Version2.5 2022-06-12T15:40:24Z 10.1021/ja902302h Gaussian16 RevisionB.01 RPOIRIER 31-May-2022 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) GDB_13 Smiles: CC1=CCC2=CCCN3CC3C12 RHF 6-31G(d) (6D,7F) CC1=CCC2=CCCN3CC3C12 C1[X(C11H15N)] 75 C1 210 CC1=CCC2=CCCN3CC3C12 CC1=CCC2=CCCN3C(C12)C3 CC1=CCC2=CCCN3CC3C12 InChIKey=NOMGEUPSRKXPJM-UHFFFAOYSA-N InChI=1S/C11H15N/c1-8-4-5-9-3-2-6-12-7-10(12)11(8)9/h3-4,10-11H,2,5-7H2,1H3 InChI=1/C11H15N/c1-8-4-5-9-3-2-6-12-7-10(12)11(8)9/h3-4,10-11H,2,5-7H2,1H3 CC1=CCC2=CCCN3CC3C12 C01[X(C11H15N1)] 75 C1 210 CC1=CCC2=CCCN3CC3C12 C[C@@H]1CC[C@@H]2[C@H]1[C@@H]1C[N@@]1CCC2 C[C@@H]1CC[C@H]2CCCN3C[C@H]3[C@@H]12 InChIKey=VYIWOSRSZCYRKI-GCHJQGSQSA-N InChI=1S/C11H19N/c1-8-4-5-9-3-2-6-12-7-10(12)11(8)9/h8-11H,2-7H2,1H3/t8-,9-,10+,11+,12+/m1/s1 InChI=1/C11H19N/c1-8-4-5-9-3-2-6-12-7-10(12)11(8)9/h8-11H,2-7H2,1H3/t8-,9-,10+,11+,12+/m1/s1 4.793524709861D+02 -2.547294804371D+03 714.9485430033 -479.6477863 1-A 1969.9506 44 166 210 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -15.54430 -11.24832 -11.24414 -11.23954 -11.23558 -11.22951 -11.22918 -11.22263 -11.22256 -11.22084 -11.21775 -11.21486 -1.27616 -1.14795 -1.07475 -1.02222 -0.99531 -0.95098 -0.91209 -0.85850 -0.82511 -0.76448 -0.72051 -0.70874 -0.66504 -0.64052 -0.63262 -0.60707 -0.59467 -0.58607 -0.56851 -0.56167 -0.55096 -0.53526 -0.52167 -0.50962 -0.49464 -0.48378 -0.44989 -0.44426 -0.42872 -0.35121 -0.35015 -0.32278 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.18089 0.19190 0.23775 0.24691 0.27092 0.27482 0.28243 0.29313 0.30058 0.30946 0.31696 0.32318 0.32731 0.33296 0.34187 0.35378 0.35694 0.36155 0.39057 0.39752 0.40984 0.42321 0.43046 0.47490 0.49077 0.50795 0.52202 0.53927 0.54946 0.62397 0.67436 0.70269 0.73035 0.74607 0.75561 0.75798 0.78312 0.80020 0.81563 0.82685 0.83910 0.85426 0.86913 0.87730 0.89324 0.90645 0.92261 0.92704 0.93880 0.95145 0.97311 0.98602 0.99481 1.02051 1.03637 1.05252 1.06584 1.08707 1.11009 1.11518 1.12283 1.13418 1.14082 1.14637 1.15296 1.16327 1.17496 1.17817 1.18631 1.20038 1.20913 1.21575 1.21966 1.23564 1.25041 1.26069 1.26818 1.29132 1.32503 1.33522 1.35649 1.41047 1.41593 1.43505 1.48889 1.53598 1.55748 1.60997 1.62659 1.66448 1.68110 1.70250 1.76746 1.80579 1.85007 1.87964 1.91274 1.91635 1.99116 2.00647 2.04226 2.05666 2.11026 2.11092 2.13401 2.14338 2.15928 2.17745 2.19220 2.22430 2.23508 2.25696 2.28444 2.29140 2.31336 2.33890 2.39588 2.40652 2.43303 2.45165 2.46611 2.49562 2.52556 2.56400 2.58490 2.60099 2.61142 2.63274 2.64649 2.67161 2.70701 2.71037 2.72052 2.74387 2.74985 2.76717 2.79727 2.83224 2.84028 2.89084 2.93219 2.94924 2.98340 3.04448 3.06479 3.09577 3.11147 3.20079 3.26492 3.28475 3.32583 3.37761 3.38076 3.55859 4.47406 4.57896 4.60382 4.64021 4.65855 4.72577 4.79657 4.82123 4.93682 4.96337 5.04610 5.15925
13.70545
-0.8610 1.1650 0.1823 1.4601 |XX|YY|ZZ|XY|XZ|YZ| -71.4132 -74.2886 -72.9467 4.4201 0.4580 -0.0105
|XX|YY|ZZ|XY|XZ|YZ| 1.4696 -1.4058 -0.0639 4.4201 0.4580 -0.0105
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| -2.2883 6.8865 -0.1168 -10.6252 9.6927 1.2612 5.1956 -3.7261 5.4902 -3.3759
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY| -1555.7288 -862.1446 -225.6565 11.6895 -17.4740 19.0142 -4.1717 4.2581 -0.5940 -425.8320 -310.7825 -178.2024 1.1394 5.6240 -2.4726
0 |0.63745723|-0.03659585|0.58730197|0.01280754|-0.00162941|0.61418191|-0.15270115|-0.06651899|-0.00184057|0.59156581|-0.07475915|-0.21424157|0.00821198|-0.05707731|0.95068416|-0.00223580|0.00789255|-0.09263712|0.11483811|-0.15574955|0.28148715|0.01376240|-0.02083557|0.00497031|-0.19029569|0.15236375|-0.05805081|0.76058799|0.00897308|-0.02634030|0.00858382|0.16472608|-0.54375920|0.13459903|-0.13074269|0.85400300|-0.00046971|0.00126647|0.00809925|-0.05909875|0.12718522|-0.10968000|0.17719842|-0.15719433|0.24697541|-0.00130072|0.00184663|-0.00451023|0.00936961|-0.00476713|0.00116878|-0.17159291|-0.08220617|-0.00939405|0.51152236|0.00309268|-0.00089104|0.00355343|-0.02286523|-0.04059609|0.00109672|-0.06240452|-0.17695122|-0.00030858|0.00037991|0.65168971|-0.00412791|0.00400156|0.01413579|0.00462601|0.00754710|0.00788730|-0.01333339|-0.00623487|-0.08910158|-0.02428338|-0.02431652|0.62101497|-0.00641782|0.00317696|-0.00254221|-0.01965683|-0.03604375|0.00859205|-0.04348912|0.00493428|-0.00898497|-0.17832601|0.05107765|-0.02007188|0.94523219|0.00125716|-0.00018290|0.00053073|-0.02077410|-0.01076643|-0.00188840|-0.01680613|0.01276486|-0.00344301|0.05934252|-0.13024654|0.02083579|0.17608094|0.58597055|-0.00254696|0.00156709|0.00001619|-0.00267583|-0.00896445|0.00385718|-0.00878207|-0.00028245|-0.00064888|-0.01705181|0.01399810|-0.09298852|-0.02450888|-0.09799587|0.24252282|0.00068028|-0.00023060|0.00015307|-0.00000989|0.00150258|-0.00095311|-0.00362194|0.00372102|-0.00104207|-0.03003520|-0.01135162|0.00242052|-0.56436088|-0.18147013|0.03735064|0.92083093|-0.00194670|0.00103895|-0.00081779|0.00058402|-0.00727811|0.00268787|0.00418451|-0.00363825|0.00131284|0.01768506|0.01266765|-0.00236138|-0.19048882|-0.21457979|0.03712648|0.13802354|0.69612300|0.00058707|-0.00030572|0.00037097|-0.00043960|0.00231654|-0.00080346|-0.00140240|0.00105893|-0.00009020|-0.00570251|-0.00183320|0.00557905|0.04180782|0.03780339|-0.07607098|-0.02647960|-0.14149117|0.21819355|0.00021562|-0.00015732|0.00010144|0.00002765|0.00081420|-0.00026863|-0.00044890|0.00041980|-0.00018599|0.00064421|-0.00242974|0.00094686|-0.02567092|0.01317332|-0.00444098|-0.22071183|0.05833144|-0.01604091|0.59621882|0.00004751|0.00002129|0.00001776|0.00021962|0.00001785|0.00005279|-0.00034963|0.00058843|-0.00021912|-0.00247031|0.00003543|0.00480477|-0.01305409|0.01661718|-0.00317089|0.05410976|-0.14026650|0.01484147|0.01792861|0.58150506|-0.00010087|0.00006440|-0.00009337|-0.00000169|-0.00022420|0.00029674|0.00097397|-0.00053727|0.00053851|-0.00069350|0.00515068|0.01229237|0.00254396|-0.00355938|0.00666813|-0.01459415|0.01581518|-0.09180272|0.00483195|0.01761731|0.62799695|0.00009536|-0.00013416|0.00007347|0.00000669|-0.00125399|-0.00101433|0.00073684|0.00037857|0.00028035|-0.00003422|-0.00020756|0.00014760|0.00134845|0.00119793|-0.00017801|0.00769626|0.03595546|-0.01605911|-0.10431393|0.00596087|-0.00242589|0.67716634|-0.00006801|0.00010095|0.00014751|-0.00021869|-0.00127957|-0.00046137|0.00048289|0.00064123|0.00000144|0.00009870|-0.00051663|-0.00000583|-0.00116199|0.00244045|-0.00125520|0.00529353|-0.01309838|0.00373458|0.00236852|-0.19380667|0.05264739|-0.02472919|0.53837850|0.00004662|0.00007189|0.00031024|0.00013065|-0.00067320|-0.00118825|0.00028351|-0.00001323|-0.00002087|0.00002987|-0.00003370|-0.00010419|0.00055369|-0.00049399|0.00040272|-0.00084682|0.00268972|-0.00155148|-0.00296902|0.05049489|-0.12564320|-0.03694966|-0.00338464|0.64614727|-0.00001801|-0.00008964|-0.00062469|0.00133424|0.00442890|0.00389546|-0.00181672|-0.00077222|-0.00011649|-0.00042515|0.00005342|-0.00029536|0.00116007|-0.00146390|0.00106123|-0.00081223|0.00044432|0.00176774|-0.00030026|-0.00513614|-0.00463630|-0.12804598|-0.08832500|-0.03246091|0.52100960|0.00000455|-0.00080606|-0.00027752|0.00139120|-0.00580228|-0.00486656|0.00199272|0.00027996|0.00041739|0.00029664|0.00064644|-0.00028352|-0.00042932|0.00161574|0.00106007|-0.00130507|0.00318355|-0.00053120|-0.02279638|-0.02710929|-0.02589224|-0.04784937|-0.17932575|-0.04455159|0.11764562|0.35670934|-0.00006672|-0.00034128|-0.00043002|0.00127631|-0.00284788|-0.00106097|0.00074611|-0.00024555|0.00061773|0.00013773|0.00030052|-0.00036940|-0.00072185|0.00039446|0.00105763|-0.00171453|-0.00063072|0.00102088|0.00607576|0.00203393|0.00764916|-0.02383457|-0.07703724|-0.13197247|0.17258165|0.09256060|0.45388917|-0.00014918|0.00008517|0.00030409|-0.00030196|-0.00037416|-0.00027308|0.00011929|0.00033540|-0.00042743|0.00020864|-0.00035540|-0.00002701|0.00161778|-0.00007161|-0.00014380|-0.00013848|-0.00037961|0.00055473|0.00205481|0.00022697|0.00224727|-0.01105026|0.00875776|-0.01579230|-0.05697790|-0.01704734|-0.06730005|0.30457329|-0.00004440|-0.00002910|0.00023650|-0.00133789|0.00103013|0.00090871|0.00010147|0.00008601|0.00046429|0.00022252|0.00013493|-0.00028457|0.00022806|0.00072355|-0.00155531|0.00045649|-0.00155580|-0.00045316|0.00078790|0.00090973|-0.00263434|0.00619812|0.00259819|-0.03403860|-0.01508817|-0.09021742|0.04989877|0.00230643|0.75721470|0.00019184|-0.00006475|-0.00006707|-0.00040622|0.00078423|0.00100563|-0.00009909|-0.00028089|0.00023155|-0.00023416|-0.00003502|0.00020986|-0.00022476|-0.00099555|-0.00085099|0.00122875|-0.00118963|-0.00111923|0.00184712|0.00114297|0.00466934|-0.00437577|0.00355515|-0.01937730|-0.10841238|-0.00263376|-0.23045880|-0.09733679|0.00165194|0.72762953|0.00045548|0.00002898|-0.00019714|-0.02124714|0.02877605|0.01459844|-0.00430153|-0.00149516|-0.00077142|-0.00242534|-0.00242898|0.00297718|0.01236615|-0.00507602|-0.01001080|0.00090924|-0.00214347|0.00095736|0.00235156|-0.00005193|0.00293580|-0.02476311|0.00644632|-0.00599263|-0.27476934|-0.02398064|-0.05089131|-0.11455220|-0.00837346|0.16583199|0.65281438|-0.00044097|0.00201969|0.00061666|0.00568752|0.00765605|0.00772417|-0.00488786|-0.00049129|-0.00225965|-0.00200590|-0.00368994|0.00035817|0.01851130|-0.02533430|-0.01080068|0.00073754|0.00126715|0.00054705|-0.00350271|-0.00130128|-0.00176958|-0.03074690|-0.00215159|0.01429433|0.02315714|-0.08166765|-0.03844417|-0.01045461|-0.08337970|0.02290664|0.06757320|0.67352088|-0.00028576|0.00022135|-0.00042994|-0.00401623|0.01088298|0.00727808|-0.00282936|0.00055299|-0.00077738|0.00005928|0.00252094|-0.00095698|-0.00986987|0.00427557|0.00474499|0.00080724|-0.00060571|-0.00058734|0.00221767|0.00047487|0.00196240|-0.02329063|0.00624811|-0.00256987|0.00400953|-0.02348047|-0.04569154|0.11709931|0.01533249|-0.18963757|-0.17793870|0.00337422|0.44096784|-0.01078851|-0.00133703|-0.00317530|-0.19755563|0.00400037|-0.03475800|-0.02406390|0.01262332|-0.01401208|0.00412159|0.01988286|-0.00737604|-0.10929230|-0.02963307|0.01234293|0.00101902|-0.03080748|0.00900549|0.00155849|0.00016572|0.00032945|0.00305268|0.00237311|-0.00042451|-0.02694514|0.02899176|0.01878744|-0.00744142|-0.00061358|-0.00207608|-0.12862065|0.04204493|0.02606201|0.54421590|-0.02640716|0.00608318|-0.00801588|-0.01267421|-0.10357744|-0.00137516|0.03153093|-0.00068452|0.01207267|0.00551637|-0.02457477|0.00915582|-0.01387135|-0.19172789|0.03247627|-0.00657688|-0.00565830|0.00460231|0.00007691|0.00053874|-0.00166385|0.00002424|0.00420133|-0.00008832|-0.00031946|0.00421173|0.00164667|-0.00134135|0.00635157|-0.00109504|0.04233815|-0.18157794|-0.03769386|-0.03574407|0.58108704|0.00313313|-0.00059642|0.00426318|-0.03526273|0.00307939|-0.09939339|-0.01598655|0.00497959|0.00257860|-0.00183646|0.00450888|-0.00209488|0.00986701|0.02625636|-0.09771643|0.00214964|0.00312327|0.00475902|0.00005912|-0.00216042|-0.00731769|0.00234061|0.00074770|0.00356956|-0.01300757|0.01884967|0.00606505|0.01472986|-0.02962527|-0.00965511|0.03568716|-0.04431720|-0.10767895|0.00950328|-0.02694973|0.59058234|-0.32805001|0.05186154|-0.05252927|-0.01931405|0.00533580|-0.00477681|0.00159454|0.00160244|-0.00005447|0.00011744|-0.00035436|-0.00011199|-0.00094591|0.00048048|-0.00048392|0.00018750|-0.00051204|0.00014553|0.00006710|-0.00000452|-0.00004828|0.00008581|0.00005413|0.00013425|-0.00032428|0.00003381|-0.00015892|0.00008616|-0.00002955|-0.00000378|0.00059590|-0.00001828|-0.00014991|0.00100533|-0.00317697|0.00140164|0.35472003|0.05560705|-0.06942706|0.01159302|-0.03548098|0.00813738|-0.00816554|0.00010966|0.00154713|-0.00049264|-0.00004214|0.00025871|-0.00016357|-0.00189063|0.00017718|-0.00062887|0.00015744|-0.00059349|0.00017512|0.00010150|0.00000757|0.00000547|0.00003814|-0.00010741|-0.00012495|0.00016941|0.00043988|0.00020682|-0.00007143|0.00009363|0.00000979|0.00017205|-0.00124756|-0.00001151|-0.00087945|-0.00537438|0.00161164|-0.05707552|0.07324424|-0.05300324|0.01095422|-0.06920574|0.00180895|-0.00115479|-0.00062117|0.00034188|0.00008740|-0.00028550|0.00006129|-0.00010913|-0.00021391|-0.00017496|0.00025677|0.00018144|0.00004136|-0.00010708|0.00001794|0.00001463|0.00000154|0.00001110|0.00004794|-0.00003017|-0.00002824|0.00002287|0.00021120|0.00010065|-0.00007538|-0.00011082|0.00001814|-0.00002436|-0.00020563|0.00008117|-0.00016646|-0.00001677|0.00128752|0.05876933|-0.01212997|0.06586183|-0.06234578|0.00725002|-0.01834796|0.00338898|-0.00784950|0.02094991|-0.00177465|-0.00128587|-0.00056269|0.00085169|-0.00069155|-0.00114282|0.00056243|-0.00024513|0.00000387|-0.00008932|0.00022465|-0.00008063|-0.00000186|-0.00001670|0.00002887|-0.00006414|-0.00007779|-0.00006843|0.00011085|0.00011242|0.00003513|0.00003784|0.00005185|-0.00007053|-0.00020153|-0.00034784|0.00020924|0.00063539|0.00061640|0.00030952|0.00013334|0.01491270|-0.03406665|0.05834422|0.00748556|-0.10491106|0.10709377|0.00485121|-0.01644683|0.03189824|-0.00435686|-0.00179824|-0.00060726|0.00130308|-0.00123770|-0.00243110|0.00069725|-0.00041778|-0.00021055|-0.00015870|0.00027244|-0.00011523|0.00000626|-0.00004104|0.00001001|-0.00002932|-0.00007080|0.00003901|-0.00001227|0.00012324|0.00007442|-0.00001296|-0.00005493|0.00000184|-0.00006709|-0.00003183|-0.00027365|0.00075955|0.00111181|-0.00009291|0.00050292|-0.00335326|0.00582918|-0.00652342|0.11401833|-0.01867840|0.10580223|-0.28660403|-0.00017899|0.00096578|0.00320881|0.00089611|-0.00091081|0.00019228|-0.00015222|-0.00001553|-0.00013710|0.00005149|0.00023779|0.00012748|0.00007220|-0.00003611|0.00004365|-0.00003652|0.00001264|-0.00001568|0.00002557|0.00004042|0.00005347|-0.00006899|-0.00011657|0.00004852|-0.00012560|-0.00022732|0.00007922|0.00041548|0.00060691|-0.00008376|-0.00015170|0.00030739|0.00025687|-0.00096772|0.00135184|-0.00431520|0.02059046|-0.11822061|0.31072816|-0.09114421|0.06097184|0.06289230|0.01052579|-0.01339794|-0.01678462|-0.00139175|-0.00103143|0.00029348|0.00013614|-0.00019240|0.00139399|0.00026304|-0.00012989|0.00047535|-0.00007597|0.00010086|-0.00003612|0.00002128|-0.00000593|0.00004066|-0.00005565|-0.00018193|-0.00008427|0.00025853|0.00006964|0.00029447|-0.00025613|0.00005693|0.00015721|-0.00080522|0.00009095|-0.00067292|0.00025987|0.00057791|0.00021948|-0.01037618|0.02349577|0.02591836|0.00084115|-0.00266033|-0.00246331|0.09337575|0.06202030|-0.17999344|-0.12803748|0.01259444|-0.02428236|-0.02024468|-0.00421998|-0.00093175|-0.00046948|-0.00005790|-0.00033206|0.00297216|0.00018151|-0.00023553|0.00025586|-0.00012826|0.00005871|-0.00000996|0.00006523|-0.00002818|0.00005745|-0.00000333|-0.00027602|-0.00017799|0.00038290|0.00063443|0.00055988|-0.00036058|-0.00010038|0.00020036|-0.00019622|-0.00076164|-0.00031966|0.00053300|0.00005755|0.00058869|0.00247925|-0.00417686|-0.00379133|-0.00600113|0.01284116|0.01048003|-0.06736643|0.19671587|0.06272230|-0.12655115|-0.18481034|-0.00266936|0.00344893|0.00481477|-0.00003345|0.00094611|-0.00003514|0.00027290|-0.00007506|-0.00068113|-0.00020712|0.00001485|0.00011966|0.00002418|-0.00005452|0.00000019|0.00004550|0.00000793|0.00005371|0.00000384|-0.00013471|-0.00025798|0.00033921|0.00051862|0.00029784|-0.00009187|0.00005496|-0.00008064|-0.00023498|-0.00131015|0.00042248|0.00026209|-0.00066119|-0.00024219|-0.00175775|0.00666510|0.00665472|0.01233132|-0.02341961|-0.02361155|-0.07103871|0.13954639|0.19715854|0.00004394|-0.00016379|0.00201421|-0.00607219|-0.00251705|-0.00288228|-0.34234213|0.05460475|-0.08504426|-0.01060994|0.00908845|-0.00461464|-0.00129177|-0.00282495|-0.00063132|-0.00085352|0.00081673|-0.00029803|0.00002953|-0.00015012|0.00025513|-0.00001505|-0.00015186|0.00002661|0.00007909|0.00013030|0.00004319|0.00000334|-0.00002143|0.00005522|0.00025063|-0.00006059|-0.00016955|0.00107400|0.00037227|-0.00275735|0.00073057|0.00044645|0.00000256|0.00020213|-0.00026279|0.00004357|0.00023226|0.00034622|-0.00006812|0.35986173|0.00136066|0.00147645|-0.00143136|0.03189361|0.00194076|0.00919927|0.04936987|-0.08126053|0.01811500|-0.02120072|0.01273716|-0.00681436|-0.00359046|-0.00550859|-0.00003653|-0.00142999|0.00162337|-0.00045588|-0.00011336|-0.00022684|0.00030095|-0.00021748|-0.00030387|-0.00004900|0.00043896|-0.00023012|-0.00007353|-0.00006664|-0.00007849|0.00001019|0.00067652|0.00075947|0.00051436|0.00006891|-0.00502399|0.00307560|-0.00077988|-0.00039489|0.00001502|-0.00019139|0.00030939|-0.00008746|-0.00015089|-0.00016436|0.00006135|-0.05910866|0.07325378|0.00134169|-0.00212914|-0.00671343|-0.00961577|0.00088703|0.00425191|-0.08347647|0.01934725|-0.07012940|0.00000415|0.00084182|0.00220968|0.00019540|0.00016081|0.00165832|-0.00010572|0.00014004|0.00007616|0.00005211|-0.00015022|-0.00025542|0.00015951|0.00014037|0.00020165|-0.00063341|0.00084315|0.00015058|0.00009023|-0.00018862|-0.00018594|-0.00240859|-0.00105156|-0.00112671|-0.00319791|0.00416050|0.01201329|0.00050591|0.00022615|0.00038907|0.00007028|0.00100583|-0.00001663|-0.00007374|-0.00118015|0.00032790|0.09428538|-0.02266466|0.05682125|0.00033333|0.00014287|0.00273406|-0.00326919|-0.00088687|-0.00101739|0.01076006|-0.02004801|-0.02211773|-0.06955008|0.03710401|0.04349485|-0.00899197|0.01778621|0.02370158|0.00075253|0.00255680|-0.00169662|-0.00031708|-0.00129522|-0.00206900|-0.00013647|-0.00044930|0.00013167|0.00040248|0.00000055|0.00010930|-0.00007715|-0.00015575|0.00006960|0.00031948|0.00084420|-0.00018674|-0.00162182|0.00044694|-0.00076370|-0.00005667|0.00002550|-0.00007475|-0.00041837|-0.00078618|0.00011405|0.00002227|0.00013059|-0.00017479|-0.00013391|0.00108732|0.00053103|0.07233973|-0.00003942|-0.00006420|0.00256795|-0.00320166|-0.00047577|-0.00140529|0.00493756|-0.01953602|-0.01753070|0.03824256|-0.16519324|-0.12898615|0.00412494|-0.00888791|-0.01082064|-0.00102381|0.00016005|0.00056100|0.00031764|0.00044815|0.00095518|-0.00008538|-0.00000212|-0.00017745|0.00027436|-0.00012385|0.00009303|-0.00017158|0.00009206|0.00007759|0.00020180|-0.00032613|0.00049790|0.00065944|-0.00127272|-0.00131987|-0.00008523|-0.00000444|-0.00005688|-0.00038519|-0.00070216|0.00003374|0.00009763|0.00024612|-0.00009720|-0.00067295|0.00017079|0.00024541|-0.03980493|0.18104853|0.00026054|-0.00011987|-0.00015499|-0.00120651|0.00116835|0.00023133|-0.00099594|-0.00085961|0.00188477|0.04286138|-0.12657045|-0.20933989|-0.00082701|0.00613553|0.00985645|-0.00010582|0.00007475|0.00124617|0.00010062|-0.00011182|-0.00051810|-0.00008123|-0.00006531|-0.00001129|0.00015268|-0.00004784|0.00008322|-0.00001984|0.00003410|-0.00000475|-0.00017040|0.00024566|-0.00007357|0.00037440|-0.00022239|-0.00062282|-0.00000417|0.00001538|-0.00002045|0.00002161|-0.00000727|0.00000416|-0.00006756|-0.00010587|-0.00002254|-0.00045771|-0.00056176|-0.00013440|-0.04719792|0.14146916|0.22379424|0.00139115|-0.00103999|-0.00181102|-0.00390622|-0.00175027|-0.00093446|0.00201514|-0.01396242|0.02595748|-0.06226931|-0.01494225|0.01988823|0.00273872|0.01694270|-0.02673116|0.00142370|0.00191575|-0.00014765|0.00002365|0.00006214|0.00129325|-0.00006989|-0.00039221|-0.00005144|0.00028263|-0.00000875|0.00013082|-0.00012076|-0.00006925|0.00005110|0.00066699|0.00054229|-0.00052129|-0.00441425|0.00148636|0.00031357|-0.00000949|0.00007059|0.00006147|-0.00009462|0.00006405|0.00010448|-0.00041809|-0.00077587|0.00008016|0.00017508|0.00086503|-0.00061316|0.00031562|-0.00384329|0.00693026|0.06254293|0.00093778|-0.00097407|-0.00188748|-0.00346881|-0.00124309|-0.00001618|-0.00003166|-0.01434225|0.02146414|-0.01351875|-0.13330792|0.12439922|-0.00091392|-0.01015923|0.01293011|-0.00172016|0.00030783|-0.00065062|0.00027047|-0.00007589|-0.00104593|-0.00018279|0.00004014|-0.00005642|0.00005773|-0.00001991|-0.00002275|-0.00004204|-0.00007543|-0.00002274|-0.00037433|-0.00012044|0.00050153|0.00146416|-0.00124606|0.00159217|-0.00002179|0.00005638|0.00002000|0.00009026|0.00015154|0.00007268|-0.00029713|-0.00064046|0.00011865|-0.00030149|0.00048220|-0.00064360|0.00246988|0.01481874|-0.02039526|0.01469689|0.14616739|0.00016745|-0.00023124|-0.00057490|-0.00015326|-0.00106521|0.00039997|0.00076491|-0.00255280|0.00866829|0.01879920|0.12505830|-0.25909059|0.00105522|0.00194690|-0.00185998|0.00055233|0.00046578|0.00136636|-0.00033517|-0.00034648|0.00060812|0.00016399|-0.00006467|0.00001072|-0.00003614|0.00005952|0.00000510|-0.00001498|-0.00001591|0.00003417|0.00009919|-0.00000820|-0.00014574|-0.00063351|-0.00056526|0.00010084|0.00002412|0.00001849|-0.00000283|0.00005554|0.00010769|-0.00000912|-0.00006936|-0.00013433|0.00000332|0.00066088|0.00082301|-0.00005136|0.00319751|0.01451051|-0.02587060|-0.02361078|-0.13741158|0.27703978|-0.00050351|0.00030511|-0.00027085|0.00032425|-0.00185231|0.00069241|-0.00001722|0.00040102|-0.00012477|0.00040771|-0.00144682|0.00091042|-0.00021454|-0.03654690|0.01024875|-0.06839414|-0.01132324|0.00316517|0.00447863|0.03283101|-0.01046926|-0.00734469|-0.00038775|0.00040859|0.00099577|0.00022199|0.00067035|-0.00017508|-0.00015344|-0.00023734|-0.00071911|0.00027467|0.00009412|-0.00447031|0.00065935|-0.00076998|-0.00014076|-0.00015622|-0.00002998|0.00006043|0.00005809|0.00000737|0.00001463|-0.00001609|-0.00002147|-0.00000412|0.00006933|0.00000598|-0.00021840|0.00015275|0.00022237|-0.00020820|0.00011966|-0.00051346|0.07363822|-0.00029625|0.00019293|-0.00010212|0.00049192|-0.00052481|0.00049168|-0.00025019|-0.00001118|-0.00044691|0.00197236|0.00040315|-0.00179783|-0.00077468|-0.01380709|0.00595069|-0.01552251|-0.33603915|0.08247448|-0.00324576|-0.01245322|0.00499260|0.00381499|0.00167111|-0.00038728|-0.00035117|0.00000208|-0.00036875|0.00008089|0.00005198|0.00004437|0.00020475|0.00071676|-0.00003079|-0.00189115|0.00285529|0.00284705|-0.00008223|-0.00007854|-0.00002276|0.00005414|0.00004944|-0.00002208|0.00003421|0.00002542|0.00000583|-0.00001920|0.00006670|0.00002810|-0.00027036|0.00000004|-0.00007341|-0.00090289|0.00096285|-0.00073565|0.01677186|0.35702902|0.00034452|-0.00027775|-0.00002878|0.00021493|0.00117386|-0.00026010|-0.00027325|0.00019100|-0.00017646|0.00032030|-0.00348162|-0.00695198|-0.00096040|0.00559067|0.00556393|0.00418551|0.08315550|-0.07160376|0.00085428|0.00446705|0.00286888|-0.00130095|0.00082922|0.00117732|0.00002952|0.00003027|-0.00014424|0.00006712|0.00003017|-0.00022584|0.00062813|0.00136315|-0.00054508|0.00008774|0.00227517|0.01306259|0.00007505|0.00010464|-0.00002035|-0.00000619|0.00003843|-0.00002894|-0.00005369|-0.00004275|-0.00000981|-0.00010034|-0.00013598|0.00012912|0.00152995|-0.00086554|-0.00010869|-0.00026579|0.00084565|-0.00050128|-0.00369672|-0.09347569|0.05710429|-0.00002115|0.00005568|-0.00002552|0.00013611|-0.00013571|0.00006119|-0.00003411|0.00028646|0.00001430|-0.00071522|0.00033835|0.00252626|-0.00209439|0.00477944|-0.00191951|-0.02448136|-0.02238232|-0.02031532|-0.14073072|-0.08930716|-0.09153680|-0.00112756|0.00029234|-0.00057385|0.00186060|-0.00070873|0.00052753|0.00001169|0.00022933|-0.00002838|-0.00034784|0.00066405|0.00017295|0.00054463|-0.00003469|-0.00114269|-0.00003628|-0.00002224|-0.00000652|-0.00000423|-0.00003031|0.00002127|-0.00000641|-0.00003676|-0.00000670|-0.00009786|-0.00009180|-0.00005364|-0.00078712|0.00027779|-0.00011089|0.00011036|-0.00011016|-0.00002600|0.00138215|0.00059020|0.00083417|0.15492856|-0.00001774|-0.00002024|-0.00004791|0.00002504|0.00009008|0.00009668|-0.00017782|-0.00013003|-0.00003041|0.00004060|-0.00020919|-0.00100235|0.00176456|-0.00063457|0.00021226|0.01010918|0.01226488|0.01162710|-0.08754968|-0.15386755|-0.09266595|-0.02040550|-0.01824233|-0.02460241|-0.00104940|-0.00801071|0.00236048|0.00139712|0.00032054|0.00202398|0.00141658|-0.00065925|0.00071590|-0.00013650|-0.00044726|-0.00025260|-0.00001906|0.00002595|0.00000394|0.00002477|0.00001371|-0.00001791|0.00003019|0.00005404|0.00004497|0.00002064|0.00004852|-0.00000445|0.00036436|-0.00009783|0.00004250|0.00007114|0.00001279|0.00005685|-0.00083045|0.00090994|-0.00007565|0.09478757|0.16602174|-0.00000727|0.00002295|-0.00000398|0.00005075|-0.00002237|0.00000568|-0.00001762|0.00008596|-0.00000181|0.00004462|-0.00014071|0.00006721|0.00011126|0.00081267|-0.00028587|-0.00054064|-0.00138264|0.00061376|-0.09119587|-0.09461380|-0.15388284|0.01005077|0.01063035|0.00993059|0.00046257|0.00400607|-0.00062756|-0.00062065|0.00038575|-0.00054187|-0.00075657|-0.00013649|-0.00025845|0.00014816|0.00015779|0.00008544|-0.00001880|-0.00000848|-0.00000435|-0.00000089|-0.00000886|0.00000786|-0.00000055|-0.00001414|-0.00000654|-0.00004234|-0.00003021|0.00000141|-0.00013377|0.00002529|-0.00000325|-0.00007445|0.00001815|-0.00006243|-0.00039839|0.00046271|0.00005924|0.10095864|0.10316629|0.16458531|-0.00001999|0.00006750|0.00001798|0.00006922|-0.00012349|-0.00006508|-0.00030679|0.00042803|-0.00021503|-0.00025093|-0.00135997|-0.00232462|-0.00048451|0.00457221|-0.00124334|-0.02278939|-0.00036386|0.03160800|-0.11532576|0.00240016|0.11387094|0.00019387|0.00021697|-0.00051944|-0.00031417|-0.00012158|0.00017460|0.00003112|-0.00072471|0.00040491|-0.00034755|0.00050918|0.00032022|0.00018731|0.00061316|0.00138554|-0.00002711|-0.00003365|-0.00000670|-0.00001507|-0.00003380|0.00002190|-0.00002106|-0.00007358|-0.00002823|-0.00018263|-0.00017727|0.00004881|0.00019630|-0.00015849|0.00007751|-0.00050806|0.00026259|-0.00017925|0.00084666|0.00021280|-0.00116380|0.01105345|0.00028441|-0.01891626|0.12684264|0.00000641|-0.00003527|0.00000186|-0.00005347|0.00006652|-0.00002529|0.00004131|-0.00017318|0.00007743|-0.00013315|0.00041884|0.00057150|0.00011807|-0.00164640|0.00051884|0.00857612|0.00162301|-0.01372269|0.00378391|-0.05980088|-0.00585145|-0.01651513|0.00128074|0.03574890|0.00020286|0.00201943|-0.00012425|-0.00061590|0.00024962|-0.00131432|0.00086011|-0.00022929|0.00020324|-0.00016406|-0.00012003|-0.00012509|0.00002315|0.00001439|0.00000167|0.00000949|0.00002158|-0.00001325|0.00000136|0.00002914|0.00000631|0.00008627|0.00007334|-0.00001173|0.00012572|-0.00001531|-0.00000395|0.00023149|-0.00012132|0.00013716|-0.00060999|0.00012906|0.00042271|0.01077751|-0.00043220|-0.02098567|-0.00586282|0.06211457|0.00001570|-0.00001786|0.00000759|-0.00004641|-0.00000649|0.00000518|0.00001181|-0.00001329|0.00001200|0.00013400|-0.00010765|-0.00044520|-0.00099612|-0.00077443|-0.00002950|-0.00227295|0.00001803|0.00860756|0.11093389|-0.00239071|-0.27053028|0.00620493|-0.00087276|-0.01426523|0.00015243|0.00037678|0.00104405|-0.00074932|0.00042235|0.00008127|-0.00079300|-0.00048537|-0.00012796|0.00008185|-0.00006288|-0.00027607|0.00001391|0.00000483|0.00000161|-0.00000741|-0.00000309|-0.00000118|-0.00000106|0.00000438|0.00000304|0.00000769|-0.00000502|0.00000973|0.00003073|-0.00000569|-0.00000184|-0.00003569|0.00003410|-0.00003356|0.00098779|-0.00063310|0.00014777|0.00973829|-0.00120225|-0.02187105|-0.12155893|0.00326342|0.29628587|0.00001191|-0.00003861|0.00000585|-0.00005335|-0.00017887|0.00004533|0.00011802|-0.00002302|0.00003310|-0.00001756|0.00007620|0.00009686|0.00006666|-0.00009409|0.00015085|0.00034279|-0.00045567|-0.00054730|0.00178103|-0.00009648|-0.00290584|-0.10145259|0.00480882|0.10079560|0.00570041|-0.00395468|-0.02603777|-0.00011192|-0.00402953|-0.00248873|0.00204345|0.00128162|-0.00033598|-0.00034198|-0.00008053|-0.00010233|0.00001747|0.00000873|0.00000666|-0.00000902|0.00000861|-0.00000174|0.00000714|0.00001705|-0.00000341|0.00004346|-0.00001247|-0.00001032|0.00001721|-0.00001464|-0.00000942|0.00004006|-0.00002681|0.00001332|0.00014487|-0.00011623|0.00011454|-0.00018553|-0.00052173|0.00033319|0.00126477|0.00004830|-0.00076091|0.10439469|0.00001436|0.00000803|-0.00004949|0.00005917|0.00012443|0.00016849|-0.00006682|-0.00004179|-0.00001656|0.00004442|0.00006241|-0.00001586|0.00053166|-0.00011435|0.00001290|-0.00099431|0.00162334|-0.00072672|-0.01460194|0.00103959|0.03450451|0.00192180|-0.05998116|-0.00119798|0.00371361|-0.00389138|-0.03343561|0.00173682|-0.00503798|-0.00047200|0.00161935|0.00218344|0.00139688|-0.00029393|0.00011985|-0.00003279|-0.00001201|0.00000273|0.00000644|-0.00000373|-0.00000043|0.00001485|0.00001915|0.00002363|0.00000817|0.00000370|0.00002423|-0.00002841|0.00003439|-0.00000308|0.00001052|-0.00000709|0.00000583|-0.00000618|-0.00013562|0.00008647|-0.00026402|-0.00006389|0.00150093|-0.00076382|0.00040821|-0.00716038|0.00341466|0.00298668|0.06845083|0.00007890|-0.00006320|-0.00005579|-0.00018259|0.00017671|0.00046193|0.00005475|0.00006259|0.00004695|-0.00007603|-0.00005524|0.00001789|-0.00046083|0.00043704|-0.00017183|0.00021458|-0.00059961|0.00055291|0.00643877|-0.00044035|-0.01317742|0.09340297|-0.00380059|-0.30143272|0.00043574|-0.00535772|-0.02336458|0.00189101|-0.00474280|0.00135122|0.00117237|0.00087949|0.00129221|-0.00028516|0.00001907|-0.00098716|0.00000472|0.00002754|0.00000645|-0.00001293|-0.00001129|0.00001110|0.00001499|0.00003982|0.00002918|0.00001615|-0.00003070|-0.00008021|-0.00004887|0.00003999|0.00000132|0.00001993|-0.00003493|0.00001557|-0.00015387|0.00004062|0.00012101|0.00031500|0.00046108|0.00085484|-0.00007378|0.00315809|0.00017045|-0.10232586|0.00967469|0.33040696|-0.00004216|0.00002975|-0.00007207|0.00013798|0.00007334|0.00007611|-0.00012884|-0.00005736|-0.00001970|0.00007219|0.00005143|-0.00006568|0.00023076|-0.00046125|0.00021881|0.00147619|0.00053728|-0.00000751|-0.00013187|-0.00048433|0.00137084|-0.31450948|0.08395351|-0.01105705|-0.02052216|-0.00562012|-0.00409363|-0.00163252|0.00019359|-0.00038166|0.00134490|-0.00186414|-0.00215954|0.00065634|-0.00045806|0.00000362|-0.00005862|0.00001137|0.00000655|0.00002458|0.00000414|0.00000281|0.00004142|0.00004621|0.00003819|-0.00003582|0.00003797|-0.00001891|0.00000189|0.00004148|0.00002432|-0.00000927|0.00004088|-0.00002046|-0.00017072|-0.00005565|-0.00012348|0.00063603|0.00092949|0.00014864|0.00072512|0.00003801|-0.00072521|-0.01230578|0.00444625|0.00116293|0.34452837|0.00000851|-0.00003866|-0.00004488|0.00004129|0.00025810|0.00015229|-0.00009869|-0.00016441|-0.00001930|0.00000968|0.00017683|-0.00008446|-0.00062777|-0.00018232|0.00009781|-0.00312970|-0.00608633|0.00322947|0.03592063|-0.01202121|0.00199635|0.08714102|-0.08252090|0.00586684|-0.03563900|0.00151595|-0.00390927|-0.00136570|0.00045239|-0.00016243|-0.00279722|-0.00206880|-0.00338653|0.00015144|-0.00076708|-0.00032702|-0.00000942|0.00004128|0.00001611|0.00002172|0.00002434|-0.00001662|0.00004884|0.00009137|0.00005075|0.00005616|0.00007569|-0.00002922|0.00011845|-0.00000998|0.00001166|0.00006700|0.00002500|-0.00002213|0.00192975|-0.00108121|0.00038338|-0.00001242|0.00085370|-0.00099226|-0.00037152|0.00175821|0.00011174|0.00014737|0.00048517|-0.00005015|-0.08146520|0.09895353|0.00002467|-0.00002734|-0.00003553|-0.00005899|0.00003217|0.00021449|0.00002144|0.00006042|0.00001335|-0.00006414|-0.00006064|0.00003595|0.00003230|0.00005749|-0.00002465|0.00161275|0.00376123|-0.00044076|-0.01836951|0.00789851|-0.00043604|-0.00627765|0.00560310|-0.06406322|-0.02451622|-0.00102496|0.00023796|-0.00108431|0.00086479|-0.00045793|-0.00087834|-0.00220629|-0.00129260|0.00008336|-0.00007373|-0.00030284|-0.00000795|0.00001583|0.00000608|-0.00000275|-0.00000652|0.00000275|0.00001069|0.00002618|0.00002645|-0.00001157|-0.00001910|-0.00003818|-0.00002050|0.00002418|-0.00000952|0.00002692|-0.00000739|0.00001465|-0.00100325|0.00051570|-0.00007643|0.00054385|-0.00059602|0.00054532|-0.00063000|-0.00099710|0.00034058|0.03471416|-0.01119910|0.00354117|0.01652612|-0.00248487|0.06223665|-0.00009879|0.00021954|0.00004481|0.00062556|0.00002002|0.00006180|-0.00025073|-0.00007756|-0.00017218|0.00001985|0.00001720|-0.00000981|-0.00028160|-0.00086546|0.00028668|-0.00009980|0.00018176|-0.00021870|-0.00010549|0.00051189|-0.00018701|0.00278164|0.00030013|-0.00504485|0.00294652|-0.02528645|-0.01125926|-0.05888811|0.03779994|0.03323887|-0.00207486|0.02966830|0.00942317|0.00134620|-0.00191244|0.00519996|-0.00004291|-0.00006486|-0.00002434|0.00003109|-0.00000612|-0.00002032|-0.00003062|-0.00008063|-0.00000889|-0.00005076|0.00006461|-0.00000579|0.00002711|0.00001705|0.00001076|0.00000695|0.00005185|-0.00001723|0.00010786|0.00001420|-0.00000735|0.00006500|-0.00011739|0.00006301|0.00016585|-0.00002309|0.00012365|-0.00104911|-0.00126319|-0.00131663|-0.00004246|0.00019513|0.00004928|0.05404932|0.00004016|-0.00006457|-0.00003023|-0.00004297|-0.00002351|-0.00008137|-0.00000307|-0.00006180|0.00000784|-0.00009147|0.00004698|-0.00006554|-0.00050052|-0.00037249|-0.00030762|0.00034531|0.00010507|-0.00052608|0.00028222|-0.00000134|0.00032597|0.00036494|0.00004631|0.00078747|-0.00166479|0.00962049|0.00258105|0.03559443|-0.26655447|-0.14271867|-0.00156601|0.00472506|0.00530433|0.00006634|-0.00035174|0.00106238|0.00002033|0.00002159|0.00001270|-0.00000125|0.00002226|0.00001412|0.00001849|0.00005811|0.00000076|0.00004751|0.00002409|0.00000843|0.00010809|-0.00003018|0.00000918|0.00002691|0.00000556|0.00002379|0.00001203|-0.00007293|-0.00004464|-0.00002784|-0.00000595|-0.00019379|0.00025285|0.00004893|-0.00002558|0.00006068|0.00010018|0.00002186|-0.00001388|0.00002450|-0.00008821|-0.03768881|0.27037556|0.00005910|-0.00010314|-0.00001326|-0.00026778|-0.00010847|0.00003706|0.00019702|0.00005819|0.00007917|0.00003339|-0.00001426|0.00000093|0.00031547|0.00049008|0.00012725|-0.00029847|0.00002909|0.00040337|-0.00021472|0.00018446|-0.00068807|0.00472025|0.00099755|-0.00276747|-0.00284605|-0.01632835|-0.02335925|0.02915994|-0.13926055|-0.15813882|-0.00118076|-0.00959705|-0.00963376|-0.00098705|0.00122037|-0.00149746|0.00003436|0.00001536|0.00001142|-0.00002993|-0.00000521|0.00001743|0.00000595|-0.00000162|-0.00001397|0.00003377|-0.00005172|0.00000404|-0.00004097|-0.00001284|-0.00000698|0.00000246|-0.00004845|0.00000998|0.00004095|-0.00004759|0.00004325|-0.00001831|-0.00021650|0.00020609|-0.00018154|-0.00006903|0.00019268|-0.00092050|-0.00123168|-0.00092652|-0.00020467|0.00004634|0.00023901|-0.02679896|0.15310421|0.18096970|-0.00006442|-0.00010636|0.00000136|-0.00002152|-0.00021713|0.00002467|-0.00003264|0.00012580|-0.00012998|-0.00005980|0.00016071|-0.00002760|-0.00094109|0.00077021|0.00032197|0.00058942|0.00013479|0.00001303|-0.00013259|-0.00121230|-0.00069105|0.00172781|0.00050298|0.00334885|0.00114538|0.02854131|-0.01548924|-0.05033731|-0.01992363|0.01071911|-0.00008451|-0.03362702|0.01035516|0.00059427|0.00055123|-0.00224907|-0.00002655|0.00006709|0.00000045|0.00004661|0.00003113|-0.00009038|0.00005930|0.00004023|0.00010116|0.00000192|0.00000955|0.00001666|0.00001684|-0.00000352|-0.00001823|-0.00006343|0.00011325|-0.00000224|0.00001986|0.00002716|0.00008378|-0.00021834|0.00025111|0.00022495|-0.00096828|-0.00124135|-0.00046070|0.00020548|0.00000393|0.00047906|0.00006834|0.00010370|0.00002600|0.00156531|0.00493774|-0.00212705|0.04684762|-0.00001552|-0.00002043|-0.00002087|0.00009541|-0.00009627|-0.00000201|-0.00000926|0.00004394|-0.00003011|-0.00003269|0.00015727|0.00013403|0.00037641|-0.00079004|-0.00139308|-0.00003045|-0.00185989|-0.00218871|-0.00037514|-0.00067658|-0.00003168|-0.00131870|0.00037885|-0.00063070|0.00212406|0.00409688|0.00279367|-0.01920457|-0.31839776|0.12214679|-0.00001603|0.00089290|-0.00011472|0.00083407|-0.00049069|0.00012668|-0.00001751|0.00001451|0.00000775|0.00001778|0.00000872|-0.00002014|0.00002332|-0.00000362|0.00003125|-0.00002014|-0.00000019|0.00001053|-0.00005037|0.00003399|-0.00000531|0.00000528|0.00001132|0.00001337|0.00001295|-0.00015890|-0.00021926|0.00013388|0.00030332|-0.00030001|-0.00018985|-0.00048436|-0.00095340|0.00013138|0.00012699|0.00019105|0.00001267|-0.00006480|-0.00004425|-0.00262434|-0.01881721|0.01159316|0.01990546|0.33540837|-0.00000274|0.00000462|-0.00001068|0.00007346|-0.00044985|-0.00019841|0.00021671|0.00011072|0.00004721|0.00014724|-0.00010872|0.00014376|0.00120577|0.00022658|-0.00017692|-0.00051555|-0.00143176|0.00012331|-0.00077018|-0.00066660|-0.00080771|0.00111936|0.00221958|0.00342905|0.00671313|0.02504313|-0.02007363|0.00856033|0.11252195|-0.12089338|-0.00403119|0.01220005|-0.00934708|0.00070471|0.00099631|0.00105739|0.00000959|-0.00002707|0.00000581|-0.00003683|-0.00001886|0.00003737|-0.00002557|-0.00003857|-0.00003619|-0.00003493|-0.00007424|0.00004889|-0.00015256|0.00002558|-0.00003136|-0.00004783|-0.00001710|-0.00003464|0.00006503|0.00003361|-0.00001903|0.00004965|-0.00009466|0.00039054|-0.00061112|-0.00054899|0.00027395|0.00013179|-0.00008431|0.00024826|-0.00022696|-0.00024932|-0.00008978|-0.00186733|-0.01846050|0.01389072|-0.00981839|-0.13092738|0.13310674|-0.00152935|0.00020272|-0.00059356|0.00090781|-0.00042594|-0.00071803|0.00012800|-0.00009224|0.00005009|0.00061558|0.00069238|-0.00041516|-0.00276981|0.00165832|0.00231573|-0.00042304|0.00047753|-0.00025649|-0.00098426|-0.00057500|-0.00109240|-0.00170359|-0.00004146|0.00619582|-0.02760396|-0.02802975|0.00170163|-0.00650895|-0.00291495|0.00075089|-0.09723896|-0.10415207|0.02505442|0.01017589|0.01918583|-0.00363148|-0.00003060|0.00014203|0.00007615|-0.00016847|-0.00010767|0.00004667|-0.00166117|0.00033911|0.00000800|-0.00004238|-0.00001502|0.00011762|-0.00008273|0.00003233|0.00002151|-0.00019617|0.00011765|-0.00003912|0.00028518|-0.00004756|-0.00023511|0.00020152|-0.00068692|0.00015890|0.00015539|0.00006248|0.00002920|0.00028139|0.00004180|-0.00031801|-0.00050637|-0.00050821|-0.00039428|0.00067434|-0.00041849|0.00112010|-0.00033292|0.00043539|-0.00058215|0.12785857|-0.00047690|-0.00048759|-0.00044855|-0.00108009|-0.00044132|-0.00003149|0.00021029|0.00004549|0.00008615|-0.00075452|-0.00082122|0.00026834|0.00399452|-0.00089670|-0.00322829|0.00032931|-0.00010489|0.00029554|0.00020596|-0.00009218|-0.00005354|0.00068037|0.00054038|0.00038933|-0.00161786|0.00967185|-0.00077495|0.00146136|0.00045520|-0.00179163|-0.10641165|-0.31031260|0.04610506|-0.01132289|-0.02298866|0.00694000|-0.00021089|0.00066028|0.00014499|0.00025686|0.00011904|-0.00038756|-0.00025825|0.00094877|0.00074840|0.00014367|0.00001064|0.00004543|0.00028425|-0.00011182|0.00000106|0.00028495|-0.00011680|0.00003746|-0.00017047|-0.00005329|0.00026309|-0.00017172|0.00006973|-0.00003570|-0.00008187|0.00009992|-0.00001917|-0.00007110|-0.00013845|-0.00000450|-0.00008438|0.00003503|-0.00002129|-0.00064371|0.00085795|-0.00003942|0.00024149|0.00033437|-0.00013490|0.11544740|0.32194371|0.00008010|0.00011044|0.00065724|-0.00012553|0.00058653|0.00024819|-0.00010325|-0.00002910|-0.00004269|-0.00029292|-0.00059756|0.00024411|0.00276823|-0.00071353|-0.00069266|-0.00020885|-0.00015765|0.00013441|0.00021399|0.00009790|-0.00035482|-0.00338678|-0.00036618|0.00150794|-0.00413088|-0.01924134|0.00338283|0.01043735|0.03391809|-0.00389929|0.02764437|0.04797858|-0.06783361|-0.00523060|-0.01282772|0.00422843|0.00009180|-0.00011776|-0.00020266|0.00021579|0.00004528|-0.00016975|-0.00052505|-0.00013853|-0.00019301|0.00002799|-0.00000057|-0.00000446|0.00002606|-0.00007391|-0.00000355|0.00011760|-0.00013542|0.00003671|-0.00010057|-0.00003004|0.00009080|-0.00005550|-0.00001320|0.00019894|-0.00025745|-0.00006610|0.00026533|0.00020471|0.00014797|0.00009566|-0.00047293|-0.00031557|-0.00044842|-0.00257928|-0.00088081|0.00099873|0.00579843|-0.00032596|-0.00129415|-0.02928985|-0.04755106|0.06262131|0.00074802|0.00100359|0.00041989|-0.00401490|0.00629555|-0.04027181|-0.00391272|-0.00176589|-0.00088347|-0.00047460|-0.00098483|-0.00120152|-0.00035676|-0.00157882|0.01287000|0.00098912|-0.00135132|0.00011653|-0.00029692|-0.00025439|0.00072995|-0.00020515|0.00023546|0.00074947|0.00158914|-0.00229431|-0.00172417|-0.00002463|0.00484712|0.00182908|-0.00161926|0.00052200|0.02654214|-0.05489099|-0.00139891|-0.00879322|0.00009823|0.00018162|0.00047289|-0.00008370|-0.00072402|0.00052245|0.00018390|0.00014073|0.00011600|-0.00099560|0.00120369|0.00278864|0.00015611|0.00011275|0.00021470|0.00055478|0.00031679|0.00009729|-0.00012542|-0.00044367|-0.00118248|-0.00004196|-0.00000455|-0.00003140|-0.00017040|0.00022641|-0.00005817|-0.00095398|-0.00014277|-0.00044732|0.00015195|0.00006416|-0.00035207|-0.00139737|-0.00015892|0.00039399|0.00039524|-0.00020350|-0.00027343|0.00049906|-0.00018414|-0.00086701|0.06419882|0.00025230|0.00028411|-0.00031401|0.00213390|0.00082918|-0.00265560|-0.00008419|0.00031592|0.00059717|0.00027981|-0.00086794|-0.00020056|-0.00245080|-0.00381869|0.03444397|0.00171035|-0.00156013|-0.00025663|-0.00008248|0.00003966|0.00148598|0.00000232|-0.00063497|0.00029906|-0.00156427|0.00243343|0.00275165|-0.00004686|-0.00528276|-0.00177943|0.00466434|0.00160982|-0.03320583|-0.00179577|-0.06073462|0.02641025|0.00001540|0.00001506|0.00016640|-0.00002260|-0.00002091|0.00015156|0.00003544|0.00014232|0.00002425|0.00011191|0.00011530|-0.00000911|0.00011686|-0.00016170|-0.00006771|0.00036171|-0.00060471|-0.00009921|-0.00019027|-0.00087190|-0.00228107|-0.00007686|0.00026724|-0.00014503|-0.00055160|0.00027132|-0.00007154|0.00013902|0.00040090|-0.00003856|0.00011701|0.00023462|-0.00000279|0.00159243|0.00027355|-0.00060292|-0.00018757|0.00004932|-0.00004932|-0.00081969|0.00077316|0.00069722|-0.00365984|0.06650341|-0.00033578|0.00047848|-0.00017338|-0.00477238|0.00281966|-0.00984852|-0.00129331|-0.00156978|0.00100486|0.00021728|0.00083420|-0.00136350|0.00145118|0.00340070|-0.00538698|-0.00113448|0.00046598|0.00096066|0.00009378|0.00011962|-0.00009205|0.00043341|-0.00006382|-0.00148675|0.00016164|0.00065719|0.00190210|-0.00105884|-0.00358760|0.00028459|0.00333272|-0.00050305|-0.01795128|-0.00529851|0.02222144|-0.31612512|-0.00013648|-0.00017666|0.00028546|-0.00038491|-0.00071171|0.00017382|0.00017960|-0.00002462|0.00008923|-0.00035990|0.00040732|0.00044312|0.00002492|0.00022564|-0.00016310|-0.00013302|0.00039947|-0.00007653|0.00027058|0.00028655|0.00033256|0.00005652|0.00001023|-0.00000222|0.00004416|-0.00025221|0.00013320|-0.00019587|0.00016443|0.00097115|0.00007052|0.00013128|0.00026151|0.00103591|0.00015896|-0.00018527|-0.00041071|0.00015930|0.00020995|-0.00008108|-0.00080281|0.00042843|0.00822305|-0.02524817|0.34537404| 161.12045 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 73 74 75 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 62.6541 153.8621 194.0240 231.3884 252.1816 257.6290 314.7831 319.8827 378.4838 429.4106 464.6272 500.4170 536.4265 592.4462 652.2066 678.2647 762.7622 786.0724 854.8667 897.5015 942.1802 957.1079 980.3215 1005.5293 1021.1359 1040.0167 1058.7200 1104.0294 1122.2609 1129.6706 1145.6986 1171.0749 1184.7620 1190.7560 1232.5602 1251.3046 1288.2768 1293.9269 1302.1203 1304.2151 1364.8387 1399.5264 1417.3587 1438.4540 1460.6429 1472.9140 1485.3454 1516.0420 1537.9562 1544.7248 1566.2032 1573.1644 1627.0909 1632.1767 1634.4429 1638.9696 1651.6212 1675.7987 1889.6683 1926.1124 3131.9324 3177.5416 3178.4797 3194.6320 3196.7353 3219.8194 3220.5001 3244.6257 3250.3423 3277.8070 3301.2059 3302.6196 3310.3564 3367.9847 3393.0258 3.0214 2.8655 1.5023 2.0717 2.9486 1.8275 2.0522 2.8888 3.2034 2.8806 3.9185 3.1249 2.9390 3.2376 3.3347 2.6270 2.8035 3.6512 2.9530 1.2183 2.6883 1.6709 2.9598 2.6215 1.9088 2.5323 2.0061 1.7581 1.5048 1.7754 1.6373 1.5270 2.1475 1.6655 1.6667 1.5129 1.2835 1.8221 1.8212 1.4819 1.2136 1.4248 1.2480 1.4088 2.1568 1.5806 1.7873 1.8628 1.5577 1.4259 1.4649 1.4601 1.0463 1.0957 1.0981 1.0571 1.0892 1.3538 7.3673 8.1579 1.0821 1.0630 1.0692 1.0395 1.0965 1.0942 1.0654 1.0999 1.1068 1.1013 1.0726 1.0891 1.0736 1.0953 1.1152 0.0070 0.0400 0.0333 0.0654 0.1105 0.0715 0.1198 0.1742 0.2704 0.3129 0.4984 0.4611 0.4983 0.6695 0.8357 0.7120 0.9610 1.3293 1.2715 0.5782 1.4060 0.9018 1.6759 1.5617 1.1727 1.6138 1.3248 1.2625 1.1166 1.3349 1.2662 1.2339 1.7760 1.3913 1.4918 1.3957 1.2551 1.7974 1.8193 1.4851 1.3319 1.6443 1.4772 1.7175 2.7111 2.0204 2.3233 2.5226 2.1709 2.0046 2.1172 2.1290 1.6320 1.7198 1.7283 1.6730 1.7506 2.2400 15.5000 17.8318 6.2535 6.3237 6.3645 6.2505 6.6017 6.6838 6.5107 6.8226 6.8892 6.9711 6.8869 6.9989 6.9319 7.3200 7.5645 0.1683 0.0712 0.4522 0.5312 0.1346 1.1071 4.0518 0.9575 2.3489 3.8449 1.1101 2.2199 1.0980 7.1844 1.3599 4.9143 3.3066 10.5744 1.4227 2.6538 13.7742 4.8424 12.2006 14.8654 2.5563 6.4602 0.7574 2.9492 6.0489 15.6367 4.2939 0.1963 0.5468 9.3709 1.2492 1.0744 2.4971 9.6921 2.0871 5.7357 6.2717 4.8313 0.6076 4.5304 9.0396 5.4819 21.8838 19.3008 2.2417 18.3561 3.2811 9.3887 6.6584 3.1467 0.2185 5.8964 1.2741 6.9194 3.2474 0.4265 30.7251 41.5396 54.7332 34.3070 16.8259 25.5342 114.3739 30.5924 56.9896 37.2645 40.5788 35.4446 38.9498 28.9815 22.1450 0.8002 2.6490 0.6369 1.3472 1.4144 0.2231 0.3719 3.2765 1.1613 2.4893 3.7817 4.4339 3.8059 9.5934 3.7895 7.0289 2.0249 7.4055 9.9382 7.1069 5.7690 0.7020 4.7758 7.2980 5.6893 7.3919 3.8737 2.8712 5.8994 4.6898 3.4094 2.2345 4.6880 3.5775 3.4586 3.2763 5.1438 5.1837 6.7901 5.1298 2.1110 3.0943 8.2904 2.6306 11.7118 6.6635 6.8390 4.4112 2.3957 9.2540 10.5106 4.2755 20.1746 25.9653 19.8706 18.2738 10.2877 4.4479 41.2024 27.1022 67.5792 129.2448 141.6262 133.6820 110.1393 104.0923 143.5703 75.1745 94.3828 88.1430 41.8103 95.0591 186.9625 146.4597 39.4835 0.7455 0.7487 0.5095 0.4454 0.6699 0.5083 0.4754 0.7113 0.6468 0.7180 0.7227 0.2536 0.7305 0.1635 0.4490 0.2328 0.5274 0.4721 0.1799 0.7497 0.7352 0.4354 0.1018 0.6639 0.7408 0.7288 0.3314 0.6031 0.6273 0.7428 0.4914 0.6275 0.5691 0.5676 0.7002 0.6812 0.7158 0.2581 0.7339 0.7428 0.7193 0.6236 0.5897 0.4633 0.7493 0.7424 0.0818 0.6104 0.7495 0.4985 0.7222 0.1260 0.7498 0.6419 0.4313 0.7328 0.6216 0.7195 0.1111 0.5547 0.2604 0.1468 0.2222 0.0193 0.7464 0.4225 0.1488 0.7382 0.6472 0.6467 0.6951 0.3051 0.1138 0.2936 0.7020 0.8542 0.8563 0.6751 0.6163 0.8024 0.6740 0.6444 0.8313 0.7856 0.8358 0.8390 0.4046 0.8443 0.2811 0.6198 0.3777 0.6906 0.6414 0.3050 0.8569 0.8474 0.6066 0.1848 0.7980 0.8511 0.8431 0.4978 0.7524 0.7710 0.8524 0.6590 0.7711 0.7254 0.7242 0.8236 0.8104 0.8344 0.4103 0.8465 0.8524 0.8367 0.7682 0.7419 0.6332 0.8567 0.8522 0.1511 0.7581 0.8568 0.6654 0.8387 0.2237 0.8570 0.7819 0.6027 0.8458 0.7667 0.8369 0.2000 0.7136 0.4131 0.2560 0.3635 0.0378 0.8548 0.5940 0.2591 0.8494 0.7858 0.7854 0.8201 0.4675 0.2044 0.4539 0.8249
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 27 6 6 6 6 6 6 6 6 7 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783
1149.97218 2105.30191 2912.43542 0.99934 0.03645 0.00078 -0.03645 0.99932 0.00597 -0.00057 -0.00599 0.99998 1 0.07532 0.04114 0.02974 1.56938 0.85724 0.61967 90.15 221.37 279.16 332.92 362.83 370.67 452.90 460.24 544.55 617.83 668.49 719.99 771.80 852.40 938.38 975.87 1097.44 1130.98 1229.96 1291.30 1355.59 1377.06 1410.46 1446.73 1469.19 1496.35 1523.26 1588.45 1614.68 1625.34 1648.40 1684.92 1704.61 1713.23 1773.38 1800.35 1853.54 1861.67 1873.46 1876.47 1963.70 2013.61 2039.26 2069.61 2101.54 2119.19 2137.08 2181.25 2212.78 2222.51 2253.42 2263.43 2341.02 2348.34 2351.60 2358.11 2376.31 2411.10 2718.81 2771.25 4506.15 4571.77 4573.12 4596.36 4599.39 4632.60 4633.58 4668.29 4676.52 4716.03 4749.70 4751.73 4762.86 4845.78 4881.81 0.255761 0.265438 0.266383 0.220871 -479.392025 -479.382348 -479.381404 -479.426916 1.526480D-04
MUNgauss RevisionA2.1 retrievium 12-Jun-2022 GDB_13 Smiles: CC1=CCC2=CCCN3CC3C12 RHF 6-31G(d) (6D,10F) C1 161.120450 |X|Y|Z| 25.102810 34.179198 13.098872
22.399554 11 6 7 10 1
|36.858105| |12.687967|36.858105| |7.568390|14.431843|36.858105| |4.993671|8.076550|12.669119|36.858105| |4.974360|7.999525|8.052538|12.499506|36.858105| |3.757377|5.195580|5.254162|7.618579|14.431828|36.858105| |3.266940|4.129033|3.896862|4.824497|7.457817|12.650450|36.858105| |3.518008|4.238209|3.693569|4.141333|6.192477|7.334884|12.457399|36.858105| |4.202605|4.888516|3.971282|4.110675|5.933811|5.951245|7.424565|13.111338|53.358707| |4.510993|5.321689|4.383740|4.438503|6.133555|5.895704|6.380673|7.483478|17.964602|36.858105| |6.118973|7.468501|5.314791|5.047893|7.278545|5.974640|5.896394|7.576703|18.054649|12.891928|36.858105| |7.189856|12.487437|8.084953|7.704150|12.462825|7.409813|5.895384|6.372966|10.023363|7.189936|12.513111|36.858105| |17.576553|8.894509|7.140515|4.601678|4.224050|3.283611|2.836836|2.965787|4.646661|3.687355|4.590796|5.373354|0.500000| |17.517656|8.871749|5.868680|4.323539|4.485864|3.501239|3.143053|3.503323|5.623534|4.120923|5.758614|6.579033|0.301060|0.500000| |17.540373|8.848139|5.944087|4.317699|4.494056|3.552824|3.201287|3.505097|5.994859|4.975218|6.462408|6.325444|0.301650|0.302563|0.500000| |6.724702|8.974279|17.703891|8.391694|5.601837|4.128822|3.213579|3.057552|4.458214|3.615475|4.191067|5.614210|0.207824|0.146006|0.149385|0.500000| |4.306812|6.259487|8.855399|17.487225|8.755464|6.465520|4.338830|3.745670|4.861114|3.661771|4.182873|6.104505|0.113558|0.109067|0.102171|0.196838|0.500000| |4.189121|6.037191|8.773493|17.532107|8.755095|6.895638|4.510660|3.725896|5.029715|4.154793|4.338795|5.756106|0.110694|0.100258|0.105705|0.199754|0.303149|0.500000| |3.257618|4.350484|4.724893|7.170695|9.294471|17.634291|8.742873|5.389139|6.131886|4.614535|4.514413|5.432001|0.081895|0.084055|0.085531|0.108188|0.181089|0.204894|0.500000| |2.840582|3.493191|3.376378|4.181471|5.810034|8.983054|17.494651|8.969275|7.530733|4.709803|4.539832|4.691692|0.069867|0.077222|0.076536|0.079383|0.110781|0.109602|0.216606|0.500000| |2.999771|3.685372|3.527324|4.258513|5.967971|8.987731|17.488405|8.867087|9.040446|6.511909|5.233403|4.886953|0.073309|0.079005|0.083708|0.082750|0.104800|0.117076|0.209713|0.306019|0.500000| |3.602423|4.315298|3.723978|4.132415|6.034806|6.589309|8.850397|17.550871|12.615460|5.775604|6.881849|6.549771|0.084184|0.103187|0.096666|0.085617|0.107771|0.099794|0.138037|0.217269|0.173955|0.500000| |2.985027|3.436384|3.056481|3.373633|4.616760|5.469110|8.969824|17.558986|12.656558|6.034712|5.638108|4.704271|0.071363|0.083248|0.083807|0.072456|0.086532|0.086801|0.123252|0.221449|0.218807|0.304538|0.500000| |4.115305|4.459592|3.734960|3.652692|4.605133|4.454696|4.838982|5.626300|12.128343|17.687473|8.564266|5.350078|0.095581|0.104919|0.132383|0.089253|0.085685|0.097300|0.103311|0.106536|0.142876|0.127038|0.140324|0.500000| |4.121629|5.134359|4.582540|4.964202|6.916776|7.135723|7.266826|6.861447|11.889095|17.726993|8.682718|6.693288|0.096974|0.102338|0.121965|0.104568|0.110710|0.135257|0.156375|0.143185|0.224872|0.146247|0.154591|0.292596|0.500000| |6.902829|6.903260|4.768744|4.224332|5.391447|4.497333|4.477075|5.720699|12.361150|8.687517|17.665853|8.776903|0.138308|0.191008|0.219533|0.109518|0.100604|0.101992|0.100474|0.102195|0.113550|0.154288|0.130202|0.210355|0.171602|0.500000| |6.396508|8.964651|6.437743|6.256941|8.864953|6.288592|5.409928|6.247647|8.959179|5.579591|9.061386|17.432072|0.136810|0.187077|0.150707|0.134616|0.157355|0.131453|0.133453|0.127772|0.120722|0.205409|0.130310|0.122855|0.141447|0.211935|0.500000|
479.352322 -2547.294175 942.564100 -69.218630 -1194.596382 714.948594 -479.647788 2.000616 4071BFFFFFFFFFF8 418F1FF7B7FFFFF8 4126A2E2B45D1740 41119DA400000000 C02E000000000000 41B19AD9ED000001