|0.00180972|-0.01646699|0.01291682|0.00131478|-0.21747926|0.05411156|0.02631762|-0.01435955|0.00047873|0.00147074|0.00923433|-0.00647686|-0.00305429|0.53540557|0.00164929|0.00068071|-0.00012667|0.00200460|-0.00708616|-0.00117404|0.03586992|-0.01061230|-0.00350491|0.01782065|-0.12013017|-0.00652666|-0.01472024|0.01615726|0.00401016|-0.00693456|-0.00311795|-0.00124298|-0.10968491|0.75466778|0.00057113|0.00019232|0.00016096|0.00038559|-0.00362713|0.00222441|0.01129074|-0.00296635|0.00555696|0.01735899|-0.01067149|-0.07747674|0.00179248|0.00075073|-0.01136477|-0.00021123|0.00135836|0.01013191|-0.04262495|0.10160579|0.50405917|0.00030001|-0.00020429|-0.00011417|0.00022704|-0.00318321|0.00296916|-0.04188096|0.01163461|0.03147834|-0.02967105|-0.03556760|0.02619338|-0.00087422|0.00314032|0.00312745|-0.00522594|0.00004976|-0.00190647|-0.09630607|-0.01751816|0.01725972|0.70744270|0.00020521|-0.00032334|0.00015103|0.00051766|-0.00110557|-0.00046750|0.00391377|0.00656120|0.00373786|-0.01713457|-0.00492385|0.00458252|0.00018460|0.00035129|0.00133289|0.00027331|-0.00269034|-0.00052433|-0.02448782|-0.16140659|0.04999716|0.04211590|0.43834742|0.00007600|-0.00002004|0.00001565|-0.00084825|0.00008242|-0.00030396|0.00758034|0.00225161|-0.00242074|0.00859302|0.00271434|-0.00092265|-0.00105527|-0.00068855|-0.00017058|-0.00096170|-0.00021576|-0.00014444|0.01212838|0.02557193|-0.10604526|0.04695677|-0.04298532|0.69327127|0.00065161|0.00103903|-0.00066353|-0.01155020|-0.01084692|-0.00039388|-0.20332867|-0.05585878|-0.00368052|0.00599987|-0.01786441|-0.00366876|0.00235282|0.00610176|0.00243352|0.00095983|0.00537553|0.00074171|0.00496207|0.00312759|-0.00598825|-0.10766569|0.01831626|0.02981237|0.55051912|-0.00048686|0.00192068|0.00020792|0.00416535|0.01181943|0.00240043|-0.03691027|-0.12697015|-0.00510346|-0.03466424|-0.02482382|-0.00286738|-0.00169155|-0.00784520|-0.00121014|0.00907710|0.00194538|-0.00168715|0.01364220|-0.05263992|-0.01252418|0.01988581|-0.10691454|-0.03038011|0.03780503|0.72722254|-0.00031310|-0.00010475|-0.00264182|0.00238945|0.00441013|-0.00626288|0.00180463|-0.00190402|-0.07483275|-0.00232435|0.00044812|0.00311624|-0.00179971|-0.00047866|0.00349342|0.00204240|-0.00427767|0.00663653|-0.00652493|0.00188549|0.00891262|0.02972999|-0.03224857|-0.13276491|-0.00857646|-0.00349800|0.48052571|-0.00001821|0.00058991|0.00024707|0.00271566|0.00284833|-0.00013517|0.00917440|-0.04084037|0.00748660|-0.00886225|0.00013803|0.00148213|-0.00139861|-0.00378977|-0.00124112|0.00085858|-0.00192317|-0.00046889|-0.00409833|0.00366251|0.00233396|0.00323186|0.01892563|-0.00808830|-0.11539535|-0.01968627|0.02689286|0.65728272|-0.00027819|-0.00050942|0.00008923|0.00181079|0.00083227|-0.00040647|-0.00169426|-0.01659144|0.00277043|-0.00145917|-0.00040794|0.00088740|0.00011304|-0.00083791|-0.00058252|-0.00161488|-0.00045996|0.00021036|0.00239991|-0.00163977|-0.00196984|-0.00303215|-0.02296568|0.00585087|0.01769493|-0.27798165|0.06054374|0.05987448|0.61903933|0.00001936|0.00039326|-0.00028589|-0.00135401|-0.00047887|0.00057177|0.00014841|0.00564868|0.00040558|0.00165589|-0.00050433|0.00044398|0.00028945|0.00040002|0.00039749|0.00086124|0.00107976|-0.00022972|0.00312967|-0.00530621|-0.00707227|-0.00433915|-0.02581851|0.01151899|0.01774907|0.01057297|-0.10135586|-0.21144192|0.12614451|0.42207093|0.00019721|-0.00027573|-0.00030600|0.00371744|0.00028959|-0.00302312|-0.03167192|0.00299874|-0.03226492|-0.00196276|-0.00181494|-0.00190215|-0.00197214|0.00186798|0.00040328|-0.00133472|-0.00531843|0.00131848|-0.00232636|-0.01542914|-0.00433639|0.01227590|-0.00182522|0.01412325|-0.10946794|0.00704475|-0.03560042|0.00323721|-0.00135368|0.00285650|0.64117889|0.00014869|-0.00049047|0.00003899|0.00057982|0.00044946|-0.00088704|-0.00200904|0.00715321|-0.00964357|0.00151374|0.00248552|0.00111396|-0.00564633|-0.00005199|0.00173998|0.00278929|-0.00586496|-0.00045158|-0.00310685|-0.01885239|-0.02635134|-0.00474246|0.00565397|-0.00940078|0.00354264|-0.08791402|0.01355988|0.01569900|-0.02571634|0.03464938|0.08014591|0.52875327|-0.00015657|0.00016099|0.00018118|0.00147854|0.00088714|-0.00020335|-0.00799545|-0.00474278|-0.00183590|-0.00166929|0.00024655|0.00099399|0.00079906|0.00083402|0.00011736|0.00088081|0.00026621|-0.00043935|0.01002589|-0.03794735|-0.01401227|-0.01242139|-0.00478755|-0.04888085|-0.02935803|0.00703009|-0.14969944|0.00033044|0.00187155|0.00405206|-0.06179970|0.06129232|0.64790001|0.00040160|-0.00001930|-0.00022748|0.00140098|-0.00220499|-0.00037151|-0.00006704|0.00183385|0.00102656|-0.03176350|-0.01381092|-0.04433200|0.00795948|0.00080357|-0.00560264|-0.00947054|0.00592773|0.00542892|-0.09573902|-0.00645913|-0.02678392|0.00714147|0.00018757|0.00757651|-0.00311846|0.01598243|0.00394357|0.00119810|0.00154817|-0.00328948|-0.07738879|-0.01147113|0.00090679|0.28320084|-0.00008187|-0.00011706|0.00006804|0.00024331|0.00057260|-0.00004169|-0.00408891|-0.00099773|0.00062513|-0.00452874|0.00269073|-0.00451860|0.00194543|0.00196701|-0.00122288|-0.00123066|0.00062007|0.00072654|-0.01987398|-0.11608634|-0.01708250|0.01292168|-0.00283430|0.03316678|0.00741448|-0.03222075|0.00568127|0.00380115|-0.00219308|0.00586857|0.04124352|-0.21479512|-0.01637511|0.11651429|0.61099528|0.00011041|0.00002863|-0.00018530|0.00096655|-0.00035398|-0.00008964|-0.00179553|-0.00069534|0.00342564|-0.01968083|-0.00515853|-0.01158669|0.00292307|0.00248869|-0.00155753|-0.00422455|0.00109140|0.00131090|-0.07302918|-0.00097091|-0.18193011|-0.01531669|0.00992504|-0.04625380|0.00086787|0.02459787|0.00488271|-0.00318424|0.00453686|-0.00622695|0.01230801|-0.01353569|-0.11948201|-0.05881293|-0.13763615|0.64800066|-0.24229624|-0.01371315|-0.13607329|-0.02081948|-0.00234641|-0.01149945|0.00112861|0.00374304|-0.00053570|-0.00043184|-0.00041929|0.00118920|-0.00092993|0.00153169|0.00066316|0.00217922|-0.00256862|0.00039377|0.00008703|0.00032572|0.00012654|-0.00010027|-0.00008104|-0.00013736|0.00039509|0.00015216|-0.00017534|-0.00020429|-0.00016874|0.00007929|-0.00004544|-0.00011218|0.00009642|-0.00009306|0.00002212|-0.00002262|0.26252187|-0.01484818|-0.06127289|-0.01014047|0.02829599|0.00334031|0.01950410|-0.00031276|-0.00332057|-0.00003714|0.00019835|-0.00053869|-0.00110040|0.00212179|-0.00140403|-0.00080615|-0.00191587|0.00364178|0.00028264|-0.00001115|-0.00029764|-0.00022211|0.00012597|0.00011629|0.00000895|-0.00021028|-0.00061300|0.00011300|-0.00016839|0.00007835|-0.00010969|0.00009877|0.00010873|-0.00009591|-0.00005605|0.00005544|0.00000817|0.01219359|0.06067685|-0.13729649|-0.01001618|-0.15753421|0.00878367|0.00101577|0.00590630|0.00028574|-0.00095152|-0.00001278|0.00054062|-0.00037780|-0.00041047|-0.00005142|0.00082237|0.00003962|-0.00025420|-0.00009863|0.00043649|0.00000107|-0.00010512|-0.00008250|-0.00000653|-0.00005058|0.00001005|-0.00003576|0.00009187|0.00008864|0.00002716|-0.00000200|0.00003478|0.00003443|-0.00007511|-0.00007018|-0.00000226|0.00002567|0.00003529|0.15034842|0.01321506|0.16571721|-0.08289458|0.00201793|0.08238442|-0.00918440|0.00167211|0.02290129|-0.00025583|0.00251792|0.00000918|-0.00004250|-0.00001724|-0.00170655|-0.00109946|0.00181822|0.00000906|0.00040601|-0.00265692|-0.00041674|0.00022699|0.00015907|0.00017637|-0.00006018|-0.00009961|-0.00008350|0.00048058|0.00016758|0.00038552|-0.00031082|-0.00007607|0.00007202|-0.00022577|-0.00009212|0.00030329|-0.00000606|-0.00007013|-0.00010203|0.01222513|-0.00051526|-0.03030205|0.08618506|0.00216535|-0.05892479|-0.00913950|0.01057435|-0.00152234|-0.03143904|-0.00059285|-0.00070683|0.00013873|-0.00078000|-0.00190946|0.00104256|0.00362047|-0.00237703|0.00060939|-0.00111499|0.00321712|0.00090491|-0.00017660|-0.00016760|-0.00006846|-0.00002078|0.00009757|0.00006131|-0.00030902|-0.00038873|-0.00005096|-0.00008455|0.00024439|-0.00015417|0.00016590|0.00024141|-0.00013616|-0.00003572|0.00004375|-0.00001600|0.00071970|-0.00037500|-0.00309434|-0.00650494|0.05892345|0.08137271|-0.00758930|-0.31543548|0.00241487|-0.00200538|0.00029173|-0.00115278|-0.00039855|0.00008299|-0.00019662|-0.00031346|0.00015439|0.00061067|-0.00079471|-0.00005322|0.00035850|0.00067221|0.00073769|-0.00009424|-0.00005145|-0.00007012|0.00002457|0.00003943|0.00001700|-0.00013471|-0.00002802|-0.00005510|0.00017686|-0.00000015|0.00002212|0.00008388|0.00005554|-0.00012880|0.00005352|-0.00000580|0.00007004|0.00638349|0.00011302|-0.02046178|-0.09139507|0.00984101|0.34088718|-0.13068792|-0.12591375|0.03110976|0.01554807|0.02308855|-0.00617621|0.00048271|-0.00110061|0.00005144|0.00081708|0.00003504|-0.00028110|0.00012691|0.00148495|0.00091142|-0.00391935|0.00343218|0.00049570|0.00011834|-0.00013169|-0.00004883|-0.00005030|-0.00003650|0.00007665|-0.00016703|0.00054663|-0.00009859|0.00020881|-0.00019958|-0.00016544|-0.00004843|-0.00002525|-0.00001541|-0.00003694|-0.00008085|0.00000913|-0.01350736|-0.02544555|0.00820714|-0.00528851|-0.00796871|0.00131725|0.13719277|-0.12022378|-0.27105706|0.05382858|-0.01899668|-0.02436191|0.00593186|0.00025209|0.00228192|-0.00046287|-0.00097737|-0.00065767|-0.00027091|-0.00012963|-0.00113192|-0.00055543|0.00642476|-0.00256940|-0.00015095|-0.00029118|0.00023023|0.00004721|0.00011976|0.00003624|-0.00001060|0.00033114|-0.00109905|0.00037263|-0.00071268|0.00007546|-0.00012174|0.00017039|0.00006141|-0.00004255|0.00018771|0.00015126|0.00004253|-0.00040979|0.00037125|-0.00086559|0.00167969|0.00370847|0.00059062|0.13220500|0.29309867|0.03122070|0.05617152|-0.07148249|-0.00419123|-0.00700903|0.00014105|-0.00002101|0.00023702|0.00021617|-0.00000507|0.00027962|-0.00019716|-0.00059043|-0.00024775|0.00045497|0.00182112|-0.00174938|0.00047125|-0.00001285|0.00000474|-0.00004505|0.00002973|-0.00001936|0.00005023|0.00005220|-0.00007361|0.00017113|-0.00021970|0.00021957|-0.00003428|-0.00005293|0.00004643|0.00005486|0.00003531|-0.00001816|-0.00004432|-0.01034841|-0.02128667|0.00620799|0.01779850|0.03202597|-0.00546669|-0.03522051|-0.05870403|0.06996962|0.00075628|-0.00089031|0.00015876|-0.00127836|0.00190441|-0.00015381|0.00224633|-0.00194969|-0.00120610|-0.00305185|0.00726475|0.00055059|-0.01826960|-0.01055498|-0.00172998|-0.49033887|-0.12163705|-0.00895163|0.00030152|-0.00041306|0.00061701|-0.00031590|0.00009662|0.00007492|0.00003811|-0.00048737|0.00022525|0.00003304|0.00009855|-0.00008722|0.00022688|0.00008818|-0.00002501|0.00048262|0.00000268|0.00002718|0.00002360|-0.00001403|-0.00029233|0.00008082|0.00004560|0.00012941|-0.00014218|0.00011274|-0.00003421|0.50904696|-0.00024253|0.00129592|-0.00027865|-0.03107856|0.00658898|0.00190740|-0.00413934|-0.00784370|-0.00089955|0.00824456|-0.00522852|-0.00199890|0.02957717|0.01814810|0.00484860|-0.13049008|-0.12985621|-0.01716066|-0.00057960|0.00146995|-0.00080513|0.00041173|-0.00041039|-0.00002025|0.00023598|0.00117167|-0.00007629|0.00000394|0.00001448|0.00008656|-0.00033499|-0.00046029|0.00009444|0.00059923|0.00007658|0.00028411|0.00092189|-0.00072710|0.00045067|0.00005882|-0.00018667|-0.00011129|0.00040574|0.00025024|0.00028146|0.12647658|0.11516015|0.00050126|0.00016074|-0.00103767|-0.00062500|0.00476088|-0.00937822|-0.00146610|0.00118896|0.00150727|0.00187587|-0.00377460|0.00136575|0.00846153|0.00454651|-0.01393406|-0.01842040|-0.01933392|0.00297273|-0.00015602|-0.00016722|0.00315058|-0.00170320|-0.00028311|0.00004346|0.00043986|-0.00025614|0.00353386|-0.00030814|-0.00006980|-0.00005661|0.00074212|0.00002248|0.00002001|0.00103189|0.00022563|0.00043318|-0.00061884|0.00030819|0.00013004|0.00015766|-0.00079092|-0.00059009|-0.00002005|0.00006197|-0.00031763|0.01049640|0.01360931|0.01199184|-0.00041431|-0.00034333|-0.00001323|0.00049072|0.00193169|-0.00011193|-0.00701395|0.00085311|0.00084705|-0.00313174|0.03335633|0.01249422|0.00241620|-0.00242003|-0.00035418|-0.00194585|0.00058946|0.00005130|-0.10065333|0.09076988|0.04351299|0.00430246|-0.00763574|-0.00675014|-0.00197015|-0.00248499|0.00062094|0.00106566|-0.00057407|-0.00047516|0.00021430|-0.00053910|-0.00338086|0.00611897|-0.01739121|-0.00603083|-0.00014145|0.00012425|0.00003957|-0.00010804|0.00007364|0.00004267|0.00002372|0.00000631|-0.00000189|-0.00001285|0.00012783|-0.00018644|0.10005645|-0.00004690|0.00003760|0.00002148|-0.00047120|-0.00005574|-0.00000661|-0.00045777|0.00016908|-0.00039557|-0.00060246|0.00290436|0.00182663|0.00141700|-0.00005056|0.00000302|0.00049468|0.00045543|-0.00001100|0.08830477|-0.28466372|-0.09954556|0.01024227|-0.01445519|-0.01312673|-0.00186544|-0.00345388|0.00310310|0.00116202|-0.00103074|-0.00138793|0.00036089|0.00104470|-0.00008501|-0.00132326|0.00004657|-0.00210398|0.00002947|-0.00000002|0.00000648|0.00001336|-0.00000784|-0.00000814|-0.00002375|0.00001601|-0.00000524|-0.00002104|-0.00003526|-0.00005529|-0.09651066|0.29904275|-0.00000247|0.00002566|-0.00004506|-0.00010964|0.00006993|0.00010393|0.00030436|0.00047273|0.00083661|0.00078920|-0.00157445|0.00037297|0.00004789|0.00021170|-0.00012804|0.00051158|-0.00020395|-0.00026188|0.04247178|-0.09476230|-0.10314065|-0.01018624|0.01403077|0.01281182|0.00108372|0.00418129|-0.00355391|-0.00077060|0.00076030|0.00187712|-0.00073188|0.00155018|-0.00610920|0.00477569|-0.03257422|-0.01310233|-0.00000274|0.00000488|0.00000222|-0.00000498|-0.00000503|0.00000390|0.00000879|-0.00000396|-0.00000371|0.00000430|-0.00004617|-0.00000854|-0.03967869|0.11204866|0.11099676|0.00002591|-0.00017016|-0.00002691|0.00154620|0.00002449|0.00066265|-0.00276990|0.00173454|0.00294327|-0.00112870|-0.00121877|0.00040901|0.00063978|0.00020398|0.00060000|-0.00152902|-0.00085455|-0.00001759|-0.00530786|0.00087607|-0.00173348|-0.33677661|-0.04196217|0.01259569|-0.01297877|-0.00514823|-0.00233046|0.00085470|0.00010291|-0.00019820|-0.00054758|-0.00005197|-0.00070189|0.00142496|0.00067710|-0.00058402|-0.00007272|0.00005650|-0.00001433|-0.00007063|0.00005052|0.00003757|-0.00000272|0.00004796|-0.00000394|0.00011729|0.00004082|-0.00028777|0.00025208|-0.00063370|0.00022205|0.36569721|0.00000347|0.00013494|-0.00002718|-0.00064721|0.00013680|-0.00030295|0.00260575|-0.00228932|-0.00377821|-0.00123589|-0.00721743|0.00403068|0.00058297|0.00055858|0.00055291|-0.00117891|0.00183538|0.00022781|-0.03412829|-0.00085560|0.00052142|-0.03910896|-0.06660097|0.00189928|0.02372176|0.00554303|0.00082617|-0.00029195|0.00183652|0.00089495|-0.00013204|0.00063983|0.00136897|0.00108605|0.00163038|-0.00222899|0.00004688|-0.00006830|0.00002151|0.00003344|-0.00002132|-0.00001262|-0.00001847|0.00003850|0.00000779|-0.00010051|0.00038646|-0.00005441|0.00059467|0.00069934|-0.00109716|0.04621014|0.06342439|-0.00001038|0.00008996|0.00004890|0.00014638|0.00064202|-0.00050668|0.00335630|-0.00248481|-0.00177754|0.00164211|0.00192475|-0.00027037|0.00077437|-0.00020552|-0.00032818|0.00059075|0.00046351|0.00009171|0.01252613|-0.00044211|-0.00098089|0.00625033|0.00045698|-0.06709570|0.02037640|0.00681124|0.00030974|-0.00078108|0.00098728|0.00053917|0.00138483|-0.00012987|0.00049892|0.00011470|0.00039319|0.00032296|0.00006285|-0.00004287|-0.00000271|0.00002291|-0.00001618|-0.00001167|-0.00001187|-0.00001334|-0.00000987|0.00006689|0.00001860|0.00023358|-0.00047494|-0.00014046|0.00023312|-0.01301680|-0.00176090|0.06315829|-0.00001939|0.00002730|0.00005087|0.00009819|0.00010794|-0.00021450|0.00107589|0.00011882|0.00201456|0.00022645|-0.00030769|0.00145696|0.00044788|0.00002046|-0.00009399|-0.00012505|0.00013565|0.00003662|0.00080154|0.00110454|0.00606579|-0.11461875|0.00796910|-0.11495155|0.00490973|-0.00299127|0.01380241|0.00030085|-0.00084045|-0.00084278|-0.00139444|0.00070727|0.00294206|0.00050882|-0.00007403|0.00122928|0.00000697|-0.00001299|0.00000594|0.00001314|-0.00001041|-0.00001504|0.00000211|-0.00000505|0.00000761|0.00000770|-0.00000517|0.00003443|0.00011381|0.00026950|-0.00034893|-0.01132757|0.00281693|-0.03201843|0.11725384|-0.00000285|-0.00000182|0.00005253|0.00043765|0.00039766|0.00029154|-0.00161820|-0.00034327|0.00068206|0.00134464|0.00039248|0.00014751|-0.00073659|0.00032333|-0.00041705|0.00016738|-0.00062844|-0.00005057|0.01486401|0.00441220|0.02707238|0.00626775|-0.06023238|0.02143109|-0.01096795|0.00375249|-0.02371803|-0.00085627|0.00143157|0.00197969|0.00340156|-0.00415377|-0.00414612|-0.00243596|-0.00635508|0.00631490|0.00000604|0.00000816|-0.00000622|-0.00002456|0.00000276|0.00000874|0.00000598|-0.00001934|-0.00002597|-0.00000825|-0.00000021|0.00002415|0.00061750|0.00042785|-0.00108621|-0.00181139|0.00090121|-0.00572907|-0.00885188|0.05749120|0.00004767|-0.00001749|0.00001960|0.00125173|0.00044771|0.00012773|-0.00174034|-0.00056951|0.00153010|-0.00121617|0.00003737|0.00053900|0.00121526|0.00021250|0.00009929|-0.00060119|-0.00032681|-0.00001933|-0.00496851|-0.00334493|-0.00829550|-0.10758813|0.02250788|-0.30316465|-0.00979251|0.00509798|-0.01881859|-0.00004532|-0.00003338|0.00201716|0.00313128|-0.00136724|-0.00308766|0.00098829|0.00136268|-0.00164708|0.00002874|-0.00000023|-0.00000842|-0.00004475|0.00000400|0.00002107|-0.00001427|0.00000802|-0.00003198|0.00007861|0.00003030|-0.00009525|0.00011204|0.00061594|0.00016696|0.00062176|-0.00077135|0.00541061|0.11970698|-0.02379964|0.32709623|-0.00024169|-0.00073169|0.00032298|0.00054294|-0.00047434|-0.00020497|0.00004449|0.00027535|-0.00032020|0.00020063|-0.00050244|-0.00010029|0.00005804|0.00059009|0.00002029|-0.00062385|-0.00026192|0.00012955|0.00083883|-0.00019743|0.00014537|0.00049927|-0.00095235|-0.00017663|0.00166376|0.00226435|-0.00379009|-0.11033610|0.05260914|0.12040221|-0.00001882|-0.00041361|0.00025576|-0.00016514|-0.00049448|0.00015441|0.00015661|0.00031345|-0.00001324|-0.00001548|0.00016186|-0.00003691|-0.00073372|0.00035806|-0.00029351|-0.00000279|-0.00003099|-0.00000015|-0.00014854|-0.00015729|0.00005294|0.00024659|-0.00033813|-0.00014080|-0.00006480|0.00022763|0.00010809|0.12522085|-0.00005345|-0.00003574|0.00008312|-0.00059401|-0.00055817|-0.00010212|-0.00079085|0.00141556|0.00016129|0.00061991|-0.00065884|0.00021135|0.00023166|0.00042402|0.00000309|-0.00011073|0.00021504|0.00006835|0.00128796|-0.00156188|-0.00224304|-0.00264811|-0.00588925|0.00472471|0.02042416|-0.02223387|-0.03969424|0.06648833|-0.16828844|-0.15405068|0.00058123|0.00170127|-0.00041629|-0.00069007|0.00067704|-0.00026087|0.00009748|0.00008731|0.00000685|-0.00004869|-0.00000946|-0.00000283|-0.00005748|0.00028725|-0.00011046|-0.00003893|0.00001994|-0.00000123|-0.00025383|-0.00052080|0.00064263|0.00028293|0.00009881|0.00006315|-0.00020148|0.00013786|-0.00010296|-0.07852438|0.18575890|-0.00009381|-0.00069286|0.00026237|0.00044697|-0.00038375|-0.00007723|-0.00032727|-0.00075058|0.00014161|0.00008321|-0.00048088|-0.00015880|-0.00004716|0.00024688|0.00009311|-0.00046270|-0.00015752|-0.00002671|0.00035306|0.00044148|0.00013802|-0.00084721|0.00094228|0.00069484|-0.00749954|0.01227008|0.00611076|0.16713841|-0.18723398|-0.30059313|-0.00061587|0.00058719|0.00208389|-0.00010165|-0.00042153|-0.00009568|0.00011079|0.00021799|-0.00007049|0.00011165|0.00019354|-0.00007465|-0.00031399|0.00037638|0.00005712|0.00002104|-0.00002471|-0.00001624|-0.00003700|0.00004263|-0.00001873|-0.00002659|0.00002608|-0.00001499|-0.00001363|0.00031093|0.00017756|-0.15416948|0.17631159|0.29651376|0.00003637|0.00013026|-0.00007365|0.00020415|0.00040119|-0.00006497|0.00220200|-0.00068612|0.00003479|-0.00034002|0.00026939|0.00028500|-0.00009463|-0.00033694|-0.00005030|-0.00006841|-0.00019791|0.00001572|-0.00017624|0.00000340|0.00009931|0.00150034|0.00016984|-0.00025530|-0.00078872|0.00418508|-0.00467857|-0.44148006|-0.12543659|0.07281998|0.00110853|0.00121504|0.00029841|0.00011325|0.00007599|-0.00021267|-0.00007106|-0.00005762|0.00000789|-0.00003465|-0.00001780|0.00002186|0.00007740|-0.00014839|0.00003124|0.00002736|0.00000286|-0.00000640|0.00007002|0.00004276|-0.00005212|-0.00000985|-0.00039571|-0.00028803|-0.00010124|-0.00013706|-0.00003926|-0.01663440|-0.00639577|-0.00408956|0.45437769|-0.00005501|-0.00041516|0.00020837|0.00080409|0.00002977|-0.00013787|0.00291408|-0.00733100|0.00158880|-0.00243049|0.00002743|0.00027351|-0.00042135|-0.00081876|-0.00032104|-0.00014793|-0.00075422|-0.00010842|-0.00034919|0.00039488|0.00030550|-0.00081421|0.00165991|-0.00079388|-0.04853946|-0.01242179|0.00462666|-0.10653027|-0.10677121|0.00024350|-0.00117079|0.00039843|-0.00017538|0.00053472|0.00080490|-0.00021053|0.00003067|0.00014117|-0.00001163|-0.00005205|0.00012084|0.00000116|-0.00016442|0.00025684|-0.00005474|0.00001280|-0.00008527|-0.00006751|0.00018913|0.00015118|-0.00006584|0.00111226|-0.00049231|-0.00043224|0.00017431|-0.00008187|-0.00003737|0.02613011|0.00915425|-0.00152895|0.12741663|0.11554219|0.00004723|-0.00001020|0.00006206|0.00053664|0.00010978|-0.00025042|-0.00060550|-0.00032358|0.00084842|-0.00024842|0.00015001|0.00029609|-0.00034265|-0.00022987|-0.00024054|-0.00018940|-0.00045169|0.00005113|0.00005450|-0.00037807|0.00073202|-0.00099832|-0.00043974|0.00064225|0.00763191|0.00707674|-0.00365490|0.01953999|-0.01366888|-0.03207992|0.00207492|0.00067209|-0.00024851|-0.00016143|-0.00104819|-0.00015238|-0.00006716|0.00000579|-0.00000061|-0.00006177|0.00000765|0.00002697|0.00016238|-0.00010177|-0.00008568|0.00005300|-0.00004153|0.00001588|0.00000335|-0.00000141|-0.00016334|0.00033620|-0.00004738|0.00024970|-0.00021230|-0.00031931|-0.00034303|0.03774476|0.01331627|-0.00513082|-0.06405905|-0.00405707|0.04001311|0.00005376|-0.00023352|0.00001392|0.00158749|0.00037382|-0.00072841|-0.00212926|0.00169017|-0.00439489|0.00048038|0.00109150|0.00027361|-0.00099262|-0.00003859|0.00019828|-0.00039504|-0.00174864|0.00022890|0.00003319|0.00113642|0.00032135|-0.00013155|0.00005117|0.00069954|-0.01658859|-0.00974937|0.00112807|0.00254735|0.00059975|0.00181653|-0.28118850|-0.10964772|-0.02286851|0.01503539|0.00254542|0.00105455|-0.00008013|0.00008155|-0.00002638|-0.00007323|0.00008331|0.00004961|-0.00002535|0.00007082|-0.00000291|0.00013128|-0.00006641|0.00003981|0.00006240|-0.00000304|-0.00000393|0.00088202|-0.00039291|-0.00016475|0.00028345|0.00019693|-0.00019127|-0.00060959|0.00029525|-0.00017555|0.00018590|0.00108063|-0.00099020|0.29845531|-0.00003003|0.00008013|0.00003748|-0.00078193|-0.00029465|0.00041724|0.00177507|-0.00032798|0.00237557|0.00081192|-0.00073918|-0.00090808|0.00041438|-0.00013554|-0.00020477|-0.00007986|0.00145035|0.00007456|-0.00133539|-0.00380939|0.00251137|-0.00085093|-0.00009690|-0.00019115|0.01212275|0.00512724|0.00166154|0.00026243|0.00223363|-0.00120590|-0.10754614|-0.10448377|-0.01081866|-0.02390176|-0.02958524|-0.00752197|0.00001820|-0.00001116|0.00000477|0.00001740|-0.00002745|-0.00000984|-0.00001345|-0.00000096|0.00000335|-0.00003546|0.00010312|-0.00004841|-0.00047777|-0.00013872|-0.00075852|0.00021920|0.00017670|-0.00025930|0.00014341|0.00003216|-0.00016308|0.00017709|-0.00007754|-0.00001985|-0.00016378|0.00009087|0.00013931|0.11929029|0.13020919|0.00006075|-0.00016561|-0.00005188|0.00067396|-0.00007659|-0.00057922|-0.00276628|0.00268828|-0.00406836|0.00068234|0.00004119|0.00027198|-0.00095898|0.00006556|0.00014629|-0.00043333|-0.00155241|0.00036268|-0.00082537|-0.00106775|-0.00153065|-0.00034336|-0.00007015|0.00191913|-0.02869804|-0.01324650|-0.00165887|0.00194795|-0.00165960|0.00244723|-0.02078189|-0.01091911|-0.07062788|-0.00388782|-0.00483951|0.00385304|-0.00005146|0.00005415|0.00000845|-0.00013083|0.00010170|0.00003873|-0.00000392|0.00006195|-0.00001543|0.00008962|-0.00011161|0.00008844|-0.00002970|-0.00006964|-0.00010853|0.00042748|-0.00010653|-0.00068541|0.00029632|0.00026078|0.00006295|-0.00015530|0.00035897|-0.00003788|0.00032136|0.00082116|-0.00040795|0.02595232|0.01578832|0.06546568|-0.00006203|0.00007529|0.00000676|-0.00013447|0.00012526|0.00004993|0.00201191|-0.00030822|-0.00083437|-0.00013583|0.00021163|0.00005066|0.00003461|0.00003829|-0.00000107|0.00023665|0.00010166|-0.00006469|-0.00093062|0.00040132|-0.00087152|-0.00169891|0.00089624|-0.00371556|0.01021032|-0.00449515|-0.01629126|0.00009791|-0.00081400|0.00104007|-0.14923439|0.01962773|0.13081157|0.00005270|0.00344344|0.00100059|0.00002240|-0.00002201|-0.00000282|0.00002852|-0.00001413|-0.00002794|-0.00000141|-0.00001521|0.00000718|-0.00003168|0.00000998|0.00001510|0.00008624|-0.00010244|0.00026168|0.00039548|-0.00007919|-0.00023820|0.00079720|-0.00080884|-0.00069355|0.00002319|0.00007814|0.00053941|-0.00007962|0.00028868|-0.00021805|-0.01762679|0.00244079|0.02922618|0.15361495|0.00000073|0.00000445|-0.00001657|-0.00007196|0.00015865|-0.00016509|-0.00106817|0.00002840|-0.00107135|0.00054589|-0.00013361|-0.00007253|0.00004073|0.00007053|0.00000707|-0.00034813|0.00014671|0.00019755|0.00515972|-0.00457877|0.00104631|0.00161649|-0.00170630|0.00290238|-0.01019265|0.00395647|0.01073876|0.00013308|0.00079360|-0.00082783|0.01596355|-0.06694091|-0.02494860|0.01927709|-0.01268454|-0.03568491|-0.00000185|-0.00000633|0.00000481|-0.00000880|0.00002559|0.00000452|-0.00000925|0.00000471|0.00002323|-0.00000022|0.00005253|0.00001390|-0.00093731|-0.00011900|-0.00186237|0.00026135|-0.00024933|-0.00014808|-0.00017274|0.00111773|0.00052799|0.00016344|-0.00028449|-0.00026886|0.00000669|0.00022007|-0.00005487|-0.00812706|0.00447322|0.01388529|-0.02122791|0.07263264|-0.00002721|0.00007599|-0.00003482|-0.00089052|-0.00051421|0.00029359|0.00153174|0.00131934|0.00228407|0.00063383|-0.00109195|-0.00010766|0.00036219|0.00004981|-0.00010491|-0.00053740|0.00061254|0.00002404|0.00079622|0.00021507|-0.00019345|-0.00396092|0.00195101|-0.00490483|0.01755287|-0.00754559|-0.02088666|-0.00124193|0.00120032|0.00045082|0.12665295|-0.03218244|-0.25054758|0.00139810|-0.00106051|-0.00110861|0.00002887|0.00000525|0.00003860|-0.00011280|0.00000539|0.00001027|0.00001529|0.00001159|-0.00005521|-0.00003677|0.00000792|-0.00002311|-0.00026429|-0.00010486|-0.00013739|0.00000358|0.00017943|0.00031249|0.00066282|-0.00145765|-0.00123192|0.00011314|0.00087400|0.00007483|-0.00006715|-0.00010070|0.00001150|-0.00152446|0.00134285|0.00519686|-0.14012008|0.03705586|0.26935150|-0.00007101|0.00009105|-0.00004317|-0.00032279|0.00010510|0.00000532|0.00017409|0.00020348|0.00010857|0.00260205|0.00256296|-0.00073502|-0.00069301|-0.00036344|0.00052740|0.00097607|-0.00055396|-0.00028985|0.00288611|0.01257734|-0.01945874|-0.00154466|0.00039213|-0.00326990|-0.00012335|0.00387710|-0.00046180|-0.00070282|0.00069016|-0.00074630|-0.00332839|0.01180042|-0.00873693|-0.10719064|-0.14293574|0.16234510|0.00004675|-0.00002006|0.00001614|0.00002386|-0.00003021|-0.00002414|0.00001328|-0.00005665|-0.00000498|-0.00007572|-0.00014948|0.00000260|0.00026718|-0.00011775|0.00135823|0.00043972|0.00034611|-0.00016969|0.00080364|0.00072273|-0.00035518|0.00009972|0.00002071|0.00001647|-0.00002412|-0.00001292|-0.00003062|0.00010275|-0.00247644|-0.00061200|0.00232370|-0.00100274|-0.00096807|0.10331758|0.00001013|-0.00005648|0.00000895|0.00035845|-0.00005918|-0.00005095|-0.00009831|-0.00012881|0.00016941|-0.00002210|-0.00008604|-0.00071441|0.00087178|-0.00017775|-0.00024638|-0.00090054|0.00041092|0.00043498|0.00518006|0.00949319|-0.00733141|-0.00084119|-0.00026831|-0.00283251|-0.00059814|-0.00493856|-0.00191931|0.00129483|-0.00118602|0.00200402|-0.01913168|-0.01896718|0.03066519|-0.10207413|-0.20246235|0.15705964|-0.00001760|0.00000910|-0.00001111|0.00001085|-0.00000081|0.00000527|-0.00001476|0.00002887|0.00000371|0.00004798|0.00009548|-0.00002016|0.00033425|-0.00046338|0.00004148|-0.00004981|-0.00024630|-0.00004593|-0.00012207|0.00098752|-0.00031838|-0.00019153|0.00014122|-0.00000358|0.00005456|0.00017886|-0.00030407|0.00142023|-0.00424814|-0.00024233|0.00014865|0.00301800|-0.00084846|0.11433007|0.21892616|-0.00006448|0.00002311|-0.00001644|-0.00003194|0.00010851|0.00008294|0.00020031|0.00023215|0.00016427|0.00172316|0.00072927|0.00207162|-0.00131828|-0.00002297|0.00086068|0.00062783|-0.00069397|-0.00054249|0.01911436|0.02338402|-0.02282638|-0.00428767|-0.00196013|-0.00792231|-0.00025151|-0.00191820|-0.00159566|0.00032300|-0.00044579|0.00108545|-0.00369866|-0.01038465|0.00947070|0.11629328|0.16870133|-0.27887201|0.00002082|0.00000045|-0.00000152|0.00002918|-0.00002540|-0.00001647|0.00000523|-0.00002959|-0.00000489|-0.00007589|-0.00004461|-0.00002920|0.00006515|-0.00062052|-0.00062410|0.00008272|-0.00036931|0.00027484|0.00039852|0.00217953|-0.00052485|-0.00004792|0.00015935|-0.00003252|0.00000147|0.00003453|-0.00019103|-0.00070523|-0.00224683|-0.00008942|0.00006998|-0.00128661|0.00128761|-0.12847344|-0.17550368|0.29799119| 164.10620 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 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 94.9450 122.9132 173.0814 206.4537 263.5266 279.7744 331.4024 355.1264 416.6773 448.6691 467.7579 540.2520 578.2892 615.7336 665.4855 695.8953 713.1492 747.1135 850.5534 895.5445 915.2208 945.3762 971.7839 999.6471 1037.6319 1057.3869 1079.9470 1134.7074 1140.2882 1166.5577 1168.0195 1205.8217 1235.0653 1265.9182 1274.7730 1318.1101 1339.5049 1373.2489 1386.1961 1407.5122 1440.8271 1478.4449 1505.6763 1554.7240 1573.9664 1575.6061 1616.6897 1633.2210 1642.4067 1649.0984 1673.1796 1715.3797 1834.2092 1847.1299 3195.3005 3206.1114 3234.1385 3239.6933 3258.6747 3304.1342 3304.2812 3321.8041 3716.0730 3786.8129 3798.4798 3922.0388 1.0655 3.1057 4.2082 3.0374 1.1314 2.3572 3.5498 2.7881 2.5859 1.9122 2.3384 4.0946 3.0111 3.1743 5.0893 3.5036 3.2688 4.7938 6.2420 2.0094 3.1924 2.0426 2.1012 2.1562 1.6143 1.8179 1.7966 2.9370 2.9010 1.7401 1.5051 1.8158 3.3333 3.3146 1.8119 1.3812 1.8717 2.6913 1.8523 1.3620 1.7379 1.9165 1.8142 2.1358 1.7104 1.3013 1.5156 1.0480 1.1559 1.3674 1.1339 8.2707 1.1750 5.3485 1.0632 1.0399 1.0671 1.1027 1.1022 1.1039 1.1005 1.0913 1.0507 1.0764 1.0933 1.0820 0.0057 0.0276 0.0743 0.0763 0.0463 0.1087 0.2297 0.2072 0.2645 0.2268 0.3015 0.7041 0.5933 0.7091 1.3280 0.9997 0.9795 1.5765 2.6606 0.9495 1.5755 1.0756 1.1691 1.2695 1.0241 1.1976 1.2345 2.2280 2.2224 1.3952 1.2098 1.5556 2.9958 3.1297 1.7348 1.4139 1.9787 2.9903 2.0971 1.5897 2.1257 2.4682 2.4232 3.0417 2.4965 1.9033 2.3339 1.6470 1.8371 2.1910 1.8703 14.3389 2.3291 10.7517 6.3957 6.2978 6.5763 6.8192 6.8961 7.1009 7.0793 7.0947 8.5483 9.0946 9.2943 9.8058 0.4862 1.3627 1.4925 0.8877 48.7351 10.1914 5.1749 7.2850 23.0711 46.2274 29.4881 3.8423 9.7925 18.0326 6.3028 7.5099 11.4784 9.6715 7.2565 126.5455 11.8640 46.8448 30.1535 62.8904 9.8692 22.1848 17.6882 42.6099 11.8698 13.6913 1.8061 34.6686 7.0197 19.1213 13.7961 24.0785 2.5862 23.6508 18.6451 10.2914 16.9109 4.5915 0.9788 18.6055 5.0536 18.2662 23.7045 5.7998 2.1448 2.0940 7.4907 23.8399 47.3317 32.3769 87.6740 39.7012 24.6525 73.2838 26.0726 25.0482 18.6307 42.4846 0.2973 2.2525 0.4875 104.2116 0.6220 1.1579 1.4912 0.6015 1.8685 1.2609 0.0564 1.8443 2.2679 4.0544 1.2118 1.2912 1.0588 1.6203 8.7630 9.5470 0.7869 4.6563 0.6865 1.7449 3.8489 8.4023 9.4324 3.4706 2.9233 3.1716 4.3977 3.2330 3.9206 4.5791 0.6252 9.3479 1.7907 4.1439 9.0051 11.2873 6.4034 7.4444 3.0852 2.1398 4.3573 2.8911 2.9605 7.3068 11.6035 1.7040 7.9876 14.6937 22.5480 7.0379 9.4189 20.2698 9.2034 7.6863 99.1811 167.4300 134.8805 66.6357 99.6197 67.7912 54.4617 141.9751 98.4951 73.6439 68.3124 109.9642 0.6610 0.7451 0.7499 0.6090 0.7426 0.7238 0.6928 0.7093 0.6099 0.4934 0.2973 0.4199 0.7215 0.3823 0.0580 0.0644 0.5947 0.3960 0.7298 0.6567 0.6973 0.3838 0.2765 0.1500 0.3061 0.7457 0.4315 0.2363 0.5886 0.5452 0.2076 0.6917 0.3313 0.3688 0.6651 0.7492 0.7132 0.6124 0.6234 0.7371 0.6881 0.6885 0.5570 0.7226 0.5929 0.7500 0.4216 0.7496 0.7368 0.7285 0.6924 0.1590 0.6976 0.4882 0.2068 0.0472 0.1728 0.7219 0.7346 0.7118 0.7465 0.2539 0.1174 0.3186 0.7244 0.3057 0.7959 0.8539 0.8571 0.7570 0.8523 0.8398 0.8185 0.8299 0.7577 0.6607 0.4584 0.5915 0.8382 0.5531 0.1096 0.1209 0.7458 0.5673 0.8438 0.7928 0.8217 0.5547 0.4332 0.2609 0.4688 0.8543 0.6028 0.3823 0.7410 0.7057 0.3439 0.8177 0.4977 0.5388 0.7989 0.8566 0.8326 0.7596 0.7681 0.8487 0.8152 0.8155 0.7155 0.8390 0.7445 0.8571 0.5931 0.8569 0.8485 0.8429 0.8182 0.2743 0.8218 0.6561 0.3428 0.0901 0.2947 0.8385 0.8470 0.8316 0.8548 0.4050 0.2102 0.4832 0.8402 0.4683
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 6 6 6 6 7 7 6 6 6 7 6 7 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 12.00000 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
1185.95024 1824.07491 2522.80063 0.99933 -0.03592 -0.00749 0.03600 0.99929 0.01127 0.00708 -0.01153 0.99991 1 0.07303 0.04748 0.03433 1.52177 0.98940 0.71537 136.60 176.84 249.03 297.04 379.16 402.53 476.81 510.95 599.51 645.53 673.00 777.30 832.03 885.90 957.49 1001.24 1026.06 1074.93 1223.76 1288.49 1316.80 1360.19 1398.18 1438.27 1492.92 1521.34 1553.80 1632.59 1640.62 1678.42 1680.52 1734.91 1776.98 1821.37 1834.11 1896.47 1927.25 1975.80 1994.43 2025.10 2073.03 2127.15 2166.33 2236.90 2264.59 2266.95 2326.06 2349.84 2363.06 2372.68 2407.33 2468.05 2639.02 2657.61 4597.32 4612.88 4653.20 4661.20 4688.51 4753.91 4754.12 4779.34 5346.60 5448.38 5465.17 5642.94 0.220784 0.230240 0.231184 0.186240 -527.432898 -527.423442 -527.422498 -527.467443 1.507463D-04
MUNgauss RevisionA2.1 retrievium 15-Nov-2022 GDB_13 Smiles: CC1=C2C(=NN1)C1CC2(N)CN1 RHF 6-31G(d) (6D,10F) C1 164.106196 |X|Y|Z| 24.259394 30.791493 14.350244
22.049056 10 6 7 7 3
|36.858105| |12.723015|36.858105| |7.263831|14.030431|36.858105| |5.177369|8.693210|13.531856|36.858105| |5.175751|8.386695|8.438189|14.742040|53.358707| |7.626962|14.003570|8.844091|9.219846|19.233391|53.358707| |3.859576|5.407999|8.129954|12.608660|9.846992|7.250570|36.858105| |3.969903|5.249796|8.191435|8.218755|7.287626|6.275772|12.355629|36.858105| |5.164548|6.895744|12.599931|8.134958|7.340916|7.084417|8.373226|12.272521|36.858105| |5.027989|5.617162|7.575691|5.223854|5.482921|5.679487|5.210447|7.489436|13.217033|53.358707| |4.158070|5.270721|7.771464|6.749555|6.533179|6.034945|8.067139|8.108357|12.228734|10.091480|36.858105| |3.603851|4.742230|6.714722|7.870012|7.440319|6.101567|12.900565|8.249601|7.957172|6.979354|12.923011|53.358707| |17.551441|8.886697|5.643682|4.486288|6.465569|9.478373|3.404384|3.488724|4.198653|5.628975|3.431995|4.225256|0.500000| |17.539641|8.873231|5.888908|4.514837|6.271495|8.838848|3.484566|3.467908|4.483371|5.909631|3.942912|4.647379|0.301493|0.500000| |17.607965|8.962406|6.770582|4.648156|5.912702|7.712612|3.709431|4.068930|5.494160|8.198820|4.238779|4.779611|0.302075|0.300865|0.500000| |6.828011|9.019733|6.105713|6.350705|12.824629|26.114406|4.233370|3.743602|4.113062|4.754278|3.620746|4.999659|0.195995|0.170869|0.139754|0.500000| |3.255134|4.337428|5.729961|8.537887|8.575896|6.183350|17.653509|8.446772|5.752166|5.589698|5.749792|12.160405|0.082455|0.082659|0.086539|0.105428|0.500000| |3.311130|4.093908|5.734451|5.753302|5.683941|4.991568|8.680448|17.547728|8.603814|8.949974|7.328682|10.150567|0.081920|0.082576|0.095728|0.085912|0.199869|0.500000| |3.977489|5.161404|7.318516|7.321645|7.119052|6.266803|8.612170|17.609231|8.640834|9.059520|5.689691|7.842315|0.100515|0.093813|0.113653|0.105623|0.196806|0.297699|0.500000| |5.424240|5.559702|6.752240|4.644365|5.112071|5.506808|4.437263|5.598735|9.406434|25.858634|6.834931|6.283454|0.119692|0.135116|0.189569|0.095567|0.099176|0.140187|0.139527|0.500000| |3.980880|4.369855|5.661034|4.405010|4.713152|4.732496|4.757138|6.955550|9.420554|25.861537|6.808670|6.599930|0.094542|0.098906|0.128559|0.082750|0.108044|0.196109|0.169083|0.328731|0.500000| |3.509483|4.150612|5.589967|4.982433|5.166979|4.840219|6.144254|6.858313|8.724531|9.478007|17.519140|12.277656|0.082474|0.093305|0.102222|0.083643|0.134939|0.203553|0.139482|0.179626|0.205744|0.500000| |4.451411|5.442859|7.162232|5.994555|6.325809|6.164952|6.107102|5.754192|8.629877|8.595417|17.550661|12.125708|0.099533|0.123348|0.123904|0.103903|0.129769|0.144056|0.125148|0.184123|0.155885|0.301128|0.500000| |3.527622|4.612566|5.989667|7.312866|7.694665|6.239897|9.244712|5.954766|6.130966|5.831132|9.219187|25.937787|0.084724|0.095554|0.092877|0.105716|0.208536|0.149361|0.128439|0.112324|0.111123|0.190153|0.233927|0.500000|
527.164825 -2721.752325 994.969571 -72.468594 -1272.086524 744.432841 -527.653683 2.000927 4068000000000002 41AB885AC8000000 414406137A2E8BA3 40DA794000000000 401C000000000000 4190806BAC000000