Version2.5 2022-04-06T04:41:34Z 10.1021/ja902302h Gaussian16 RevisionB.01 RPOIRIER 12-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#CC1=CC2CC(=C)C=C2C1 RHF 6-31G(d) (6D,7F) CC#CC1=CC2CC(=C)C=C2C1 C1[X(C12H12)] 66 C1 204 CC#CC1=CC2CC(=C)C=C2C1 CC#CC1=CC2C(=CC(=C)C2)C1 CC#CC1=CC2CC(=C)C=C2C1 InChIKey=CTKWWFYVMSQSOR-UHFFFAOYSA-N InChI=1S/C12H12/c1-3-4-10-7-11-5-9(2)6-12(11)8-10/h5,8,12H,2,6-7H2,1H3 InChI=1/C12H12/c1-3-4-10-7-11-5-9(2)6-12(11)8-10/h5,8,12H,2,6-7H2,1H3 CC#CC1=CC2CC(=C)C=C2C1 C01[X(C12H12)] 66 C1 204 CC#CC1=CC2CC(=C)C=C2C1 CCC[C@@H]1C[C@@H]2[C@H](C1)C[C@@H](C2)C CCC[C@H]1C[C@@H]2C[C@H](C)C[C@@H]2C1 InChIKey=XAXUSPUUZMBZFR-QDMLRJGXSA-N InChI=1S/C12H22/c1-3-4-10-7-11-5-9(2)6-12(11)8-10/h9-12H,3-8H2,1-2H3/t9-,10-,11-,12+ InChI=1/C12H22/c1-3-4-10-7-11-5-9(2)6-12(11)8-10/h9-12H,3-8H2,1-2H3/t9-,10-,11-,12+ 4.610052762860D+02 -2.281552204037D+03 603.8007557102 -461.2988496 1-A 2974.6110 42 162 204 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -11.25218 -11.24559 -11.23665 -11.23382 -11.23376 -11.23315 -11.23181 -11.22543 -11.22372 -11.21970 -11.21662 -11.20308 -1.17972 -1.10429 -1.05271 -1.00510 -0.99819 -0.95373 -0.92057 -0.87197 -0.76532 -0.73692 -0.72414 -0.67469 -0.64206 -0.62983 -0.60627 -0.59172 -0.59030 -0.58784 -0.58022 -0.54161 -0.53968 -0.52007 -0.49265 -0.47139 -0.46091 -0.42839 -0.41060 -0.37167 -0.31756 -0.30052 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.13837 0.14661 0.21890 0.23575 0.25384 0.26209 0.27297 0.28266 0.29147 0.30117 0.30404 0.31860 0.32495 0.33214 0.34491 0.36439 0.37654 0.38890 0.39406 0.40337 0.41865 0.44996 0.48833 0.49035 0.51921 0.53808 0.59384 0.59943 0.61843 0.65622 0.70721 0.72453 0.74416 0.74701 0.76009 0.77220 0.79077 0.81026 0.82114 0.83355 0.84456 0.85308 0.86455 0.87424 0.88584 0.90061 0.91638 0.93961 0.95755 0.96464 0.97693 0.99528 0.99895 1.02551 1.04766 1.08619 1.09613 1.09746 1.10694 1.12259 1.12936 1.13102 1.14708 1.15578 1.16165 1.16983 1.17874 1.18192 1.19514 1.21370 1.21913 1.22262 1.22735 1.24667 1.25164 1.33756 1.36467 1.40009 1.40780 1.42902 1.47998 1.49691 1.52205 1.56092 1.58190 1.62663 1.71128 1.74269 1.75522 1.77178 1.79884 1.81682 1.83247 1.88324 1.89711 1.91259 1.96191 1.97635 1.99225 2.04750 2.05308 2.10241 2.11316 2.13922 2.15778 2.17520 2.20929 2.23467 2.26615 2.27118 2.28289 2.28921 2.31849 2.34204 2.36288 2.37268 2.38464 2.43122 2.46024 2.49237 2.49963 2.51965 2.55273 2.56097 2.57537 2.61393 2.64899 2.66424 2.71137 2.72360 2.75387 2.78900 2.82041 2.84836 2.87264 2.89948 2.92761 2.95453 3.00932 3.01896 3.09907 3.12266 3.20349 3.28614 3.28861 3.34194 3.44948 3.49028 3.57681 3.95642 4.51829 4.54443 4.57589 4.59495 4.63570 4.67444 4.73611 4.86340 5.02177 5.06010 5.09866 5.34739
11.94271
-1.3677 -0.0930 0.1046 1.3749 |XX|YY|ZZ|XY|XZ|YZ| -64.0734 -67.0520 -73.5154 -1.1505 1.0062 -0.4961
|XX|YY|ZZ|XY|XZ|YZ| 4.1402 1.1616 -5.3018 -1.1505 1.0062 -0.4961
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| -79.5029 0.9742 2.4380 5.4921 -0.4899 -13.1440 -6.1791 -0.9840 -1.5934 -2.5269
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY| -3145.6578 -378.0305 -170.2870 -5.1991 26.0921 3.1448 -6.1385 14.4994 2.8098 -635.8705 -647.7806 -94.8514 -6.5401 -4.6590 -3.2924
0 |0.58368338|-0.00002163|0.62290390|-0.00691138|0.00002543|0.61963993|-0.30597124|-0.00331914|-0.04063357|1.59505134|-0.00319853|-0.08024848|-0.00033681|0.02747265|0.11665315|-0.04073567|-0.00042477|-0.08571701|0.26394170|0.00439238|0.16242291|-0.00176800|-0.00025592|-0.00175947|-1.21569035|-0.02234703|-0.20699189|1.60987799|-0.00068948|0.00640442|-0.00038487|-0.02142978|-0.05226594|-0.00346890|0.02184257|0.12617174|-0.00149370|-0.00023452|0.00670993|-0.20695466|-0.00373770|-0.09113316|0.26984329|0.00420921|0.14728355|0.00215627|-0.00041089|-0.00078460|-0.01830922|-0.00090738|-0.00466447|-0.33271392|0.00357603|-0.04697221|0.80845272|0.00081831|0.00830430|0.00010888|-0.00792523|0.00757373|-0.00144016|0.01176661|-0.09394627|0.00295594|0.16819388|0.74200244|-0.00097592|-0.00003116|0.00712082|-0.00484671|-0.00030571|0.00697984|-0.04724472|0.00136751|-0.07971069|0.11643824|0.03890968|0.21265672|-0.00019568|0.00133232|0.00004693|0.00405655|0.00020315|0.00059778|-0.03663681|-0.03264189|-0.00927877|-0.27670099|-0.22813484|-0.03887291|0.65767096|-0.00103174|-0.00044577|-0.00018500|0.00952605|-0.00048432|0.00168645|-0.01109355|0.01017056|-0.00208519|-0.20962780|-0.44219501|-0.04577402|0.07851299|0.96283084|-0.00019966|0.00001558|0.00000256|0.00089443|0.00018765|0.00084251|-0.00805066|-0.00628105|0.00529371|-0.04199977|-0.05298709|-0.08068792|0.10176419|0.03517028|0.20235960|-0.00014541|-0.00012784|0.00024315|-0.00080024|0.00031049|0.00001585|0.00065096|-0.00188356|-0.00248215|-0.03816175|-0.00718253|-0.01387052|-0.21421474|0.02130833|-0.03222726|0.61026229|0.00020705|0.00030394|0.00016245|-0.00106036|0.00029962|-0.00008177|-0.00173268|-0.00493553|-0.00162733|-0.02371644|0.00877998|-0.00555694|0.04383365|-0.11363632|0.01323404|0.00832150|0.52655787|0.00028895|0.00014190|-0.00121616|-0.00013007|-0.00001364|-0.00057430|-0.00176531|-0.00035521|0.01434180|-0.00986467|-0.00091778|0.00517181|-0.03383483|0.00831567|-0.09463763|0.00840628|0.03902639|0.61526828|-0.00004716|-0.00000984|0.00015105|0.00009330|0.00005417|-0.00000895|-0.00065883|-0.00059326|-0.00151669|-0.00135098|0.00244395|0.00083632|-0.01749214|-0.01455294|0.01129325|-0.15161063|-0.03625062|0.04139886|0.52566562|-0.00019224|-0.00014503|-0.00016879|0.00051306|0.00008071|0.00004326|-0.00054100|0.00077142|0.00110223|0.00359730|-0.00168251|0.00182098|0.00725324|0.00993949|-0.01250768|-0.02464471|-0.10629702|0.02239045|0.06704933|0.63715260|0.00007801|0.00003547|0.00009806|-0.00033174|-0.00001730|-0.00000762|-0.00031407|-0.00046004|-0.00107249|-0.00280893|-0.00024684|-0.00088836|-0.00250090|-0.00808190|0.00745550|0.04173077|0.02686619|-0.12316969|0.07510322|0.00921507|0.61881654|-0.00006412|0.00003522|0.00004114|-0.00004144|0.00001208|0.00002158|0.00009981|-0.00027690|-0.00081165|-0.00127387|0.00025488|-0.00013870|-0.00218293|-0.00232899|0.00473608|-0.03756389|0.01718577|0.00424382|-0.12779726|0.04449987|0.00968794|1.00104360|-0.00001627|0.00013527|0.00004151|-0.00010472|-0.00006931|-0.00001649|0.00033766|-0.00092870|-0.00015505|-0.00118038|0.00220364|-0.00040505|-0.00201748|-0.00472838|0.00225673|0.00374268|0.00878500|-0.00279487|0.05733192|-0.17781432|-0.01705672|0.00547634|0.54649622|-0.00003063|0.00005320|-0.00002523|0.00017196|0.00002740|0.00001735|0.00020299|-0.00055183|0.00022414|0.00261563|0.00073217|0.00032759|0.00018866|0.00231845|-0.00156847|0.01712771|-0.01290410|-0.01124993|0.01163625|-0.01393478|-0.09350452|-0.16312133|0.03303541|0.23970299|0.00011767|0.00000073|0.00002668|-0.00011149|-0.00000326|-0.00002014|-0.00008019|0.00016696|-0.00008620|-0.00000198|-0.00038720|-0.00008832|0.00015531|0.00015314|0.00052115|-0.00003734|0.00176966|0.00025332|-0.01473666|0.00307263|0.00218156|-0.61766711|0.01832312|0.10981157|0.95047962|0.00001783|-0.00008266|-0.00002004|0.00003037|0.00004256|-0.00000924|-0.00019258|0.00054689|0.00019503|0.00034500|-0.00115840|0.00029181|0.00068081|0.00206493|-0.00169279|0.00285307|-0.00643717|-0.00048176|0.03013117|0.00537625|-0.00483561|0.01337211|-0.13966785|-0.01060922|0.00458230|0.72190960|-0.00001982|-0.00000779|-0.00001451|0.00002512|0.00000169|0.00002345|0.00003688|0.00004130|0.00000735|-0.00001589|-0.00007285|0.00006116|0.00006367|0.00010082|-0.00021733|0.00079592|-0.00024337|0.00112400|0.00477088|-0.00026212|0.00628722|0.10948781|-0.01212497|-0.08840570|-0.16068728|0.04912942|0.16191839|0.00012016|-0.00011985|0.00003410|-0.00002029|0.00004922|-0.00013658|-0.00066146|0.00112180|0.00014624|-0.00111188|-0.00322539|-0.00033967|0.00061482|-0.00059895|-0.00026458|-0.00017866|0.01338123|0.00676114|0.00645804|0.00869111|-0.00076911|-0.14812811|-0.07648420|0.00984185|-0.03138951|-0.03295418|0.00595222|0.76936421|0.00005459|-0.00022693|0.00000194|-0.00007826|0.00010385|0.00000655|-0.00052449|0.00193357|-0.00059716|-0.00376882|-0.00421563|0.00046779|-0.00130193|-0.00551244|-0.00130761|0.02825933|-0.01993677|-0.01769416|-0.01163371|-0.03828481|-0.00822193|-0.06372590|-0.21165602|-0.00565480|-0.00443419|0.01136427|0.00184862|-0.10986670|0.75228058|0.00002416|-0.00000932|0.00000747|-0.00015052|-0.00004906|-0.00000155|0.00018086|0.00016374|-0.00007026|-0.00078344|0.00065607|0.00078786|-0.00157922|-0.00221156|0.00017365|0.01222604|-0.01469576|-0.00125140|0.00141187|-0.00664483|0.00490798|0.00783421|-0.00464639|-0.08024787|0.00966754|0.00826679|0.00754533|-0.25331996|0.21188169|0.30578719|-0.00005495|-0.00009471|-0.00004747|-0.00022559|-0.00037295|0.00002783|-0.00095137|0.00349487|-0.00033508|-0.04710780|0.01002790|-0.00052650|-0.01074910|0.03685189|0.00623549|-0.09071944|-0.00520105|0.00641168|-0.00841417|-0.02806588|-0.00291343|-0.05660519|-0.01683169|0.01991042|0.00541715|-0.00343334|-0.00132201|-0.49281149|0.11635445|0.18983628|0.94467243|0.00001026|0.00065800|0.00001405|0.00022908|0.00007792|0.00008901|0.00172578|-0.00676776|0.00082600|0.02778858|0.00860569|-0.00183250|0.02086208|-0.02872940|-0.00217423|-0.00135559|-0.20823746|-0.02639392|-0.01920043|-0.02393613|-0.00130396|-0.01890247|0.01293822|0.01002658|-0.00524539|-0.00807386|0.00007474|0.12988869|-0.17285858|-0.07759404|-0.06145018|0.55541829|0.00007757|-0.00006712|0.00002209|-0.00018134|0.00002845|-0.00000744|-0.00047347|0.00082327|0.00142243|-0.00590682|0.00001076|0.00089824|0.00033008|0.00934535|0.00461475|0.00277701|-0.04086795|-0.09948676|-0.00097911|0.01609307|0.00337043|0.01402702|0.00563503|0.00616548|-0.00305658|-0.00093675|0.00198857|0.18948844|-0.07612429|-0.15933196|-0.22915141|0.12597666|0.33316501|0.00001159|-0.00148572|-0.00004900|0.00091368|0.00041570|0.00009335|-0.02048958|0.02720628|-0.00435712|-0.11879241|0.05226410|-0.00762276|0.01315901|-0.00916371|0.00088838|-0.00614565|-0.00967022|-0.00084832|-0.00013856|0.00103044|-0.00084867|0.00002391|0.00204528|0.00145223|-0.00029722|-0.00014016|0.00017221|-0.01413987|-0.01296450|-0.00003190|-0.22504205|-0.06564679|0.01246198|0.51662456|0.00064977|-0.00053357|0.00010669|-0.00458468|-0.00108757|-0.00098386|0.00390142|0.00882512|0.00014709|0.03571754|-0.17834369|0.00450762|0.00904524|-0.04222156|0.00303923|-0.02433263|-0.01723336|0.00499374|-0.00039770|-0.00478992|-0.00179062|0.00136459|-0.00107198|-0.00693817|-0.00008935|0.00123787|0.00036109|0.00733804|0.01481098|-0.00198275|-0.04201942|-0.11751950|-0.00307581|0.08150599|0.62269599|-0.00004488|-0.00017895|-0.00001433|0.00024333|-0.00006005|0.00065409|-0.00422398|0.00455669|0.00198721|-0.00804414|0.00828436|-0.08871319|0.00036550|-0.00214354|0.00913262|-0.01106432|-0.00726533|0.00070931|0.00236515|-0.00260043|0.00072268|0.00620763|-0.00421308|0.00950431|0.00084974|0.00123307|-0.00057288|0.01442847|0.00695386|0.00547434|0.00055559|-0.01061151|-0.09357913|-0.00448819|0.03624176|0.63472771|-0.08603408|-0.08757809|-0.00598073|-0.01840853|-0.03865167|-0.00334125|-0.00130794|0.00160978|-0.00046754|0.00035262|0.00180107|0.00010505|-0.00007052|0.00008295|0.00000998|0.00009142|-0.00007395|-0.00000493|-0.00001231|0.00006874|-0.00003969|0.00002494|0.00002039|0.00003787|-0.00004875|-0.00001888|0.00000898|-0.00008662|-0.00008019|-0.00000484|-0.00006903|0.00024687|-0.00005350|-0.00049248|-0.00058502|-0.00007324|0.09554034|-0.08704039|-0.31732208|-0.01788720|-0.00235258|0.00627358|-0.00035223|0.00119937|0.00001502|0.00021050|-0.00004073|-0.00022270|-0.00001319|-0.00002948|0.00003293|0.00002361|0.00003494|-0.00002040|-0.00000877|0.00000044|0.00002591|-0.00000814|0.00000706|-0.00000787|0.00000050|-0.00001418|0.00000310|0.00000285|-0.00000786|0.00000774|-0.00000257|-0.00000076|-0.00002508|-0.00000771|0.00006921|-0.00007899|0.00001244|0.09704490|0.34107724|-0.00595856|-0.01800314|-0.05801914|-0.00313663|-0.00686046|-0.00202625|-0.00036394|0.00028336|0.00108035|0.00005973|0.00032267|-0.00014713|-0.00000419|0.00001706|-0.00001354|-0.00001822|-0.00002316|0.00012624|-0.00001994|0.00002991|-0.00001056|0.00000341|-0.00000481|0.00000959|-0.00000843|0.00000041|-0.00000093|-0.00001305|-0.00000222|-0.00000528|-0.00001962|0.00003458|-0.00004697|-0.00007083|-0.00008415|0.00000209|0.00835172|0.01991338|0.05517057|-0.06758023|0.02704140|-0.04921369|-0.01353382|0.01968860|-0.03645723|-0.00129942|-0.00059091|0.00114783|-0.00015206|-0.00137280|0.00144927|-0.00039208|0.00046601|0.00022254|0.00014696|-0.00016720|-0.00042322|0.00003593|0.00010427|-0.00005053|0.00002047|-0.00000536|0.00000883|-0.00005312|0.00000158|0.00001751|-0.00005090|0.00000383|0.00001119|0.00004652|-0.00010262|-0.00000370|0.00003297|-0.00020254|-0.00006576|0.00295843|-0.00440771|0.01179895|0.07520814|0.02647024|-0.12153905|0.11787903|0.00175914|0.00114584|-0.00384879|-0.00114649|0.00073633|0.00041267|0.00028168|-0.00009857|0.00008272|-0.00005268|-0.00007051|0.00000748|0.00002435|-0.00001063|0.00000545|0.00000265|0.00001516|0.00000449|-0.00000961|-0.00001807|-0.00000726|0.00000590|0.00001263|-0.00000277|0.00002131|0.00003284|-0.00000370|-0.00001301|-0.00006942|0.00000195|0.00008847|0.00005655|0.00002748|0.00767964|-0.01514003|0.03168068|-0.02980151|0.12498324|-0.04841949|0.11798976|-0.27120128|-0.00520203|-0.00013298|-0.00207593|0.00099877|0.00045835|0.00059321|-0.00022055|-0.00030253|0.00000708|-0.00000824|0.00021890|0.00010731|0.00001872|-0.00006033|-0.00003016|0.00000042|0.00005283|-0.00002068|0.00000761|-0.00000342|0.00000405|-0.00002169|0.00000148|0.00000711|-0.00001766|0.00000493|0.00000126|0.00002096|-0.00005254|-0.00001533|0.00003964|-0.00005490|-0.00004338|0.00217513|-0.00156343|0.00457229|0.05605632|-0.13021981|0.29077166|-0.12451461|0.06470386|0.10514202|-0.02590245|0.01780767|0.02790336|-0.00022157|-0.00030300|-0.00146213|0.00019623|-0.00133409|-0.00140905|-0.00033211|0.00052379|-0.00006006|0.00000629|-0.00024364|0.00025186|-0.00003264|0.00018289|-0.00007501|0.00000116|-0.00003897|0.00001700|-0.00005841|0.00001852|0.00001093|-0.00004516|0.00001372|-0.00000721|0.00000610|-0.00008908|-0.00007099|0.00003953|-0.00021692|0.00013349|0.00766892|-0.00442241|-0.01060998|0.00488903|-0.00526290|-0.00535840|0.13843380|0.06414180|-0.11803132|-0.09941513|0.00032935|0.00106141|0.00419042|-0.00095412|0.00076310|-0.00075941|0.00031230|-0.00009832|0.00000036|-0.00006433|-0.00006678|0.00005342|0.00004178|-0.00000839|-0.00006253|0.00000891|0.00000682|0.00000321|-0.00001046|-0.00001226|-0.00000862|0.00000497|0.00000963|0.00000289|0.00001804|0.00002252|0.00000335|-0.00000190|-0.00006586|0.00002910|0.00007904|0.00004086|-0.00003088|0.01829673|-0.01465795|-0.02729900|-0.01076486|0.00998702|0.01365618|-0.07138099|0.12105000|0.10436706|-0.09930005|-0.21780177|-0.00366937|0.00681534|0.01031899|-0.00127745|-0.00060105|-0.00032904|0.00027580|-0.00018275|-0.00041607|-0.00012682|-0.00003671|-0.00003009|-0.00002708|-0.00002498|0.00012322|-0.00002349|0.00001738|-0.00001067|-0.00000813|-0.00000995|0.00000371|0.00000142|0.00000391|0.00000273|-0.00000009|0.00000332|0.00000281|-0.00000646|0.00000719|-0.00001685|-0.00000886|-0.00000713|-0.00002188|-0.00070959|-0.00031467|-0.00063898|0.01546115|-0.01599650|-0.02266231|-0.11428350|0.10962224|0.23151267|-0.00001342|0.00002373|-0.00010005|-0.00018700|0.00012103|-0.00007838|0.00117480|0.00042122|0.00170836|0.01331109|-0.02227046|0.00030129|-0.10494954|0.10367821|-0.00888150|0.00194132|0.02690795|0.00188357|0.00140500|-0.00028773|-0.00043467|0.00007959|0.00050036|-0.00010062|-0.00016420|-0.00023359|0.00003794|0.00033676|0.00187429|0.00059419|-0.00640362|0.00055714|-0.00274057|-0.00258220|-0.00273214|-0.00298740|0.00003367|0.00000346|0.00001344|-0.00002896|-0.00001767|-0.00000830|-0.00000267|-0.00002105|0.00001344|0.09591231|-0.00001807|-0.00001715|-0.00003634|-0.00077882|0.00019151|-0.00013305|0.00081981|0.00125458|0.00042609|0.01418721|-0.01788570|0.00174291|0.09520933|-0.34844517|0.00738624|-0.00192329|0.00136657|-0.00057947|0.00056652|-0.00009796|0.00017455|0.00009393|-0.00005862|-0.00010080|0.00009190|0.00006685|-0.00001665|0.00003853|0.00007079|0.00011028|-0.00071846|0.00012673|0.00008754|-0.00260782|-0.00175212|-0.00129064|0.00003389|0.00000922|0.00001079|-0.00001921|-0.00000967|-0.00000839|-0.00000930|-0.00001224|0.00000863|-0.10678413|0.36671588|-0.00004535|0.00004114|0.00040600|-0.00014671|0.00000549|0.00024635|0.00160895|0.00026668|-0.00688088|0.00109778|-0.00396692|0.00770500|-0.00925718|0.00699392|-0.04855478|0.00073989|0.00643336|0.00427281|-0.00036041|0.00020114|0.00022759|-0.00014536|-0.00013656|-0.00004945|-0.00004995|0.00012730|-0.00000497|0.00012645|0.00058966|0.00031219|-0.00161002|-0.00013474|0.00071486|-0.00271760|-0.00076639|0.01267209|0.00000496|-0.00000358|-0.00003110|0.00002880|-0.00001891|-0.00002893|-0.00009128|-0.00000581|-0.00003280|0.00980723|-0.00807385|0.03036594|0.00026007|0.00019884|-0.00024656|-0.00024162|-0.00007316|-0.00007361|-0.00111034|-0.00053805|0.00278876|-0.00232585|0.00277592|-0.00116041|-0.00957359|-0.00697493|-0.03505255|-0.06211757|-0.00300119|-0.04196660|0.00430262|0.00069564|0.02846623|0.00129417|-0.00041636|0.00022070|-0.00078551|0.00045818|-0.00048849|0.00010994|0.00086148|0.00129630|-0.00016958|-0.00004015|0.00188664|-0.00030853|0.00064117|-0.00133278|-0.00007335|-0.00003073|0.00001554|-0.00023669|-0.00002276|-0.00005275|-0.00011406|-0.00003465|0.00002504|-0.00006753|0.00061208|0.00079227|0.07311075|-0.00009764|-0.00006652|0.00008734|0.00013022|0.00002534|0.00003886|0.00005127|0.00029382|-0.00075094|0.00071729|-0.00059047|-0.00054389|0.00108140|0.00460766|0.01439572|-0.00279817|-0.06044131|-0.02657612|0.00071797|0.00136454|0.01866292|-0.00144978|-0.00110884|-0.00123375|0.00015120|0.00082193|0.00020584|-0.00139489|-0.00345585|-0.00036259|-0.00164514|-0.00085703|-0.03846641|-0.00030772|0.00019898|0.00086400|0.00002741|0.00001010|-0.00001654|0.00008890|0.00000037|0.00001769|0.00003100|0.00001489|-0.00001414|-0.00023414|-0.00031364|-0.00064026|0.00613137|0.06060365|0.00002867|0.00002008|-0.00003083|0.00012731|-0.00001055|0.00006631|-0.00080175|-0.00027040|0.00005799|0.00022331|0.00199798|0.00083896|-0.00545949|-0.00068800|-0.00551820|-0.03631509|-0.02417367|-0.31507854|-0.00255021|-0.00110025|-0.01730540|0.00061475|0.00065297|-0.00093116|0.00038299|-0.00035821|0.00006064|-0.00118537|-0.00120730|0.00069485|0.00085164|-0.00399578|-0.00529557|-0.00023570|-0.00119644|-0.00073700|-0.00002335|-0.00000505|-0.00000126|-0.00002470|-0.00000407|0.00000079|-0.00002724|-0.00000040|0.00000256|-0.00093168|0.00021006|-0.00040977|0.04230145|0.02956115|0.34265245|0.00005983|0.00001919|0.00003217|-0.00011590|-0.00001068|-0.00001447|-0.00007592|-0.00005455|-0.00028674|-0.00049076|-0.00000703|-0.00007912|0.00001224|-0.00177368|0.00139093|-0.01009372|-0.01798679|-0.01741114|-0.13148555|-0.10138728|-0.07125614|0.01328409|0.01472524|0.01250539|0.00075413|0.00020820|-0.00055713|-0.00199832|0.00308071|0.00043050|-0.00381993|-0.00074522|0.00282439|-0.00002949|-0.00108438|0.00000150|-0.00002173|-0.00000575|-0.00000490|-0.00002895|-0.00000149|-0.00001379|-0.00004441|-0.00000080|0.00000061|-0.00029355|0.00015648|-0.00012215|0.00171036|0.00107998|-0.00015058|0.13684148|0.00002796|-0.00000852|0.00001426|-0.00005109|0.00000349|-0.00001371|-0.00003669|0.00004550|-0.00006122|-0.00024192|-0.00017767|-0.00006797|-0.00008763|-0.00045800|0.00057657|-0.00203220|-0.00514114|-0.00533747|-0.09963970|-0.20266728|-0.10330684|-0.01684649|-0.01788917|-0.01346551|-0.00065275|0.00099374|0.00123731|0.00218341|-0.00427572|-0.00131055|-0.00122158|-0.00113340|0.00025640|0.00013757|-0.00032985|0.00005996|-0.00001245|-0.00000194|-0.00000379|-0.00001210|0.00000176|-0.00000632|-0.00001814|0.00000288|0.00000006|-0.00012486|0.00007076|-0.00005438|0.00014695|0.00070269|0.00060544|0.11095168|0.21755698|0.00000522|0.00000513|-0.00000637|0.00003276|-0.00000212|0.00000811|0.00004917|0.00004496|0.00006334|0.00024618|0.00026046|0.00013238|-0.00010188|0.00051779|-0.00029476|0.00871862|0.01551158|0.01078306|-0.07290711|-0.10662027|-0.13657182|-0.00353334|-0.00052386|-0.00182143|0.00023890|-0.00038808|0.00055850|0.00053486|-0.00030205|0.00066046|0.00391548|0.00129808|-0.00134566|0.00005582|0.00091027|0.00035695|0.00000013|-0.00000047|0.00000002|-0.00000183|-0.00000316|-0.00000217|-0.00000391|-0.00000224|0.00000265|0.00006060|-0.00010843|-0.00001837|-0.00052594|-0.00040213|0.00169970|0.07861261|0.11386724|0.14136813|-0.00002201|-0.00002436|-0.00001527|0.00001560|0.00001196|-0.00000831|0.00004545|0.00007039|0.00014579|0.00015573|-0.00037673|-0.00012078|0.00202707|0.00133128|-0.00043640|0.00883963|-0.01301979|0.02922982|-0.07874377|0.02753741|-0.07625985|-0.00876690|0.00994981|-0.01942029|0.00072888|0.00213354|0.00130795|-0.00092032|0.00029693|0.00050008|-0.00100852|0.00130741|0.00126099|0.00018030|-0.00024881|-0.00072692|0.00000898|0.00000418|0.00000174|0.00001479|0.00000326|0.00000571|0.00002434|0.00000325|0.00000123|-0.00021110|0.00026191|0.00008305|-0.00370535|-0.00324806|0.00314558|-0.00451917|0.00751504|-0.01622733|0.08618355|-0.00001383|-0.00001337|-0.00000519|-0.00000796|0.00001366|-0.00001595|0.00001555|-0.00000802|0.00009483|-0.00008939|-0.00027316|-0.00022088|0.00052469|0.00138587|-0.00034614|0.00359825|-0.00328009|0.00893561|0.02704585|-0.09926673|0.09336929|0.01053930|-0.01162321|0.02692963|-0.00045284|-0.00094271|-0.00089177|0.00122672|-0.00024210|-0.00165754|-0.00056459|0.00059387|0.00035919|0.00006861|-0.00015656|-0.00024272|0.00000324|0.00000219|0.00000177|0.00000194|0.00000355|0.00000289|0.00001239|0.00000123|-0.00000194|-0.00029044|-0.00000571|0.00004748|-0.00096669|-0.00039022|0.00083327|-0.00708520|0.01296958|-0.02438618|-0.03349258|0.10109077|-0.00001014|0.00000886|0.00001544|0.00004329|-0.00000360|0.00002584|0.00001549|-0.00000298|-0.00027273|0.00046011|0.00014529|0.00043614|-0.00126009|-0.00082689|0.00157204|-0.00463191|0.00587816|-0.01722331|-0.07264168|0.09161334|-0.27667992|0.00163761|-0.00274241|0.00966829|0.00069510|-0.00037819|0.00075179|-0.00023175|0.00004820|0.00012683|0.00095523|-0.00086658|-0.00039064|-0.00029688|0.00007134|0.00026443|0.00000201|-0.00000262|-0.00000150|0.00001334|-0.00000196|0.00000456|-0.00000540|0.00000039|-0.00000210|0.00074888|-0.00015612|-0.00017672|0.00323183|0.00216242|-0.00079712|-0.00520804|0.00632151|-0.01552048|0.07675369|-0.10160430|0.29896738|0.00002237|-0.00001243|0.00000377|-0.00002220|0.00000338|-0.00000673|-0.00003787|0.00011603|0.00000896|-0.00006268|-0.00019341|0.00004848|-0.00000163|0.00020841|-0.00006644|0.00013617|-0.00031617|0.00012191|0.00131486|-0.00051804|-0.00223395|-0.01444973|-0.03412991|0.00110409|-0.15910808|-0.13723158|0.01165814|-0.00307399|0.00301443|0.00384858|-0.00114964|-0.00170245|-0.00024966|-0.00006379|0.00050849|0.00004984|-0.00001135|-0.00000131|-0.00000183|-0.00000944|0.00000239|-0.00000418|-0.00000883|0.00000196|0.00000060|-0.00004371|0.00002490|-0.00000078|0.00004339|0.00014475|0.00000540|-0.00013935|0.00059084|0.00042219|-0.00055616|0.00044732|0.00001822|0.16472158|0.00002033|-0.00000025|0.00000368|-0.00001860|-0.00000137|-0.00000231|-0.00001598|0.00002706|-0.00001088|0.00002035|-0.00004747|-0.00000320|0.00002516|0.00004635|0.00005258|-0.00005645|0.00006102|0.00003709|0.00061028|0.00058385|0.00051858|0.00257243|0.00580492|-0.00069195|-0.14302521|-0.28598186|0.00725809|0.00060636|0.00125967|-0.00124058|0.00021959|0.00009738|-0.00005799|0.00009968|0.00000256|0.00012427|-0.00000681|-0.00000207|-0.00000132|-0.00000881|0.00000066|-0.00000421|-0.00000990|0.00000083|0.00000110|-0.00002014|0.00001384|-0.00000421|-0.00002253|0.00002329|0.00003844|-0.00033934|0.00067248|0.00010947|-0.00010563|0.00012878|0.00011374|0.15559438|0.29584104|-0.00000505|-0.00000431|0.00000378|-0.00000471|-0.00000732|-0.00000668|-0.00000677|0.00006268|0.00002924|-0.00028254|0.00000343|-0.00000072|-0.00018450|-0.00001763|0.00001314|-0.00012278|-0.00124240|0.00059234|-0.00058450|0.00173501|-0.00758357|0.00424709|0.00602303|0.00564045|0.01139231|0.00628851|-0.04162582|0.00399621|-0.00221595|0.01273338|-0.00071566|-0.00001035|0.00057572|-0.00012846|0.00089643|-0.00159933|-0.00000148|0.00000070|-0.00000075|0.00000146|0.00000048|0.00000030|0.00000159|-0.00000008|-0.00000161|0.00003933|-0.00000869|0.00000036|0.00013725|0.00018700|-0.00011111|0.00013431|-0.00113979|-0.00023553|-0.00123530|0.00120730|0.00004465|-0.01388452|-0.00775384|0.02849296|0.00002440|0.00001830|0.00001054|-0.00003993|-0.00001041|-0.00000678|0.00001085|-0.00007439|-0.00005967|-0.00011913|0.00015006|-0.00006270|-0.00007897|-0.00046861|0.00044225|-0.00061547|0.00183770|-0.00022827|-0.00349098|-0.00351597|0.00322339|-0.01221042|0.03533363|0.00621571|-0.13376950|0.11984787|0.02878534|0.00149192|0.00097775|-0.00175128|0.00005891|0.00009073|-0.00004328|-0.00003687|-0.00015032|0.00007285|-0.00000925|-0.00000444|-0.00000152|-0.00001455|-0.00000063|-0.00000546|-0.00001738|-0.00000143|-0.00000120|0.00001164|0.00000780|-0.00002987|-0.00015899|-0.00017414|0.00014279|0.00011192|0.00038747|0.00023256|0.00008078|-0.00008469|-0.00026036|0.01266388|-0.01637163|-0.00332504|0.13655622|-0.00002368|-0.00000755|-0.00000605|0.00002459|0.00000532|0.00000549|0.00001640|0.00000688|0.00001846|0.00004337|-0.00002278|-0.00000678|-0.00002009|0.00018464|-0.00009334|-0.00009411|-0.00037993|0.00035461|-0.00062928|0.00155426|-0.00132877|-0.00146217|0.00368768|0.00011460|0.12540695|-0.30256541|-0.04710645|-0.00079464|0.00085692|0.00104827|0.00026582|0.00016278|-0.00007000|0.00000229|-0.00000400|-0.00002518|0.00000956|0.00000407|0.00000141|0.00001149|-0.00000093|0.00000433|0.00001253|-0.00000025|0.00000036|0.00000498|-0.00000718|0.00001210|0.00002961|0.00001819|-0.00005158|-0.00014537|0.00014253|0.00017088|-0.00016013|0.00014822|0.00010590|0.01371689|-0.01868666|-0.00451966|-0.13683971|0.31442937|-0.00000663|-0.00000148|-0.00000271|0.00000235|0.00000482|0.00000046|-0.00000724|-0.00003296|-0.00003199|0.00011419|-0.00004684|-0.00006034|0.00030844|-0.00006021|-0.00009580|0.00005067|0.00177478|0.00022609|0.00129641|-0.00131228|0.01263779|0.00331575|-0.00708580|0.00395029|0.02925576|-0.04594397|-0.04920448|-0.00225551|0.00146245|-0.00851657|0.00067804|0.00030479|-0.00036251|-0.00002025|-0.00053546|0.00073180|0.00000398|0.00000121|0.00000332|-0.00000010|0.00000161|0.00000041|0.00000670|-0.00000150|0.00000030|-0.00003250|-0.00000109|0.00002394|-0.00019157|-0.00018611|0.00013138|-0.00041829|0.00110630|0.00006466|0.00192150|-0.00208867|-0.00050005|-0.00073662|0.00143809|0.00328920|-0.03325746|0.05148657|0.03741837|0.00002046|0.00001355|0.00000209|-0.00004488|-0.00000874|-0.00001027|-0.00000648|-0.00002959|0.00003361|0.00003730|-0.00010106|-0.00016153|0.00055304|0.00047782|0.00005695|-0.00320647|-0.00057722|0.00628689|-0.00286214|-0.00363072|0.00090759|0.01166847|-0.01796564|-0.00901806|0.00107347|0.00051678|-0.00002071|-0.08379212|0.05561029|0.03095147|0.00367257|0.02945995|0.01090768|0.00142483|0.00028963|-0.00203111|-0.00001070|-0.00000341|-0.00000029|-0.00001454|0.00000046|-0.00000397|-0.00001007|-0.00000208|-0.00000170|-0.00024748|0.00003441|-0.00019761|-0.00026821|0.00159571|0.00031685|0.00070612|-0.00068260|-0.00011547|0.00027365|-0.00034347|-0.00014350|-0.00005601|0.00030453|0.00018490|-0.00045723|0.00058303|0.00010314|0.07188864|-0.00001868|-0.00001125|-0.00000668|0.00004373|0.00001309|0.00001849|0.00001144|-0.00001732|0.00001229|0.00026844|0.00003995|0.00010631|-0.00020495|0.00056693|-0.00011216|-0.00128604|0.00085880|-0.00291120|-0.00254300|-0.00191405|-0.00134471|0.01013694|-0.01278903|-0.00758550|0.00052058|0.00036667|0.00048710|0.05935160|-0.32278604|-0.11038937|-0.00177589|-0.00068279|-0.00112138|0.00026646|-0.00038531|0.00155223|0.00001154|0.00000418|-0.00000005|0.00001436|-0.00000184|0.00000360|0.00001098|0.00000142|0.00000228|-0.00008153|0.00005138|-0.00000029|0.00027226|-0.00094394|-0.00024905|0.00068476|-0.00100760|-0.00011477|0.00006709|-0.00015609|0.00017183|-0.00025287|0.00016259|0.00052370|-0.00089313|0.00043433|-0.00027973|-0.06502935|0.33788080|-0.00002792|-0.00003050|-0.00000024|0.00003670|0.00002696|0.00000206|-0.00000544|0.00014514|-0.00000044|-0.00023244|-0.00037040|0.00015463|0.00015661|-0.00258457|-0.00056740|0.00610465|-0.00170838|0.01054272|0.00133438|0.00078710|0.00222398|0.00153964|0.00412857|0.00260398|-0.00121725|0.00011549|-0.00034105|0.02823908|-0.11101213|-0.09123068|0.00161610|-0.01558421|-0.00012169|-0.00049707|0.00237768|-0.00468396|0.00000700|0.00000598|0.00000309|0.00001550|0.00000477|0.00000543|0.00002043|0.00000144|-0.00000115|0.00072607|0.00003796|0.00001230|-0.00051431|0.00237404|0.00023291|-0.00042963|0.00069999|0.00016522|0.00014269|-0.00034406|-0.00026410|-0.00011500|0.00007262|-0.00025035|-0.00010362|-0.00010303|0.00028567|-0.03766697|0.12118561|0.08146730|-0.00003720|0.00006319|-0.00005067|-0.00021164|-0.00033700|-0.00023415|0.00106659|-0.00023153|0.00035961|0.00639657|0.01211582|0.01814674|-0.00256892|0.00309396|-0.00127232|-0.00590884|-0.00038755|0.00203687|0.00025512|-0.00104876|-0.00016855|0.00059511|0.00006353|0.00100017|-0.00012554|-0.00014428|-0.00005107|0.00168867|0.00007097|0.00059263|-0.00290996|-0.02535899|-0.02791318|-0.07258698|-0.03481477|-0.04296197|-0.00000829|0.00000111|0.00001770|0.00000166|-0.00000281|0.00000988|0.00004305|-0.00001110|0.00001157|0.00097243|0.00053013|-0.00131907|0.00028735|-0.00032730|-0.00016653|-0.00020703|-0.00011721|0.00025958|-0.00027252|-0.00012158|0.00010356|-0.00001203|-0.00000668|-0.00009308|-0.00001457|0.00001345|0.00000422|-0.00069078|0.00065700|-0.00026775|0.07160288|-0.00002391|-0.00004621|0.00003851|0.00084162|0.00037826|0.00035185|-0.00150166|0.00070509|0.00020721|-0.00805930|-0.01838547|-0.02177868|0.00285059|-0.00288188|0.00044884|-0.00092798|-0.00062504|-0.00137573|0.00002008|-0.00002081|-0.00039750|-0.00015937|-0.00042664|0.00051647|0.00004206|0.00009563|-0.00000167|0.00092638|0.00067776|0.00055722|-0.00204321|-0.00667010|-0.00475103|-0.03419430|-0.17507427|-0.13722715|0.00003217|0.00000732|-0.00001998|0.00003577|-0.00000817|-0.00000294|-0.00000156|0.00000958|-0.00000604|-0.00103066|-0.00090750|0.00168552|-0.00048735|-0.00038383|-0.00029352|-0.00012319|-0.00003396|0.00012303|0.00002611|-0.00003083|0.00004824|-0.00000958|0.00000011|-0.00006290|-0.00002921|0.00001852|0.00003141|-0.00051546|0.00025857|-0.00030278|0.04062541|0.19030867|-0.00001151|-0.00001919|-0.00001170|0.00027569|0.00016329|-0.00000768|0.00016243|-0.00047815|0.00022895|0.00202821|0.00393257|0.00670244|-0.00002811|0.00079624|0.00012530|0.00077631|0.00126549|0.00087624|0.00008659|0.00008615|0.00002794|-0.00018011|0.00006414|0.00015440|-0.00002670|-0.00007756|-0.00000852|-0.00027048|0.00016777|0.00066835|0.00147078|0.00354165|0.00333880|-0.04374106|-0.13911816|-0.21836084|0.00005040|0.00000350|0.00000798|0.00000483|0.00000839|0.00000352|0.00000505|0.00001088|0.00000028|0.00022213|0.00023659|-0.00054207|0.00019784|0.00035477|0.00003511|-0.00000161|0.00000785|-0.00002368|-0.00003445|0.00001391|0.00000261|-0.00001815|-0.00000384|0.00000663|-0.00000305|0.00000667|0.00000802|-0.00035434|0.00000652|-0.00010693|0.04592713|0.15026415|0.23147962|-0.00002809|0.00001008|0.00005883|-0.00025265|-0.00022930|0.00018742|0.00078360|-0.00028903|0.00038184|0.00761677|0.00989826|-0.01980511|-0.00210925|0.00140008|0.00005559|-0.00055523|-0.00003964|-0.00109761|-0.00065669|-0.00046361|-0.00037346|-0.00138436|0.00134101|-0.00237811|-0.00029164|-0.00084874|0.00003090|-0.00177582|-0.00209408|-0.00177753|-0.00566226|-0.01232719|0.03478181|-0.07126469|-0.02950319|0.05277162|-0.00001439|-0.00000293|-0.00003030|0.00003987|-0.00000793|0.00000334|-0.00000409|0.00000965|-0.00001418|0.00001637|0.00019027|0.00180395|0.00013813|-0.00027148|-0.00026902|-0.00011638|-0.00016350|0.00003215|0.00014708|0.00002939|0.00001139|-0.00009575|-0.00006537|0.00043995|0.00002272|0.00002821|-0.00013498|0.00034856|-0.00023174|0.00113855|0.00264488|0.00370654|-0.00653784|0.07245334|-0.00003205|0.00003589|-0.00003167|0.00081138|0.00021395|-0.00003152|-0.00134570|0.00019846|-0.00079815|-0.00700592|-0.01816590|0.02724227|0.00314066|-0.00195466|0.00065411|0.00015038|-0.00039225|0.00130174|-0.00053275|0.00004556|-0.00044890|-0.00037839|-0.00018067|-0.00006813|0.00001227|-0.00000261|-0.00002134|0.00060423|0.00002942|0.00011320|-0.00176078|-0.00305250|0.00689968|-0.02909817|-0.10728667|0.10597936|0.00003818|0.00000652|0.00002259|-0.00000251|-0.00000906|0.00000088|0.00001353|-0.00001881|0.00001409|0.00003616|-0.00042543|-0.00259786|-0.00021495|-0.00013381|-0.00031512|-0.00015550|-0.00003815|0.00003487|0.00015653|0.00005108|-0.00010357|-0.00000642|-0.00000674|0.00005462|-0.00003259|0.00002100|-0.00003594|0.00000319|0.00005654|0.00007675|0.00567499|0.01303521|-0.02123363|0.02992424|0.11797364|0.00002665|-0.00002425|0.00003522|-0.00040657|-0.00011616|-0.00005064|0.00018733|0.00046454|0.00017846|-0.00097870|0.00221390|0.00064374|-0.00132474|-0.00078569|0.00049321|0.00102772|0.00032303|-0.00024004|-0.00009258|-0.00003648|0.00004959|0.00028553|0.00008203|-0.00017285|-0.00001551|0.00007821|0.00005995|-0.00074524|0.00090284|0.00077163|0.00416213|-0.00163897|0.00372412|0.05079909|0.10288089|-0.26861370|-0.00005708|-0.00000506|-0.00003214|0.00000324|-0.00001027|0.00000119|-0.00002828|0.00001173|-0.00000458|0.00013920|0.00008189|-0.00022957|0.00024574|0.00028111|-0.00025768|0.00002131|0.00001464|-0.00002294|-0.00001491|0.00001020|-0.00005132|0.00002768|0.00000657|-0.00000669|0.00001415|-0.00001878|0.00000273|-0.00002563|0.00004493|-0.00013128|0.00602868|0.01194750|-0.02460474|-0.05927921|-0.11670834|0.28845833| 156.09390 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 13.2865 54.1077 85.8397 121.7258 199.7894 222.4984 278.0009 347.4567 352.6224 422.6207 449.1013 494.7268 532.5526 609.5700 615.2792 647.6564 690.6623 756.2924 787.9349 878.5057 899.6193 913.8940 974.4392 989.2037 1012.4291 1019.5189 1036.2045 1062.3400 1084.3482 1130.4724 1157.2151 1162.4839 1164.6641 1237.1914 1273.0682 1296.3965 1318.7978 1356.6750 1388.8653 1392.6144 1413.9169 1450.9223 1474.6669 1489.0732 1563.5905 1587.8352 1624.2968 1624.7185 1625.5833 1628.1373 1831.0183 1865.6577 1893.7185 2548.3438 3152.1476 3195.0266 3211.0973 3211.3058 3260.0190 3271.5579 3277.4467 3279.7638 3327.4106 3385.1175 3390.3598 3402.1635 1.0232 3.9309 3.5260 3.3844 2.6740 3.6509 3.2051 3.2260 4.1686 4.1328 2.3940 2.9650 2.2385 5.3207 3.7089 4.2932 3.8794 2.1281 1.3414 2.9929 4.3133 3.7986 1.5391 1.4198 2.2985 1.5209 1.6777 2.0977 2.1660 2.4167 1.8679 1.3954 1.3999 1.7708 1.2386 1.4098 2.1945 1.4384 1.4055 1.5215 2.7995 2.5357 1.9309 1.7034 1.2423 1.2081 1.0421 1.0425 1.0995 1.1036 7.6195 6.5024 6.9509 11.9236 1.0834 1.0694 1.0600 1.0412 1.0955 1.1001 1.1032 1.1032 1.0620 1.0967 1.0956 1.1170 0.0001 0.0068 0.0153 0.0295 0.0629 0.1065 0.1459 0.2295 0.3054 0.4349 0.2845 0.4276 0.3740 1.1648 0.8273 1.0610 1.0903 0.7172 0.4907 1.3609 2.0567 1.8692 0.8610 0.8186 1.3881 0.9314 1.0613 1.3949 1.5006 1.8196 1.4738 1.1110 1.1188 1.5969 1.1827 1.3960 2.2488 1.5599 1.5974 1.7385 3.2975 3.1451 2.4740 2.2253 1.7895 1.7945 1.6199 1.6214 1.7119 1.7236 15.0509 13.3348 14.6866 45.6219 6.3426 6.4316 6.4395 6.3265 6.8596 6.9370 6.9816 6.9919 6.9274 7.4046 7.4201 7.6177 0.0006 0.1555 0.7926 1.4704 0.8556 2.7209 2.5262 3.9972 2.2746 0.5705 1.2414 3.3582 4.8581 2.7803 2.3849 1.4226 3.9971 2.6567 3.7272 2.1409 2.1541 3.5316 3.9179 24.0907 16.4415 32.7017 0.3162 8.8950 1.4605 6.3359 2.4059 0.3870 0.9904 1.8092 1.0069 4.3232 4.4632 14.4549 11.1101 7.5333 1.4149 4.9840 1.8890 22.2736 17.1446 0.0326 5.3322 5.4870 0.3858 2.5171 1.8088 5.7159 57.6174 2.2686 40.5078 37.9199 27.1840 41.4521 21.9782 42.0401 18.4971 17.8594 15.3180 9.3218 13.1257 20.3043 0.1609 3.5545 2.1830 6.4721 0.1915 3.4491 1.9780 7.5584 7.7604 11.0039 1.7810 3.1571 7.3174 20.7574 12.7200 11.5254 4.6054 13.6586 6.9412 0.5471 11.0298 9.8017 3.2599 18.7030 3.7079 6.0969 20.4021 7.3066 6.9520 5.3683 8.2383 0.9435 0.2233 9.2878 34.3248 6.8366 32.8549 12.9802 11.3897 4.5028 28.2595 10.2837 14.5252 8.2341 46.0535 75.9870 23.6195 26.3335 19.4905 7.9680 315.3202 31.4860 413.6097 864.2029 141.0727 166.6464 30.7885 346.5697 78.2707 86.4731 129.8827 119.1075 111.9576 86.2104 91.3527 106.5831 0.7500 0.7485 0.7267 0.7277 0.7223 0.6056 0.7486 0.7004 0.4506 0.4874 0.6719 0.7156 0.7477 0.7088 0.7469 0.2445 0.6877 0.7297 0.6859 0.4642 0.1159 0.5616 0.5891 0.7282 0.3148 0.5744 0.3730 0.2491 0.6730 0.5154 0.3831 0.7402 0.6583 0.5134 0.4591 0.1132 0.3020 0.3177 0.6942 0.4056 0.4442 0.6794 0.7310 0.4921 0.4641 0.3883 0.7487 0.7478 0.6395 0.7486 0.2585 0.4235 0.3151 0.3272 0.2303 0.2115 0.7205 0.0295 0.5224 0.4903 0.7491 0.7488 0.1109 0.2724 0.3613 0.7500 0.8571 0.8561 0.8417 0.8424 0.8388 0.7544 0.8562 0.8238 0.6213 0.6553 0.8037 0.8342 0.8556 0.8296 0.8551 0.3929 0.8149 0.8437 0.8137 0.6340 0.2077 0.7193 0.7414 0.8428 0.4789 0.7297 0.5433 0.3988 0.8045 0.6802 0.5539 0.8507 0.7940 0.6784 0.6293 0.2034 0.4639 0.4822 0.8195 0.5771 0.6152 0.8091 0.8446 0.6596 0.6340 0.5594 0.8563 0.8557 0.7801 0.8562 0.4108 0.5950 0.4792 0.4930 0.3744 0.3491 0.8375 0.0573 0.6863 0.6580 0.8565 0.8564 0.1996 0.4281 0.5308 0.8571
298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 6 6 6 6 6 6 6 6 6 6 6 6 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
495.21246 4550.44243 4833.30308 0.99999 -0.00358 0.00078 0.00358 0.99999 -0.00106 -0.00077 0.00106 1.00000 1 0.17490 0.01903 0.01792 3.64438 0.39661 0.37340 19.12 77.85 123.50 175.14 287.45 320.13 399.98 499.91 507.34 608.06 646.16 711.80 766.22 877.04 885.25 931.83 993.71 1088.14 1133.66 1263.97 1294.35 1314.89 1402.00 1423.24 1456.66 1466.86 1490.87 1528.47 1560.14 1626.50 1664.97 1672.55 1675.69 1780.04 1831.66 1865.23 1897.46 1951.95 1998.27 2003.66 2034.31 2087.55 2121.72 2142.44 2249.66 2284.54 2337.00 2337.61 2338.85 2342.53 2634.43 2684.27 2724.64 3666.50 4535.24 4596.93 4620.05 4620.35 4690.44 4707.04 4715.51 4718.85 4787.40 4870.43 4877.97 4894.95 0.215094 0.225695 0.226639 0.176678 -461.083755 -461.073155 -461.072210 -461.122172 1.675734D-04
MUNgauss RevisionA2.1 retrievium 06-Apr-2022 GDB_13 Smiles: CC#CC1=CC2CC(=C)C=C2C1 RHF 6-31G(d) (6D,10F) C1 156.093900 |X|Y|Z| 50.569579 17.083792 11.201454
21.309962 8 6 8
|36.858105| |12.975633|36.858105| |7.166844|16.009006|36.858105| |4.653904|7.256514|13.270596|36.858105| |3.804095|5.314606|7.724744|14.329061|36.858105| |2.985822|3.870923|5.089690|8.115932|12.613836|36.858105| |2.517534|3.106466|3.823941|5.233308|7.102724|12.362723|36.858105| |2.296569|2.782003|3.352626|4.437063|5.125523|7.931513|12.471510|36.858105| |1.986763|2.337630|2.724740|3.394593|3.807105|5.194528|7.471921|14.412633|36.858105| |2.557409|3.162609|3.896783|5.359185|5.524860|8.087655|7.931595|12.871550|7.588781|36.858105| |3.019774|3.920414|5.152305|8.209955|8.183056|12.604482|7.981618|8.292940|5.352824|14.408905|36.858105| |3.775974|5.218209|7.367291|12.451489|8.005779|7.731430|5.169610|5.046952|3.790165|7.264244|12.682076|36.858105| |17.571536|9.025270|5.937497|4.154426|3.361780|2.749402|2.336712|2.184572|1.905079|2.465087|2.869967|3.623992|0.500000| |17.568128|9.025487|5.946071|4.149311|3.539083|2.800630|2.430921|2.212173|1.929792|2.425267|2.806043|3.382052|0.301202|0.500000| |17.568053|9.022154|5.942780|4.147306|3.541342|2.809797|2.371997|2.148826|1.871823|2.357576|2.774990|3.383064|0.301172|0.301228|0.500000| |3.809229|5.131583|6.817566|8.951750|17.727676|8.301497|6.061522|4.301620|3.376979|4.330552|5.660599|5.583351|0.090953|0.100626|0.100850|0.500000| |2.788646|3.528301|4.476559|6.490474|8.929912|17.455109|8.811598|6.496888|4.701279|6.427237|8.827660|6.382498|0.071703|0.071885|0.074629|0.193265|0.500000| |2.296026|2.769010|3.314867|4.293293|5.750011|8.610556|17.584550|8.698090|6.770188|5.762469|5.766592|4.151095|0.059132|0.061742|0.061090|0.149629|0.221760|0.500000| |2.592166|3.187080|3.885221|5.121686|6.868551|8.783169|17.527687|8.894821|6.316703|6.528760|6.554365|4.764302|0.066308|0.070826|0.067182|0.173848|0.175694|0.301280|0.500000| |1.863431|2.167535|2.495234|3.040875|3.479766|4.564265|6.753805|9.079650|17.707209|5.470494|4.345064|3.245931|0.049385|0.050614|0.049137|0.088984|0.118049|0.194527|0.166469|0.500000| |1.877750|2.184393|2.513241|3.062148|3.291011|4.275391|5.405896|9.089788|17.704025|6.825393|4.729243|3.519850|0.050587|0.050620|0.049064|0.081143|0.109750|0.136985|0.133348|0.288876|0.500000| |2.418509|2.925203|3.495816|4.495429|4.363571|5.606058|5.573645|8.445386|6.605940|17.723341|8.880277|6.214093|0.065938|0.063880|0.061643|0.098889|0.133273|0.122960|0.138413|0.134108|0.191754|0.500000| |3.814146|5.110605|6.679649|8.698419|5.958688|5.687533|4.389011|4.524315|3.546872|6.555758|8.776531|17.573182|0.104963|0.096043|0.092211|0.126781|0.132342|0.099123|0.117836|0.084218|0.094277|0.175683|0.500000| |3.655633|4.875910|6.413184|8.802972|6.313066|6.280021|4.339787|4.302160|3.383586|5.865780|8.762346|17.501811|0.099453|0.088730|0.093371|0.132489|0.165725|0.102335|0.108621|0.081540|0.088922|0.146869|0.301825|0.500000|
461.005266 -2281.551779 822.063491 -66.616621 -1065.099643 603.800799 -461.298844 2.000637 4040000000000005 4199F07E8BFFFFFC 4133C36C9B6DB6D8 40B6EB0000000000 C01C000000000000 4133B2A000000000