Version2.5 2022-04-05T11:07:00Z 10.1021/ja902302h Gaussian16 RevisionB.01 RPOIRIER 08-Feb-2022 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) GDB_13 Smiles: CC(=C)C12CCC(C=C1)C2C#C RHF 6-31G(d) (6D,7F) CC(=C)C12CCC(C=C1)C2C#C C1[X(C12H14)] 72 C1 208 CC(=C)C12CCC(C=C1)C2C#C C#CC1C2CCC1(C=C2)C(=C)C CC(=C)C12CCC(C=C1)C2C#C InChIKey=KMGSONUOWNBYFO-UHFFFAOYSA-N InChI=1S/C12H14/c1-4-11-10-5-7-12(11,8-6-10)9(2)3/h1,5,7,10-11H,2,6,8H2,3H3 InChI=1/C12H14/c1-4-11-10-5-7-12(11,8-6-10)9(2)3/h1,5,7,10-11H,2,6,8H2,3H3 CC(=C)C12CCC(C=C1)C2C#C C01[X(C12H14)] 72 C1 208 CC(=C)C12CCC(C=C1)C2C#C CC[C@@H]1[C@@H]2CC[C@]1(CC2)C(C)C CC[C@@H]1C2CCC1(CC2)C(C)C InChIKey=VUBLRRPBLFAPCY-UTUOFQBUSA-N InChI=1S/C12H22/c1-4-11-10-5-7-12(11,8-6-10)9(2)3/h9-11H,4-8H2,1-3H3/t10-,11-,12+/m1/s1 InChI=1/C12H22/c1-4-11-10-5-7-12(11,8-6-10)9(2)3/h9-11H,4-8H2,1-3H3/t10-,11-,12+/m1/s1 4.622034611571D+02 -2.452566760610D+03 687.9746489233 -462.444802 1-A 1823.6440 43 165 208 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -11.24860 -11.24580 -11.23374 -11.23304 -11.22209 -11.22136 -11.22032 -11.21840 -11.21766 -11.21709 -11.20691 -11.20536 -1.19464 -1.07862 -1.03127 -1.01454 -0.96744 -0.95132 -0.92685 -0.81092 -0.80285 -0.74808 -0.71450 -0.70185 -0.66765 -0.65893 -0.61280 -0.59588 -0.58453 -0.57341 -0.55481 -0.53318 -0.52583 -0.51060 -0.49781 -0.48156 -0.47868 -0.46196 -0.44320 -0.37468 -0.36501 -0.34532 -0.33871 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.17434 0.19363 0.22421 0.23088 0.24060 0.25805 0.26909 0.28220 0.28703 0.29008 0.30199 0.30487 0.32014 0.32577 0.35550 0.36121 0.36968 0.38121 0.39196 0.39917 0.40559 0.43873 0.45609 0.46199 0.48625 0.50346 0.52850 0.54945 0.55381 0.59015 0.63317 0.67408 0.70690 0.72790 0.72933 0.74636 0.77472 0.78959 0.80484 0.83096 0.83459 0.84808 0.87180 0.87535 0.88649 0.90181 0.91169 0.92730 0.94014 0.94523 0.95997 0.97713 0.97904 0.99648 1.00482 1.04326 1.08230 1.09034 1.10418 1.10898 1.12286 1.12656 1.13618 1.14608 1.16133 1.16796 1.18225 1.18665 1.19089 1.20704 1.21583 1.22655 1.23962 1.24281 1.26986 1.28032 1.30160 1.32467 1.35941 1.37101 1.42041 1.43785 1.47080 1.54157 1.57902 1.63464 1.64296 1.65375 1.69592 1.72824 1.74722 1.81118 1.82377 1.82926 1.84429 1.87397 1.92737 1.95032 1.98151 1.99479 2.02912 2.05837 2.07428 2.10307 2.11077 2.15941 2.16748 2.17950 2.19279 2.25090 2.27537 2.28608 2.29263 2.30163 2.32048 2.33129 2.37497 2.38543 2.41879 2.43655 2.45408 2.46680 2.49241 2.55109 2.55322 2.57134 2.59467 2.63935 2.67645 2.69792 2.71316 2.71866 2.75130 2.76179 2.79569 2.80034 2.86256 2.86671 2.90161 2.91973 2.97466 3.02581 3.05668 3.08193 3.10744 3.16281 3.18625 3.23371 3.27596 3.31352 3.39002 3.45070 3.84709 4.57239 4.62626 4.66086 4.69349 4.73851 4.76523 4.82964 4.91754 4.98245 5.10119 5.25382 5.31138 13.96069 -0.0667 -1.0733 0.0355 1.0760 |XX|YY|ZZ|XY|XZ|YZ| -70.4689 -70.5994 -71.6695 0.1434 0.5033 -0.2966 |XX|YY|ZZ|XY|XZ|YZ| 0.4437 0.3132 -0.7569 0.1434 0.5033 -0.2966 |XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| 3.8551 22.4753 2.7835 -5.0171 -3.1922 3.4654 -1.9464 -3.3372 5.8799 -3.2374 |XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY| -1150.0305 -806.4658 -380.8588 23.9203 -8.0045 -42.4618 34.7698 5.6040 -6.1030 -354.9715 -264.0025 -229.3730 -5.8130 -15.8412 5.1852 0 |0.63342134|-0.03875642|0.60242831|0.03358318|0.01070017|0.60222040|-0.15864450|-0.04533464|0.04065081|0.63794646|-0.05213474|-0.14573788|0.04744234|-0.11735345|0.64218976|0.04736511|0.04814769|-0.13247576|0.07559105|-0.34791044|0.52238052|0.01275334|-0.01779159|0.01550353|-0.20453665|0.13684094|-0.11223775|0.76717847|0.00552467|-0.01515564|0.02108870|0.13234902|-0.36764428|0.25332780|-0.06827132|0.62280170|-0.00505873|0.02160371|-0.00942749|-0.10937053|0.25304612|-0.27825192|0.04227036|-0.40901337|0.47931168|-0.02151368|0.00095793|0.00064969|-0.23408346|0.02325618|-0.00942349|-0.01105586|0.00751320|-0.00501878|0.68186649|-0.02205035|0.00904107|-0.00268119|0.02024865|-0.10557874|0.01387071|0.02971813|0.00072301|0.00431044|-0.01032673|0.45027217|0.01880686|-0.00382332|0.00649251|-0.00726691|0.01180322|-0.10131930|-0.02416352|0.00527187|0.00438014|0.02336919|-0.02549413|0.50066883|0.00013014|-0.00045271|-0.00063387|-0.01005796|0.03352559|0.01354046|-0.00346136|-0.00110179|0.00111085|-0.08839161|0.01369312|0.00498890|0.51950363|0.00000939|0.00187620|-0.00012232|0.01057176|-0.00513620|0.00020341|-0.00220613|0.00078397|-0.00202128|0.00573426|-0.13170167|-0.01867014|0.08623592|0.58722366|-0.00041938|-0.00046832|-0.00016334|0.00328813|0.00239644|0.00297543|-0.00231092|0.00062406|-0.00152963|0.00673005|-0.02868716|-0.09474904|0.05698891|-0.07558044|0.64909348|0.00017884|0.00025711|-0.00005823|-0.00010454|0.00122647|0.00127306|0.00006021|-0.00030282|0.00010426|-0.02085312|0.01519761|0.01086024|-0.18601541|-0.00856633|0.00344108|0.53166487|-0.00034483|-0.00035456|0.00028307|-0.00095407|-0.00579001|-0.00236512|0.00121953|-0.00003910|-0.00009634|0.02794495|0.00059968|0.00179784|-0.00649069|-0.08972336|0.00309185|-0.10088418|0.57693159|0.00006535|0.00020877|0.00005333|-0.00094379|-0.00210494|-0.00075162|0.00067022|0.00006725|0.00048553|0.01611020|-0.00159086|-0.00260927|0.00769377|0.00364351|-0.09684403|-0.02461935|-0.05916448|0.66346955|-0.00152903|0.00041629|-0.00016869|-0.00216569|-0.00490720|0.00273675|0.00054764|-0.00044270|0.00048651|-0.05749409|0.00169667|-0.00081950|-0.01880494|-0.03203856|-0.01459950|-0.09156483|-0.00877330|-0.00399510|0.73846681|-0.00116690|0.00056667|-0.00044299|-0.00153973|-0.00398208|0.00255334|0.00039471|0.00022322|0.00011594|-0.00896099|-0.00297742|-0.00819552|-0.01977612|-0.00890988|-0.00281203|-0.01724618|-0.15823414|-0.03863681|0.10168006|0.48902932|0.00079123|-0.00022561|0.00050121|0.00135380|0.00223658|-0.00269823|-0.00044503|0.00045294|-0.00006986|0.00750853|-0.00764004|-0.00229657|-0.00937255|0.00403160|0.00161158|-0.00155101|-0.02851327|-0.10258897|-0.06739840|-0.02152909|0.51463319|0.00018058|0.00026765|-0.00003509|0.00114834|-0.00020347|-0.00310923|-0.00121992|0.00044643|0.00002874|-0.02862774|-0.00190300|-0.02426661|-0.00524898|0.00443267|-0.00079885|0.00304814|0.00739887|0.00562060|-0.11220165|-0.00865637|0.03352255|0.99758732|-0.00014121|-0.00007312|0.00016330|0.00043308|0.00036378|0.00075588|-0.00009865|-0.00000425|0.00004444|0.00071056|0.00698448|-0.00375249|-0.00250856|0.00159798|-0.00092675|0.00630830|0.00286356|-0.03372103|-0.00637446|-0.08215316|0.01699037|0.02399885|0.19267434|0.00087933|0.00013494|-0.00074006|0.00177509|0.00089383|-0.00797732|-0.00233027|0.00005317|0.00029524|-0.03687045|-0.00098232|-0.00321610|-0.00039229|-0.00076180|-0.00418407|-0.00256119|-0.01176414|-0.02640350|0.01743955|0.01878776|-0.20813214|0.11539477|-0.05539962|0.64841408|0.00032791|0.00042397|0.00036425|-0.00983516|0.00361992|-0.03483276|-0.00440331|-0.00108430|0.00104904|-0.11631171|-0.00004557|-0.03815117|0.00543292|-0.00813771|-0.00424974|-0.00487131|-0.00576249|0.00061510|-0.02003017|-0.00244628|0.02721496|-0.63470403|-0.03881319|0.04084862|0.95537036|-0.00077384|0.00011456|-0.00049525|0.00310769|-0.00203341|0.00831146|0.00118424|0.00091897|-0.00014289|-0.00126744|-0.07875920|0.01052459|-0.00910141|-0.00099231|-0.03263097|0.00144193|0.00115998|-0.00069807|-0.00539405|0.00633364|0.00045687|-0.04422094|-0.07594834|0.01644248|0.08573015|0.20106610|-0.00086046|-0.00006785|0.00204177|-0.00740344|0.00125828|0.00583736|0.00341116|-0.00122717|0.00020284|-0.02291861|0.01388740|-0.18223795|0.00073822|-0.01084921|-0.02686758|0.00028464|-0.00000685|-0.00431114|0.04036817|0.00671460|-0.01291866|0.02472747|0.01518553|-0.12622292|-0.15429944|-0.07975055|0.66921759|-0.00370456|0.00242583|-0.00223399|-0.01712581|-0.02129784|0.01388657|0.00073380|0.00013451|0.00070102|-0.11671023|-0.03656748|0.02569928|0.00268498|-0.00536411|-0.00192503|-0.00102520|0.00899701|0.00065709|-0.14539985|0.04357333|-0.02853174|-0.00186755|0.00106488|-0.01441271|0.00263588|0.00229934|0.00947536|0.42708980|0.00366955|-0.00078797|0.00087018|0.00269401|0.00933236|-0.00745297|0.00106057|-0.00042388|-0.00065480|-0.02743675|-0.10811452|0.02217594|-0.01317954|-0.04361924|0.01252294|0.02319632|-0.04057036|0.01110263|0.03099975|-0.10244919|0.01609177|0.00193459|-0.00197662|0.00499793|-0.00029989|-0.00184360|0.00641010|-0.01388507|0.62426492|-0.00188506|0.00095731|0.00042775|-0.00038009|-0.00632903|0.00241028|-0.00117768|-0.00102592|-0.00028103|0.02037221|0.02576534|-0.10001595|-0.00557633|-0.01132215|0.00919796|0.00903328|-0.01194974|0.00880492|-0.02209539|0.02005793|-0.09405560|-0.02581996|0.02583972|-0.03329386|0.01532482|0.02757255|-0.03589173|0.02189699|0.01822953|0.68380136|0.00003412|0.00014695|0.00018322|0.00059274|-0.00082069|-0.00040812|-0.00129309|-0.00069836|-0.00105286|0.00515027|-0.02276901|-0.01271412|-0.00410169|-0.00456966|0.00372989|-0.00521525|0.00514982|-0.00375489|0.00407180|0.02969100|0.01294190|0.00006744|0.00001190|0.00086513|-0.00012237|0.00035700|-0.00074054|-0.08270393|0.00066272|0.00043147|0.12559103|0.00066603|-0.00021752|0.00063756|0.00008096|0.00163760|-0.00100575|0.00007566|-0.00078954|-0.00113220|-0.00225099|-0.02596303|-0.00320222|-0.00044338|-0.00274278|0.00209875|0.00055597|-0.00243797|0.00142071|0.00532389|-0.02477843|-0.00279044|-0.00137252|-0.00173922|0.00029599|0.00142253|-0.00159788|-0.00027072|0.00321667|-0.27813436|-0.06595226|0.00157575|1.55147513|0.00015178|-0.00006395|0.00018828|-0.00034267|0.00026658|-0.00002365|-0.00000657|-0.00050842|-0.00036851|-0.00687421|0.00785129|0.00585611|0.00092433|0.00278716|-0.00124327|-0.00072138|0.00187191|-0.00059607|0.00511555|0.00573775|0.00359033|-0.00130867|0.00247719|0.00079223|0.00112760|0.00249966|0.00095636|0.00113218|-0.05865103|-0.10822538|0.00262763|0.38881714|0.23138149|0.00027239|0.00006116|0.00019523|-0.00065287|0.00038986|-0.00036805|0.00034727|-0.00072263|-0.00085615|-0.00102258|0.00079176|0.00098305|0.00055708|0.00052187|-0.00030794|0.00051710|-0.00039128|0.00011273|-0.00077826|-0.00094588|-0.00096065|0.00029959|0.00023753|0.00020606|0.00008314|0.00004289|-0.00023345|0.00983948|0.00096427|0.00029541|-0.04870535|-0.00613846|-0.00148023|0.06953164|-0.00062854|0.00028756|-0.00036946|0.00110103|-0.00099408|0.00080813|-0.00071022|0.00066487|0.00068627|0.00407116|0.00146260|-0.00369219|-0.00079465|-0.00062804|0.00115115|0.00090478|-0.00032529|0.00121879|-0.00462964|0.00065913|-0.00302476|0.00060232|0.00020551|-0.00055298|-0.00080470|0.00012172|-0.00026932|-0.00102131|0.00180720|0.00251388|-0.00594395|-1.21409558|-0.31293154|0.00626118|1.64628999|-0.00012366|0.00006933|-0.00008606|0.00004695|-0.00034897|0.00041324|0.00008717|0.00050881|-0.00021635|0.00195743|0.00008050|-0.00140692|-0.00012017|-0.00055413|0.00042078|0.00022439|-0.00047116|0.00031249|-0.00201435|-0.00008803|-0.00084446|0.00135261|0.00119766|-0.00042550|-0.00154700|0.00098930|-0.00023569|-0.00027378|-0.00456732|0.00884389|-0.00137618|-0.31278846|-0.13028145|0.00144666|0.42791138|0.18423935|-0.06502558|-0.00520932|-0.03503177|0.00562069|0.00524112|0.02394201|-0.00209711|-0.00129888|0.00064869|0.00078549|0.00020059|-0.00018664|0.00008194|-0.00000386|0.00004907|0.00007204|0.00002993|-0.00006952|0.00003511|-0.00001321|0.00001309|-0.00005690|0.00005771|-0.00010388|-0.00108467|-0.00017358|-0.00007509|0.00010641|-0.00026446|-0.00018343|-0.00000900|-0.00009993|-0.00002863|-0.00009640|0.00011013|-0.00002180|0.06432328|-0.00513006|-0.06080807|-0.03840022|0.00484746|0.00306847|0.02632519|-0.00279720|-0.00138953|0.00112753|0.00067356|0.00007186|-0.00065143|0.00023026|-0.00011897|-0.00000886|-0.00003988|0.00009689|-0.00000089|0.00005315|-0.00001440|-0.00007596|-0.00008252|-0.00005430|0.00005821|-0.00020652|0.00004517|-0.00042820|0.00008535|-0.00006845|-0.00001411|-0.00001994|-0.00002084|-0.00002306|-0.00005013|0.00000887|-0.00006137|0.00828383|0.06287752|-0.03557377|-0.04001692|-0.32997122|-0.00309777|0.00024844|-0.01775325|0.00312347|0.00073153|-0.00023495|-0.00071544|0.00057677|-0.00061902|0.00004281|-0.00004310|-0.00000252|-0.00011127|-0.00005909|0.00010748|-0.00009418|0.00018585|-0.00012611|0.00012191|-0.00015427|0.00064382|-0.00044824|-0.00013220|-0.00125578|0.00013550|-0.00000855|0.00017786|0.00001953|0.00003574|0.00001555|0.00010408|-0.00002294|0.00008439|0.04040595|0.04162859|0.36009211|-0.07021845|0.04764494|0.00984275|0.00707858|-0.02379764|-0.00679714|-0.00251321|-0.00086749|0.00161320|0.00075905|0.00029004|-0.00045904|-0.00078096|-0.00001356|0.00045033|-0.00006217|0.00008799|-0.00003186|0.00012911|-0.00001088|-0.00006734|-0.00005103|0.00007784|-0.00000147|-0.00001859|0.00011237|-0.00001056|0.00017933|-0.00003400|0.00021800|0.00008052|-0.00006162|-0.00005568|-0.00007855|0.00016101|0.00002428|0.00088747|-0.00593955|-0.00118767|0.06874813|0.04749909|-0.31969328|-0.05554647|0.00521998|-0.02017366|-0.00218459|-0.00363570|-0.00076788|0.00105108|0.00086330|-0.00034019|0.00018196|0.00035803|-0.00075009|0.00033539|-0.00033402|0.00036588|-0.00021559|0.00017336|-0.00006824|-0.00002226|-0.00009779|0.00012136|-0.00004181|-0.00020674|0.00017961|0.00001714|-0.00012794|0.00007338|0.00013514|0.00009213|0.00000630|-0.00003124|-0.00012553|0.00014809|0.00001863|0.00104686|-0.00396388|-0.00232003|-0.05310940|0.34908609|0.00994028|-0.05464512|-0.06741181|-0.00570659|0.02307936|0.00474206|0.00254549|0.00138823|-0.00125103|-0.00068484|-0.00085355|0.00048289|0.00048682|-0.00028899|0.00032808|0.00003326|-0.00002541|-0.00015468|-0.00009704|-0.00005148|0.00005023|0.00000800|0.00004446|0.00004014|-0.00005000|0.00006144|-0.00001378|-0.00011549|0.00002233|-0.00017073|-0.00006330|-0.00001903|-0.00000373|0.00002290|-0.00003162|0.00001489|0.00777482|-0.03799240|-0.00655398|-0.01402323|0.05943424|0.06959914|-0.32359642|0.05482585|-0.06140063|-0.02208755|0.00666690|-0.00617021|0.00125063|0.00181837|-0.00119925|-0.00027763|-0.00399829|0.00278574|0.00021719|-0.00019401|-0.00024340|0.00004204|-0.00007657|0.00002539|-0.00035753|-0.00029931|0.00019749|-0.00001074|-0.00004723|0.00000726|0.00038198|-0.00001634|0.00025722|-0.00079033|0.00087334|-0.00038888|-0.00003449|0.00017320|0.00006399|0.00002805|-0.00025033|-0.00005659|-0.00253876|0.00036091|-0.00162016|-0.00406743|0.00166218|-0.00072070|0.35002937|0.05872906|-0.07144073|0.01341594|-0.02302722|0.00536409|-0.00644907|-0.00072949|0.00031699|-0.00045171|-0.00153464|-0.00290321|0.00302981|0.00013472|-0.00049469|0.00023197|-0.00014100|0.00012369|-0.00014555|-0.00019226|-0.00025513|0.00016793|-0.00003775|0.00004192|0.00001310|0.00019170|-0.00007012|0.00024847|-0.00091366|0.00066575|-0.00019256|0.00002997|0.00015561|0.00002795|0.00002458|-0.00008405|-0.00002590|-0.00653638|0.00097229|-0.00105834|0.03504289|-0.00508115|0.00983289|-0.06107953|0.07221130|-0.06488134|0.01320536|-0.07302307|0.02124793|-0.00511868|0.00421947|0.00063535|-0.00075842|0.00011459|0.00145540|0.00368172|-0.00201924|-0.00018186|0.00014559|0.00011251|-0.00008475|0.00002720|0.00004004|0.00017969|0.00032979|-0.00022726|0.00005483|-0.00010196|0.00028068|-0.00026615|-0.00001563|-0.00066918|0.00089606|-0.00046305|0.00046886|0.00001360|-0.00013275|-0.00004450|-0.00001371|0.00008760|0.00003438|-0.03597453|0.00884722|-0.00624610|0.00886319|-0.00107385|0.00174704|0.06796428|-0.01880667|0.07447945|0.00030764|-0.00163069|0.00091445|-0.01084191|-0.00018523|0.00085492|-0.36839245|0.04202100|-0.02625976|0.00176504|0.00115500|-0.00110941|-0.00037553|-0.00011170|-0.00024215|0.00001809|0.00011719|0.00003216|0.00013233|-0.00006490|-0.00009504|-0.00020899|0.00002997|-0.00025674|-0.00032746|0.00030996|0.00043857|0.00039190|0.00012033|0.00003896|-0.00005243|0.00003303|-0.00001140|-0.00011251|-0.00010362|-0.00010285|0.00036606|0.00003432|0.00002073|0.00039416|-0.00010377|0.00012817|0.00146457|0.00000267|-0.00000936|0.38999039|0.00163440|-0.00345603|-0.00540472|0.02741532|0.00075573|0.00295016|0.03619574|-0.06320287|0.01643336|-0.00019581|0.00285906|0.01037494|-0.00120815|0.00032082|-0.00022379|-0.00003469|0.00036589|0.00000555|0.00010818|-0.00014937|0.00006505|0.00028682|-0.00006437|0.00090232|0.00224509|-0.00067659|-0.00100248|-0.00017214|-0.00008733|0.00008618|0.00003991|-0.00009737|-0.00005490|-0.00018466|0.00008926|-0.00010166|0.00012893|0.00086699|-0.00069108|-0.00031616|-0.00055567|0.00076946|-0.00066633|-0.00032840|0.00065704|-0.04547173|0.05618146|-0.00127073|-0.00529756|-0.00535298|-0.02320597|0.00391506|0.00331187|-0.02093878|0.01652684|-0.05604385|0.00118242|0.00929589|0.00642333|-0.00246766|-0.00010608|-0.00063315|-0.00002187|0.00071396|0.00023693|-0.00005726|0.00000287|0.00019854|0.00016319|-0.00014137|0.00028192|0.00091733|-0.00041615|-0.00023280|0.00037236|-0.00000541|-0.00029359|-0.00000211|0.00007053|0.00007032|0.00011300|-0.00021522|0.00002781|0.00033573|0.00109139|-0.00068441|-0.00013579|-0.00086293|0.00090495|0.00026842|0.00072889|-0.00006736|0.02816550|-0.02229124|0.04640796|-0.00126895|0.00152513|-0.00142030|0.01345546|0.00935828|-0.00820634|-0.18190989|-0.11552267|0.10064760|0.00055275|-0.00003237|-0.00004485|0.00011759|0.00001238|0.00008227|0.00003292|0.00001810|0.00001555|0.00010687|0.00015848|-0.00017322|-0.00004663|-0.00001925|0.00002662|0.00013360|-0.00007189|0.00008746|-0.00134556|0.00054848|-0.00041788|-0.00181250|-0.00057133|-0.00102966|-0.00054203|0.00028802|-0.00006614|0.00042315|0.00010541|-0.00015971|0.00048280|0.00019280|-0.00007318|0.00059679|0.00010122|-0.00004382|-0.01430554|-0.01991263|0.01710630|0.18597493|0.00303422|0.00474766|0.00875094|-0.01756740|-0.00949207|0.01305514|-0.11065643|-0.17721428|0.11445231|-0.00164474|-0.00301841|-0.00459414|0.00104190|-0.00010126|0.00051614|0.00008387|-0.00032403|-0.00008742|0.00014078|-0.00017035|-0.00038248|-0.00030835|0.00005110|-0.00025890|-0.00045665|0.00042093|0.00021300|0.00023363|0.00048591|0.00076256|-0.00076178|0.00039316|-0.00031474|-0.00023016|-0.00043855|-0.00018522|-0.00130096|-0.00202461|0.00138040|0.00040717|0.00043262|-0.00073101|0.00007126|0.00014780|-0.00030774|0.00377563|0.00710191|-0.00314572|0.12364100|0.17917972|-0.00257235|0.00929144|0.00786902|0.01484344|0.01375753|-0.00622252|0.09485111|0.11181508|-0.13878599|0.00092636|-0.00449331|-0.00486100|0.00088250|-0.00011020|0.00044207|0.00008768|-0.00031601|-0.00000119|-0.00026894|0.00009452|-0.00013546|-0.00010639|-0.00002686|-0.00039976|-0.00079472|0.00029607|0.00024650|-0.00042149|0.00046095|0.00055314|-0.00063301|0.00044950|0.00000741|0.00063389|-0.00052169|0.00003924|-0.00075277|-0.00135455|0.00066578|0.00146000|0.00174722|-0.00204373|0.00004041|-0.00036355|0.00012513|-0.00230907|-0.00208724|0.00525040|-0.10618026|-0.12804893|0.13708750|-0.00001610|0.00001303|-0.00001622|0.00062527|-0.00024506|0.00118297|0.00021433|0.00004603|-0.00011903|0.00424145|0.00096072|0.01193706|-0.10773388|-0.00832886|-0.10912209|-0.01342275|-0.00092121|-0.03181040|-0.00405796|0.00023193|0.00034828|-0.00009730|0.00034865|0.00162194|0.00041871|0.00256384|0.00053055|-0.00001652|-0.00016764|-0.00079375|0.00000207|-0.00002204|0.00020489|-0.00000958|-0.00002262|-0.00001606|0.00005273|-0.00004300|-0.00005984|0.00001654|-0.00009131|0.00002158|-0.00001449|-0.00001608|-0.00000381|0.00001373|-0.00001849|0.00001818|0.00001179|-0.00000766|0.00001068|0.11657432|0.00013769|-0.00009446|-0.00009612|-0.00144077|0.00199175|-0.00058016|0.00006261|0.00002172|0.00081966|-0.01155862|-0.00144792|-0.02888143|-0.00765336|-0.06222127|-0.00795654|0.00018896|0.00005811|-0.00125041|-0.00013866|-0.00127674|-0.00049217|-0.00082140|0.00018293|-0.00083758|0.00141658|-0.00478517|-0.00169622|-0.00003324|0.00167569|-0.00052731|0.00027956|0.00020280|0.00030266|0.00001109|0.00006509|0.00007403|-0.00004873|-0.00008172|0.00006020|0.00005933|-0.00001044|0.00006822|0.00004181|0.00008045|-0.00002872|-0.00002717|-0.00011199|-0.00005945|-0.00003422|-0.00011678|-0.00002609|0.00674919|0.06101526|0.00042131|-0.00006586|-0.00006452|-0.00120448|0.00091201|0.00017715|0.00055266|0.00002364|0.00101549|-0.00583183|0.00043084|-0.01506559|-0.10965356|-0.01082130|-0.29475154|0.00518984|0.00120325|0.00569265|0.00112115|-0.00018722|0.00000044|0.00068097|-0.00042337|-0.00083748|-0.00023534|-0.00415845|-0.00056084|-0.00000818|0.00085440|-0.00031711|0.00009376|-0.00011880|0.00033045|0.00008643|-0.00009792|0.00004807|-0.00011167|0.00009528|0.00017372|0.00000781|0.00004222|-0.00031606|0.00009370|-0.00001367|-0.00001174|0.00004864|-0.00013189|-0.00003647|-0.00001998|-0.00005985|-0.00006399|0.11643467|0.01324934|0.31804836|-0.00050127|0.00000712|0.00016929|0.00057530|-0.00020010|-0.00038827|-0.00012598|0.00007613|0.00007804|0.00407030|0.00896654|-0.00777850|-0.08101475|-0.06528217|0.04243672|-0.00762369|-0.02823474|0.01912484|-0.00461298|-0.00037606|0.00154641|0.00014411|0.00007379|0.00020068|0.00028651|-0.00092933|-0.00108549|-0.00112257|0.00241398|0.00094354|0.00083552|0.00011555|-0.00010915|-0.00004981|0.00019519|0.00005767|-0.00000141|-0.00005713|0.00001339|-0.00121920|0.00056863|0.00045228|0.00003313|-0.00004741|-0.00001269|-0.00003413|-0.00000498|0.00001256|-0.00000349|-0.00004382|0.00004271|0.00561079|0.01351292|-0.00748371|0.08707311|-0.00014381|-0.00104931|-0.00006716|-0.00122045|-0.00053746|-0.00002230|0.00058470|0.00003291|-0.00001279|-0.00954994|-0.02161769|0.01523018|-0.06722015|-0.24470516|0.12356638|0.00254567|0.00233407|-0.00046281|0.00066133|-0.00063903|-0.00048132|-0.00103259|0.00054845|0.00057151|0.00185612|0.00178472|0.00170806|0.00219875|-0.00472104|-0.00331089|-0.00165405|-0.00074418|0.00066256|0.00008728|-0.00075150|-0.00025192|0.00002042|0.00011986|0.00000199|0.00033204|0.00109248|0.00004594|-0.00002690|0.00049207|0.00002169|0.00013375|0.00004569|0.00012770|-0.00002512|0.00002311|-0.00019585|0.00163152|0.00394555|-0.00070354|0.07111307|0.26291865|0.00035750|0.00054218|-0.00000335|-0.00024363|0.00073668|-0.00004243|0.00000818|-0.00005679|0.00028532|-0.00633676|-0.01453164|0.00891076|0.04340121|0.12701562|-0.14428217|-0.00058319|-0.00044899|-0.00145319|-0.00025888|-0.00038669|0.00033710|0.00047736|0.00014085|0.00000168|-0.00063759|-0.00115814|0.00161766|0.00076157|-0.00351143|-0.00189392|-0.00096520|-0.00043017|0.00092812|0.00009084|-0.00026564|-0.00013487|0.00002616|-0.00015514|-0.00009874|0.00040914|-0.00060826|0.00005212|0.00000972|-0.00013703|-0.00005191|0.00000022|0.00001685|-0.00000447|-0.00001552|-0.00009252|-0.00004074|0.00993072|0.02858424|-0.01702324|-0.04743126|-0.13464644|0.15048375|-0.00003347|-0.00012207|-0.00015270|0.00033481|0.00085908|0.00068554|-0.00032206|-0.00002098|-0.00011028|-0.00395634|-0.00082307|0.00045685|-0.00964955|-0.00098968|0.03402364|-0.08261224|0.00194155|0.07901005|0.00274882|0.00034793|-0.01040501|0.00101897|-0.00238270|-0.00032180|-0.00026957|-0.00046245|-0.00149229|-0.00004842|-0.00002002|0.00077649|-0.00002704|0.00005952|-0.00018637|-0.00000515|-0.00001125|0.00001100|-0.00000453|0.00002719|0.00003912|0.00006092|0.00013369|0.00001238|-0.00003188|0.00006257|0.00002761|-0.00003164|-0.00003670|-0.00015082|0.00001550|0.00008698|0.00004110|0.00188990|-0.00007275|-0.00028090|-0.00455045|0.00017019|0.00087963|0.08872292|0.00000066|-0.00005808|-0.00005863|-0.00009421|0.00011479|0.00005082|0.00005545|0.00003209|0.00004373|-0.00029222|-0.00134120|-0.00060080|-0.00198149|-0.00040253|0.00464968|0.00181427|-0.06165268|0.00684744|0.01029542|0.00185795|-0.03322988|-0.00066070|-0.00586038|-0.00144983|0.00066789|0.00025405|-0.00114696|-0.00024244|0.00161360|-0.00041841|-0.00038230|0.00017690|0.00027907|0.00002328|0.00010018|0.00009091|-0.00003704|0.00000037|0.00005299|0.00001896|0.00004223|-0.00000006|0.00000473|0.00001963|0.00002985|0.00000210|-0.00003060|-0.00001658|0.00000277|-0.00001592|-0.00000184|0.00027819|0.00110349|-0.00021067|-0.00119815|0.00013615|-0.00013805|0.00054311|0.06032294|0.00001490|-0.00002182|-0.00002779|-0.00013483|-0.00003494|0.00005972|0.00013549|0.00003314|0.00001205|-0.00057528|-0.00012350|0.00014116|-0.00319641|0.00062040|0.00142183|0.08120592|0.00442127|-0.31932864|0.00391930|0.00211866|-0.01392382|0.00049411|-0.00384544|-0.00045308|-0.00066538|-0.00048470|-0.00048594|-0.00007167|0.00073968|-0.00035611|-0.00008200|-0.00010677|0.00038934|-0.00006056|-0.00008381|0.00005774|-0.00004472|-0.00000334|0.00005183|-0.00003735|-0.00002051|-0.00000025|0.00003840|-0.00001301|0.00002765|0.00002976|-0.00003694|0.00000211|-0.00001213|-0.00001930|-0.00000278|0.00030831|-0.00011446|0.00213763|0.00009249|-0.00047007|0.00055657|-0.08556315|-0.00344225|0.34447315|0.00003647|0.00006861|-0.00011725|0.00034418|0.00132807|0.00064948|-0.00040181|0.00000413|0.00015965|-0.00443299|-0.00061738|-0.00073785|-0.01359195|0.02552437|-0.01714741|-0.12379005|0.10161881|-0.06422474|0.00591373|-0.00671481|0.00605598|0.00069023|0.00054706|0.00075962|-0.00018438|-0.00017212|-0.00021523|-0.00028827|-0.00215361|-0.00082000|0.00075880|-0.00001866|-0.00000990|-0.00003415|-0.00015020|-0.00002486|-0.00000829|0.00001827|0.00005020|0.00003733|-0.00000774|-0.00005630|-0.00003006|-0.00001264|0.00000782|-0.00005951|-0.00007611|-0.00020513|-0.00000914|0.00006466|0.00003969|-0.00449823|0.00032319|0.00073483|0.00242843|-0.00044384|0.00009848|0.00651026|-0.00919251|0.00430410|0.13093128|0.00007263|-0.00004029|0.00004770|0.00013986|0.00031369|-0.00004051|-0.00008976|0.00002665|0.00004456|-0.00140950|-0.00074265|-0.00052711|-0.00521153|0.00622094|-0.00313289|0.10356966|-0.21789609|0.10138890|0.01650924|-0.02081613|0.01507710|-0.00164718|0.00162007|0.00200130|0.00099026|0.00065595|0.00037371|-0.00209400|-0.00568337|-0.00331748|0.00207997|-0.00055563|0.00036028|-0.00004601|-0.00075567|-0.00023374|0.00001678|-0.00000167|-0.00003685|0.00000401|0.00001194|-0.00000068|0.00002545|0.00001180|-0.00003218|0.00002392|0.00000875|-0.00004110|-0.00002108|0.00002707|-0.00005551|-0.00099415|0.00014446|-0.00032845|0.00063291|0.00130056|-0.00030760|-0.00109050|0.00164211|0.00072200|-0.11056543|0.23487832|0.00000342|-0.00002407|0.00000947|-0.00005164|-0.00012788|-0.00019412|0.00005306|-0.00001556|0.00006171|0.00105651|-0.00038188|0.00048969|0.00219013|-0.00380484|0.00053761|-0.06635851|0.10502994|-0.12774347|0.00975522|-0.01252254|0.00768060|0.00094786|-0.00101459|0.00130376|-0.00049161|0.00011720|0.00012683|-0.00033254|-0.00353150|-0.00188364|0.00104914|-0.00024903|0.00076239|-0.00005896|-0.00025883|-0.00010991|0.00001084|0.00000087|-0.00000855|0.00001924|0.00003327|-0.00000416|-0.00000787|0.00001903|-0.00000783|0.00000525|0.00003072|0.00003167|0.00000224|-0.00003785|-0.00005248|-0.00017644|-0.00032531|0.00059844|-0.00014635|-0.00028929|0.00145645|-0.01727982|0.02803673|-0.01607615|0.07015591|-0.11107644|0.13235812|-0.00051218|0.00028744|-0.00022178|-0.00012370|-0.00135052|0.00082142|-0.00009213|0.00001688|0.00001833|-0.00411400|0.00265561|-0.00189076|0.00030353|0.00043565|0.00029151|0.00050885|0.00065482|0.00024535|-0.29935350|-0.10355595|0.05249163|-0.00075918|0.00048905|-0.00050160|-0.00013577|-0.00058775|0.00029303|-0.01668280|-0.01186493|0.00696052|0.00058581|-0.00156864|-0.00025619|0.00052654|0.00104737|0.00028259|0.00002096|-0.00000881|0.00003373|0.00003526|-0.00001795|-0.00000171|-0.00015307|-0.00009771|0.00009733|-0.00007419|0.00002395|-0.00000910|0.00006176|-0.00005201|0.00000999|-0.00005274|-0.00010857|0.00000871|0.00001176|-0.00012671|-0.00012411|0.00022260|-0.00045951|-0.00074969|-0.00006977|-0.00060193|-0.00026379|0.31945842|0.00040824|-0.00027853|0.00013897|0.00051692|0.00139415|-0.00057457|-0.00005297|0.00001624|-0.00001402|0.00428696|-0.00286983|0.00172937|0.00023538|-0.00540250|-0.00276372|-0.02850512|-0.00656341|0.00790509|-0.10617311|-0.10755915|0.02516394|-0.00098547|-0.00119417|-0.00091666|-0.00008451|0.00052289|0.00089984|0.01795864|0.01043846|-0.00752893|-0.00025056|0.00204381|-0.00006484|-0.00035715|-0.00037774|-0.00010333|0.00000885|0.00001992|-0.00002134|0.00002461|0.00009189|-0.00000938|0.00010112|0.00012113|-0.00009057|0.00002780|0.00000119|-0.00002500|-0.00004285|0.00004519|-0.00003465|-0.00109867|-0.00009345|0.00009377|-0.00122136|0.00011128|-0.00000112|0.00081129|0.00180270|-0.00021094|0.00055591|-0.00024938|0.00055566|0.11492446|0.10745976|-0.00019768|0.00006223|-0.00019740|-0.00028665|-0.00045122|0.00084254|0.00007807|-0.00001457|0.00003001|-0.00220696|0.00164632|-0.00196332|-0.00114233|-0.00323838|-0.00047979|-0.01525703|-0.00338111|0.00394872|0.05165215|0.02464629|-0.07486251|0.03328220|0.01310624|0.00156728|0.00183734|0.00125203|-0.00809715|-0.01046102|-0.00760470|0.00319788|0.00059527|-0.00058152|0.00004141|-0.00004816|0.00017638|-0.00001861|-0.00006988|0.00000562|0.00013915|0.00001444|0.00003752|-0.00001372|-0.00004936|-0.00002701|0.00012188|-0.00001271|-0.00005433|-0.00003331|0.00002113|-0.00001986|0.00004474|-0.00066138|-0.00004633|0.00008654|-0.00075490|-0.00015279|-0.00007146|0.00005960|0.00096248|0.00053555|0.00036873|0.00000250|0.00015824|-0.05794400|-0.02429032|0.07374465|0.00004873|0.00011091|-0.00007030|0.00052133|-0.00000619|-0.00188276|-0.00064671|-0.00004747|0.00005301|-0.00606942|-0.00095556|0.00240861|-0.00024590|0.00024441|-0.00002550|-0.00014152|-0.00054112|0.00027304|0.01183542|-0.00119820|0.00778682|-0.20746349|0.01806678|-0.15260664|-0.01109103|0.00334615|-0.02955084|-0.00054509|-0.00027190|0.00315926|0.00006616|0.00004040|0.00001854|0.00004267|-0.00001121|0.00001840|0.00002705|-0.00000262|0.00001472|0.00001186|-0.00001891|0.00000283|-0.00004500|-0.00001140|0.00000318|-0.00006750|0.00023985|0.00005240|0.00001045|-0.00002628|-0.00008902|0.00007433|-0.00017348|-0.00013180|0.00004672|-0.00003634|-0.00001556|0.00000634|0.00025669|0.00004644|-0.00000346|0.00012120|-0.00023082|0.00011469|-0.00000874|-0.00139194|0.21175119|0.00002790|0.00005748|0.00001815|-0.00013380|0.00044231|-0.00144664|-0.00030840|-0.00015226|-0.00002318|-0.00244706|0.01179121|0.00239561|0.00131803|-0.00003852|0.00220796|-0.00056670|-0.00062211|0.00082190|0.00268620|0.00289816|0.00104449|0.01958947|-0.04550869|0.02372944|-0.00302003|0.00835922|-0.00327877|0.00069380|-0.00008532|0.00160643|-0.00008520|0.00030166|-0.00008228|-0.00008044|-0.00018744|-0.00025697|-0.00002982|-0.00000416|0.00001949|-0.00002760|-0.00005490|0.00001473|0.00001014|-0.00000203|0.00000890|-0.00005421|0.00015081|0.00009324|-0.00001771|-0.00004974|-0.00003876|-0.00022347|0.00053459|0.00034529|-0.00000916|-0.00015416|-0.00005748|0.00019188|0.00004527|0.00007297|0.00016499|-0.00026279|-0.00000349|-0.00007982|0.00003031|-0.00045001|-0.01895753|0.03028754|-0.00008355|0.00003155|-0.00001785|-0.00009385|-0.00008366|0.00025733|0.00004371|0.00000161|-0.00000855|0.00151060|0.00259193|0.00038625|0.00064141|-0.00002705|0.00064142|0.00042227|0.00121867|-0.00120321|-0.02111470|0.00233392|-0.00789123|-0.15757394|0.02236301|-0.24599245|0.00521241|0.00012526|0.00950937|0.00129863|-0.00070766|-0.00490007|-0.00006792|-0.00040777|-0.00011627|0.00008509|0.00044025|0.00025348|-0.00001378|-0.00000793|0.00001803|-0.00000189|-0.00001605|-0.00000245|-0.00002209|-0.00001156|0.00001420|-0.00002916|-0.00003597|0.00002840|-0.00000335|-0.00007100|0.00001763|-0.00006067|0.00016333|0.00015427|-0.00010129|-0.00012804|-0.00001644|-0.00003171|-0.00073706|-0.00023478|0.00011886|-0.00065825|0.00010662|0.00092788|0.00028532|0.00103370|0.17113884|-0.02621631|0.24792512|-0.00096585|-0.00000711|-0.00025726|0.00097267|0.00002825|0.00112321|-0.00008213|0.00008977|0.00006400|0.01217100|0.00301238|-0.01005814|-0.00055664|0.00066078|-0.00055499|-0.00008898|-0.00030206|-0.00016084|-0.00672241|-0.00194484|-0.00135127|-0.00698580|-0.00599011|0.03208974|-0.15823086|-0.03344459|0.13679517|-0.00125664|0.00029382|-0.00354357|0.00009574|-0.00004746|-0.00004752|0.00001186|0.00005936|0.00004774|-0.00199612|-0.00040976|-0.00093966|0.00006285|-0.00000177|0.00016008|0.00006028|0.00006511|0.00004895|-0.00002687|-0.00005852|-0.00005408|0.00001334|-0.00004567|0.00002350|0.00011762|-0.00036686|-0.00011734|0.00008670|-0.00016332|0.00020817|0.00005345|0.00013859|0.00008055|0.00005614|0.00006094|-0.00000069|-0.00005283|-0.00010132|0.00204978|0.00099292|0.00093097|-0.00082360|0.16144678|-0.00011694|0.00018508|0.00020317|-0.00047199|0.00011264|-0.00017483|0.00003880|-0.00022088|-0.00004800|-0.00085339|0.00249979|0.00018591|0.00062643|-0.00037885|0.00060586|-0.00116475|-0.00036201|0.00245756|0.00016343|0.01224166|0.00213214|0.00063362|0.00801652|0.00120806|-0.03494721|-0.05374246|0.04986517|-0.00064933|-0.00006140|0.00106797|0.00007727|0.00033892|-0.00008746|0.00001723|-0.00018262|-0.00024703|-0.00019236|0.00040657|-0.00030405|-0.00008779|-0.00018084|-0.00013748|0.00004707|-0.00005659|-0.00008121|0.00001370|0.00002964|0.00003689|0.00000388|0.00001146|0.00002396|-0.00016214|-0.00006325|0.00006415|-0.00011347|-0.00028459|0.00004804|0.00025351|0.00066592|0.00031960|0.00002275|-0.00015533|-0.00005735|-0.00004989|0.00024716|-0.00105493|0.00019772|-0.00722951|-0.00112743|0.03691864|0.03868545|0.00022103|-0.00009222|-0.00092983|0.00145239|0.00011971|0.00018261|-0.00054570|0.00008564|0.00017375|0.01691259|0.00500487|-0.00898280|-0.00076705|0.00098257|-0.00105121|-0.00053444|-0.00010567|0.00076044|-0.00076285|0.00254597|0.00076384|-0.00296236|0.00017961|0.00592236|0.14116589|0.04948539|-0.28805610|-0.00155511|-0.00094014|-0.00403295|0.00010457|-0.00031693|-0.00014380|-0.00007320|0.00043186|0.00023870|-0.00042447|0.00003302|0.00128412|-0.00007587|-0.00004793|-0.00003247|0.00003094|-0.00006936|0.00059509|-0.00012740|0.00005241|-0.00003998|0.00003548|-0.00013942|0.00005177|0.00012401|-0.00069000|-0.00028767|-0.00002188|-0.00062892|0.00008265|0.00005260|0.00015956|0.00014089|0.00010748|-0.00011887|-0.00003375|0.00003593|-0.00017034|0.00001884|0.00088077|-0.00106784|0.00029560|-0.15439196|-0.05545268|0.29353741|-0.00011818|-0.00012293|-0.00021069|0.00095469|0.00020145|0.00011915|-0.00040803|0.00017837|-0.00007220|0.00376863|0.00065486|0.02671782|0.00084164|0.00128289|0.00065629|0.00102443|-0.00135031|-0.00087387|0.00125912|-0.00009304|-0.03082369|-0.00460852|0.00393134|-0.00168220|-0.00344847|-0.00388247|0.00138761|-0.05939593|-0.00018090|-0.01637037|0.00093054|-0.00014048|0.00141593|0.00042757|0.00018403|-0.00002967|0.00009314|0.00006942|-0.00010436|0.00003952|0.00003979|-0.00000009|-0.00006128|0.00000159|-0.00001700|0.00010185|0.00007693|-0.00015775|-0.00085658|0.00058659|0.00029508|0.00005828|-0.00028313|-0.00037566|-0.00030080|0.00021508|-0.00009742|-0.00004147|0.00042129|0.00050330|-0.00026038|-0.00036688|0.00020196|0.00039026|-0.00102584|0.00051338|0.00078944|0.00039787|-0.00136244|0.00083395|-0.00018374|0.00111206|0.05798113|-0.00002939|-0.00003402|-0.00007739|0.00044717|0.00000956|-0.00016473|-0.00007341|0.00041619|-0.00021875|0.00388777|0.00103270|0.01729933|-0.00031698|0.00005894|0.00123413|0.00052427|0.00001587|0.00104378|-0.00201244|0.00053901|0.01442386|0.00240438|-0.00076476|0.00281560|-0.00222818|-0.00155855|0.00316475|-0.00047608|-0.06265652|-0.01101185|-0.00225650|-0.00579389|-0.04062054|0.00014665|-0.00301134|0.00107041|0.00006877|-0.00000282|-0.00005183|0.00000617|-0.00002216|0.00002468|-0.00005151|-0.00000882|-0.00003107|-0.00008276|-0.00002696|0.00003299|0.00033997|-0.00010324|-0.00019938|-0.00046860|-0.00073197|-0.00001411|0.00004446|0.00027741|-0.00017104|0.00055111|-0.00058041|-0.00004086|-0.00011822|0.00025239|-0.00012135|-0.00001152|0.00026366|-0.00052834|-0.00036086|-0.00051708|0.00068872|0.00062317|-0.00049295|0.00077063|-0.00062474|0.07370315|0.00033889|-0.00014706|0.00007634|-0.00057759|0.00039698|-0.00008387|0.00028443|0.00064163|0.00006696|-0.00256498|-0.00101056|-0.01265280|-0.00006233|-0.00099856|-0.00006705|0.00027844|-0.00093583|0.00005212|0.00109988|-0.00095712|-0.00847741|-0.00087806|0.00104580|-0.00124753|0.00099115|0.00197951|-0.00165890|-0.01652186|-0.00448659|-0.33834650|-0.00064013|-0.00523717|-0.00949585|-0.00002090|-0.00021183|0.00056253|-0.00012312|-0.00005625|0.00013112|-0.00004743|-0.00005077|0.00002340|0.00009482|0.00004640|-0.00001412|-0.00012044|-0.00023975|0.00025138|-0.00020381|-0.00058944|0.00023796|0.00017892|0.00032480|0.00090327|0.00013581|-0.00008308|0.00045267|-0.00011615|0.00028683|0.00091805|-0.00004967|-0.00010423|0.00046856|-0.00056557|0.00003208|0.00022093|0.00015321|0.00050530|-0.00022237|-0.00039935|0.00051462|-0.00043058|0.01932072|0.00941938|0.36812223|-0.00004326|-0.00001241|-0.00002764|0.00008929|-0.00003996|0.00005242|-0.00012399|0.00016292|0.00008427|-0.00021602|0.00084713|0.00063342|0.00016046|0.00014000|-0.00022099|0.00022351|-0.00015173|0.00021292|-0.00017385|-0.00106780|-0.00059773|-0.00002630|-0.00001191|-0.00007316|-0.00000213|0.00000264|0.00009081|0.00636769|0.00032700|0.00000144|0.00521458|-0.00060367|-0.00031419|-0.03039714|0.00009666|0.00021624|0.00002324|-0.00000199|-0.00001307|0.00000615|0.00002873|0.00000360|-0.00000738|-0.00000893|-0.00000623|-0.00003509|-0.00003802|-0.00003035|0.00011061|-0.00006580|-0.00006011|-0.00000230|-0.00002197|-0.00002002|-0.00004187|0.00009331|0.00005021|-0.00000069|0.00001718|0.00002012|-0.00004441|-0.00010889|-0.00005175|-0.00006457|0.00004747|0.00001189|-0.00002018|0.00002969|-0.00001574|-0.00001017|-0.00002104|0.00000654|0.00000545|0.00006729|0.00001513|0.01900840|0.00000351|-0.00002511|0.00000173|-0.00003519|0.00000919|0.00001196|-0.00000982|0.00002585|0.00005016|-0.00017103|0.00003806|0.00008436|0.00004114|-0.00001520|-0.00004124|-0.00002952|-0.00002011|-0.00005304|0.00016867|0.00008409|0.00007261|0.00003439|0.00006935|0.00006002|-0.00002022|0.00007010|0.00004828|-0.00003707|0.00092589|-0.00169392|0.00001804|0.00297631|-0.00050720|-0.00030832|-0.43007817|-0.11172574|-0.00000539|-0.00000134|-0.00000136|-0.00000367|0.00001053|0.00000023|0.00002402|0.00000040|0.00000051|0.00003540|0.00001031|-0.00001245|-0.00002480|0.00000158|-0.00006187|0.00000790|0.00001324|0.00002092|-0.00000242|0.00004116|0.00001972|-0.00000744|0.00001144|0.00002494|0.00000243|0.00004427|0.00001839|0.00000699|-0.00002158|-0.00000220|0.00000373|-0.00002986|-0.00000783|0.00000162|-0.00002955|-0.00001091|0.00001296|-0.00026340|-0.00008509|0.00029410|0.42615253|-0.00001347|0.00000500|0.00001245|0.00006086|0.00000057|-0.00001560|-0.00009724|-0.00002171|0.00003384|0.00028045|-0.00052387|-0.00021681|-0.00006390|-0.00010990|0.00006564|0.00002385|-0.00005574|0.00002477|-0.00012915|-0.00041565|-0.00011878|-0.00001800|-0.00002630|-0.00001741|0.00000061|-0.00003081|-0.00004013|-0.00004799|-0.00189324|0.00607428|-0.00015473|0.00091607|0.00523269|0.00010662|-0.11287595|-0.06183116|0.00000935|0.00002077|-0.00003035|0.00000995|0.00000848|-0.00001237|0.00000137|0.00000265|0.00000133|0.00000815|0.00001194|-0.00000521|0.00004549|-0.00004495|-0.00002864|-0.00001306|-0.00003818|-0.00003019|0.00000707|-0.00002879|-0.00004792|0.00001539|-0.00003909|-0.00003592|-0.00000249|-0.00000616|-0.00003612|0.00001035|0.00001570|0.00000521|-0.00001491|0.00003781|-0.00003577|0.00000938|0.00003937|-0.00002694|-0.00006588|0.00126298|0.00020946|0.00003195|0.11378901|0.05086962| 158.10955 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 43.9745 134.6693 147.7880 184.7703 208.0247 229.0090 291.0133 367.0179 384.3012 412.4890 442.6646 511.8882 548.5163 581.9847 605.6634 626.2893 752.1124 793.3575 797.0707 797.4789 814.4204 873.2714 888.2237 896.1422 955.9000 989.5738 999.1308 1027.4392 1057.1384 1065.4638 1071.0698 1073.9591 1108.0739 1121.1687 1155.3417 1178.1595 1185.2231 1224.9197 1244.8837 1292.9303 1338.9175 1353.6421 1376.6446 1420.5980 1433.0412 1448.4212 1469.3863 1506.2013 1518.2020 1567.9563 1597.1742 1631.2543 1639.4243 1645.5516 1663.8112 1818.8425 1878.3336 2411.0988 3203.6130 3220.0088 3228.7306 3238.4901 3251.4075 3264.5231 3284.1691 3287.5603 3293.3468 3340.1665 3386.1147 3414.3529 3422.0403 3664.2000 2.5305 3.6103 3.1154 1.4608 1.9810 3.1002 1.9638 3.3041 2.5409 3.8367 3.8600 3.1027 3.6515 2.8915 3.4590 3.0943 2.6488 1.3170 1.2697 1.3471 1.4560 2.7692 1.9637 3.4157 2.3219 2.7145 2.3179 2.3529 1.3607 2.0688 1.6092 1.9748 2.1603 1.5182 2.0889 1.5413 1.7913 1.6660 1.3829 1.7432 1.3903 1.5371 1.2354 1.8601 1.6244 1.4957 1.8950 1.7767 1.4771 1.3020 1.2200 1.0470 1.0838 1.0603 1.1055 6.1378 4.8559 5.7314 1.0383 1.0647 1.0818 1.0671 1.1009 1.1034 1.1023 1.1037 1.0897 1.0654 1.0880 1.1064 1.1135 1.1694 0.0029 0.0386 0.0401 0.0294 0.0505 0.0958 0.0980 0.2622 0.2211 0.3846 0.4456 0.4790 0.6473 0.5770 0.7476 0.7151 0.8828 0.4884 0.4753 0.5047 0.5690 1.2442 0.9128 1.6162 1.2500 1.5661 1.3633 1.4634 0.8959 1.3837 1.0877 1.3420 1.5628 1.1244 1.6428 1.2605 1.4826 1.4728 1.2627 1.7169 1.4685 1.6594 1.3795 2.2117 1.9655 1.8488 2.4106 2.3749 2.0059 1.8859 1.8336 1.6414 1.7162 1.6915 1.8030 11.9634 10.0940 19.6310 6.2786 6.5039 6.6446 6.5941 6.8572 6.9284 7.0051 7.0285 6.9639 7.0034 7.3502 7.5994 7.6824 9.2507 0.0370 0.1441 0.1764 0.5230 0.2693 0.2356 0.1263 0.2783 2.0478 2.2145 3.1055 1.0567 6.5655 6.1791 0.3102 0.1173 0.2664 45.9267 1.1102 48.8859 43.4272 1.6971 3.0298 1.7965 4.2827 0.1422 7.2629 1.9997 48.3800 0.4128 0.2456 1.0651 3.2095 1.7618 0.1964 3.1956 0.6180 3.4873 3.6430 2.0255 0.9382 4.4698 1.7595 3.7216 0.9301 0.6357 1.7715 10.3242 8.1902 3.3850 1.1413 7.1772 0.1145 8.4014 0.6849 0.3381 14.5663 1.2588 27.6090 41.1121 5.8402 61.8312 42.4576 10.8399 24.2490 64.7644 46.8895 16.8906 9.7900 18.2108 18.7621 57.3180 2.8857 5.7252 4.6593 2.1961 0.8013 4.3008 1.8396 3.8968 3.3494 5.6496 2.3512 2.7689 5.8354 3.5445 6.5474 9.7393 1.6508 2.1412 6.3344 3.6272 5.3805 2.1038 5.2370 5.0388 9.1722 1.2953 2.2299 6.2632 1.8644 4.2023 2.9148 5.4691 5.1358 6.4648 6.9472 11.6525 3.4427 6.5369 10.5473 2.1940 12.0818 2.9513 7.4715 3.2828 3.6529 0.8054 3.1963 1.4060 4.3208 5.6698 33.3092 18.0227 15.1745 5.4611 6.4507 18.4820 32.6985 141.2116 94.8920 54.0846 11.5065 184.4342 49.3597 52.6066 84.7029 89.7796 123.3762 120.1949 92.2276 128.2442 53.4903 33.3347 0.7392 0.7347 0.7331 0.7378 0.7470 0.7499 0.7451 0.4658 0.6379 0.6709 0.7498 0.7275 0.6471 0.6850 0.4169 0.0507 0.4734 0.7076 0.5989 0.6226 0.2289 0.7165 0.1371 0.2649 0.0102 0.6533 0.7435 0.3346 0.5705 0.0719 0.7313 0.6613 0.7272 0.6992 0.7253 0.7267 0.7494 0.7266 0.2764 0.7381 0.6799 0.6975 0.7262 0.5112 0.2620 0.4252 0.7497 0.6270 0.2997 0.7234 0.5141 0.7478 0.7072 0.6405 0.6818 0.2270 0.1878 0.2930 0.0047 0.6608 0.7196 0.1037 0.7108 0.7410 0.5749 0.6973 0.2929 0.1840 0.6099 0.1449 0.7490 0.2464 0.8500 0.8471 0.8460 0.8491 0.8552 0.8571 0.8539 0.6356 0.7789 0.8030 0.8570 0.8422 0.7857 0.8131 0.5885 0.0965 0.6426 0.8288 0.7492 0.7674 0.3725 0.8348 0.2411 0.4188 0.0203 0.7903 0.8529 0.5015 0.7265 0.1342 0.8448 0.7961 0.8421 0.8230 0.8408 0.8417 0.8568 0.8417 0.4331 0.8493 0.8094 0.8218 0.8414 0.6765 0.4152 0.5967 0.8569 0.7707 0.4612 0.8395 0.6791 0.8557 0.8285 0.7808 0.8108 0.3700 0.3163 0.4532 0.0093 0.7958 0.8369 0.1879 0.8309 0.8512 0.7301 0.8217 0.4531 0.3108 0.7577 0.2532 0.8565 0.3953 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1471.78039 1757.10984 2469.58889 0.99954 0.02799 0.01197 -0.02800 0.99961 0.00103 -0.01194 -0.00137 0.99993 1 0.05885 0.04929 0.03507 1.22623 1.02711 0.73079 63.27 193.76 212.63 265.84 299.30 329.49 418.70 528.06 552.92 593.48 636.90 736.49 789.19 837.35 871.41 901.09 1082.12 1141.46 1146.81 1147.39 1171.77 1256.44 1277.96 1289.35 1375.33 1423.78 1437.53 1478.26 1520.99 1532.96 1541.03 1545.19 1594.27 1613.11 1662.28 1695.11 1705.27 1762.39 1791.11 1860.24 1926.40 1947.59 1980.68 2043.92 2061.83 2083.96 2114.12 2167.09 2184.35 2255.94 2297.98 2347.01 2358.77 2367.58 2393.85 2616.91 2702.50 3469.03 4609.28 4632.87 4645.42 4659.46 4678.05 4696.92 4725.19 4730.07 4738.39 4805.75 4871.86 4912.49 4923.55 5271.97 0.239890 0.250152 0.251096 0.204170 -462.204911 -462.194650 -462.193706 -462.240632 1.573906D-04 MUNgauss RevisionA2.1 retrievium 05-Apr-2022 GDB_13 Smiles: CC(=C)C12CCC(C=C1)C2C#C RHF 6-31G(d) (6D,10F) C1 158.109551 |X|Y|Z| 29.242778 26.060714 17.010039 23.491103 7 6 7 |36.858105| |12.594047|36.858105| |7.726012|14.417073|36.858105| |7.417566|12.595514|7.645257|36.858105| |5.887559|7.404010|5.420663|12.133006|36.858105| |4.084666|4.974721|4.108517|7.753859|12.271603|36.858105| |3.976245|5.098448|4.309572|8.410867|7.866742|12.288511|36.858105| |4.335380|5.168814|4.115811|8.235235|6.707059|7.743360|12.547555|36.858105| |6.101465|7.322590|5.154460|12.447270|7.739798|6.676778|8.294872|14.434760|36.858105| |4.757162|7.172192|6.302003|12.239433|8.023391|8.019519|12.322961|8.083003|8.072884|36.858105| |4.126043|5.865129|5.837552|7.370453|5.042840|5.074369|7.516099|6.446454|6.389663|12.961274|36.858105| |3.532882|4.658563|4.894148|5.202345|3.850185|3.883560|5.317530|4.984546|4.925673|7.171749|16.046603|36.858105| |17.540241|8.817754|6.020338|6.576786|5.084612|3.802884|3.855949|4.519799|6.574826|4.408536|4.003665|3.511972|0.500000| |17.537400|8.809610|5.938204|6.781414|6.529877|4.320885|3.913332|4.209820|5.685034|4.404974|3.657897|3.114375|0.302824|0.500000| |17.587648|8.853701|7.386950|5.457421|4.594891|3.390369|3.312081|3.510764|4.587496|3.966955|3.606303|3.204586|0.302104|0.301571|0.500000| |7.112842|9.109530|17.703225|5.479409|4.323128|3.378978|3.470823|3.389896|4.149355|4.648907|4.501324|4.048730|0.155681|0.152414|0.226976|0.500000| |5.496345|9.046844|17.747054|6.924986|5.067917|4.150578|4.528087|4.071111|4.761411|7.106314|7.024308|5.831935|0.129092|0.127783|0.144891|0.290127|0.500000| |5.537815|7.010696|5.683408|8.695501|17.560178|8.681479|6.022693|4.961783|5.572428|6.836558|4.566977|3.577389|0.126000|0.171660|0.127703|0.127752|0.149319|0.500000| |6.153797|6.435192|4.658515|8.618062|17.598016|8.632131|5.986024|5.968829|7.154622|5.714724|4.090697|3.288636|0.151053|0.213407|0.131118|0.109148|0.116355|0.302345|0.500000| |3.548394|4.315830|3.811069|5.975290|8.693766|17.553491|8.718033|5.569956|4.948929|6.844622|4.607364|3.620916|0.090365|0.103847|0.084922|0.088496|0.110416|0.226238|0.180029|0.500000| |3.668432|4.141160|3.431831|5.905772|8.616155|17.586748|8.667683|7.133231|5.924862|5.706739|4.113146|3.318364|0.097717|0.110391|0.085350|0.081127|0.094484|0.179867|0.221611|0.302417|0.500000| |3.258869|4.035697|3.621907|5.776549|5.593973|8.528216|17.617010|8.581950|5.859887|8.495529|6.694358|5.156757|0.088559|0.088988|0.077993|0.083525|0.108465|0.131225|0.126693|0.211056|0.195747|0.500000| |3.630688|4.068551|3.373143|5.661609|5.038808|5.946691|8.262405|17.735393|8.871169|5.675132|5.080883|4.297120|0.107746|0.099000|0.084135|0.080002|0.092818|0.109925|0.133166|0.127976|0.170384|0.200375|0.500000| |6.497738|6.561382|4.685590|8.225350|5.930328|5.019806|5.693143|8.889475|17.750179|5.666804|5.025373|4.222813|0.224531|0.165262|0.134853|0.110426|0.115873|0.127823|0.170276|0.109655|0.132317|0.124219|0.202476|0.500000| |4.311337|6.352734|6.231522|8.676699|7.477679|7.479738|8.704119|5.723496|5.717977|17.544932|9.138525|6.035940|0.106905|0.113576|0.103950|0.129671|0.211065|0.208745|0.146199|0.209346|0.146186|0.198342|0.122666|0.122481|0.500000| |3.079626|3.845683|4.108157|4.086392|3.178591|3.206018|4.166255|4.047206|4.001774|5.130743|8.490043|18.027845|0.086165|0.075704|0.079564|0.099580|0.132315|0.083170|0.077649|0.084192|0.078400|0.115544|0.101950|0.100104|0.127001|0.500000| 462.203504 -2452.566834 907.290765 -67.346934 -1150.419500 687.974698 -462.444801 2.000522 4037FFFFFFFFFFF6 41914DE2EFFFFFFD 4129C151C47711D8 40B21C0000000000 4024000000000000 410B093FFFFFFFFF