Version2.5
2022-07-27T12:28:44Z
10.1021/ja902302h
Gaussian16
RevisionB.01
RPOIRIER
16-Jul-2022
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
GDB_13 Smiles: CC1C=C(C)C2C3C4CN4CC123
RHF
6-31G(d)
(6D,7F)
CC1C=C(C)C2C3C4CN4CC123
C1[X(C11H15N)]
75
C1
210
CC1C=C(C)C2C3C4CN4CC123
CC1=CC(C23C1C2C1CN1C3)C
CC1C=C(C)C2C3C4CN4CC123
InChIKey=DETNYOPEPKLFNF-UHFFFAOYSA-N
InChI=1S/C11H15N/c1-6-3-7(2)11-5-12-4-8(12)10(11)9(6)11/h3,7-10H,4-5H2,1-2H3
InChI=1/C11H15N/c1-6-3-7(2)11-5-12-4-8(12)10(11)9(6)11/h3,7-10H,4-5H2,1-2H3
CC1C=C(C)C2C3C4CN4CC123
C01[X(C11H15N1)]
75
C1
210
CC1C=C(C)C2C3C4CN4CC123
C[C@@H]1C[C@@H]([C@@]23[C@@H]1[C@@H]2[C@H]1C[N@]1C3)C
C[C@@H]1C[C@H](C)[C@]23CN4C[C@@H]4[C@H]2[C@H]13
InChIKey=SUTKTTBSKZPOEN-CEDBYBORSA-N
InChI=1S/C11H17N/c1-6-3-7(2)11-5-12-4-8(12)10(11)9(6)11/h6-10H,3-5H2,1-2H3/t6-,7+,8-,9+,10+,11+,12+/m1/s1
InChI=1/C11H17N/c1-6-3-7(2)11-5-12-4-8(12)10(11)9(6)11/h6-10H,3-5H2,1-2H3/t6-,7+,8-,9+,10+,11+,12+/m1/s1
4.793918599067D+02
-2.563087812558D+03
722.9161389357
-479.6428506
1-A
1975.1023
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|
-15.55011 -11.25086 -11.24582 -11.24460 -11.23202 -11.23031 -11.23011 -11.22862 -11.22524 -11.22006 -11.21365 -11.21225 -1.29441 -1.18666 -1.06225 -1.03594 -0.99775 -0.94106 -0.87015 -0.86408 -0.81975 -0.78179 -0.73910 -0.72490 -0.68240 -0.62857 -0.62551 -0.59890 -0.59138 -0.58724 -0.57043 -0.56154 -0.55008 -0.53866 -0.51825 -0.49943 -0.49148 -0.46660 -0.46134 -0.44799 -0.42387 -0.38241 -0.36008 -0.32336
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
0.18351 0.23081 0.25260 0.25884 0.27242 0.27500 0.28299 0.29063 0.29752 0.30952 0.31408 0.32039 0.33180 0.33502 0.34414 0.34693 0.36006 0.36199 0.38271 0.39341 0.41085 0.41715 0.42344 0.43779 0.45028 0.49382 0.51578 0.53505 0.55495 0.57333 0.65130 0.71436 0.72056 0.72376 0.74719 0.76566 0.77083 0.79675 0.80908 0.82274 0.83522 0.83926 0.85933 0.86722 0.87564 0.89513 0.90703 0.91291 0.92312 0.95748 0.96293 0.97921 1.00181 1.01485 1.02782 1.03624 1.06106 1.07510 1.09982 1.10775 1.12049 1.12384 1.13317 1.13629 1.14948 1.15615 1.16807 1.17588 1.18257 1.18836 1.19286 1.21826 1.22718 1.24129 1.24280 1.24806 1.25874 1.28321 1.29215 1.36356 1.37316 1.39247 1.39773 1.48016 1.52467 1.54619 1.56922 1.60763 1.65332 1.67708 1.73090 1.77214 1.79692 1.81389 1.85952 1.89628 1.95870 2.00756 2.02746 2.03718 2.05297 2.07493 2.11644 2.12552 2.14255 2.16064 2.17094 2.17577 2.19605 2.23476 2.24346 2.27179 2.29307 2.29814 2.33081 2.35824 2.39374 2.41491 2.44501 2.46295 2.49363 2.51288 2.52370 2.54570 2.58173 2.60024 2.63461 2.64822 2.66200 2.68312 2.69766 2.72365 2.73640 2.75683 2.79206 2.81253 2.83224 2.86628 2.88846 2.91418 2.94036 2.99003 3.04782 3.06523 3.10047 3.12096 3.14756 3.17100 3.18946 3.21630 3.25900 3.34692 3.36978 3.45226 4.52071 4.59521 4.63233 4.68034 4.70001 4.77773 4.83195 4.87187 5.00128 5.03283 5.08153 5.16663
13.79252
-1.2070 0.6913 -1.0075
1.7175
|XX|YY|ZZ|XY|XZ|YZ|
-75.3158 -71.2470 -74.0201 2.7294 -3.4759 1.6804
|XX|YY|ZZ|XY|XZ|YZ|
-1.7881 2.2807 -0.4925 2.7294 -3.4759 1.6804
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-11.5817 -3.3429 1.2124 -2.0082 7.1531 -15.9329 1.0921 -0.0103 0.5881 5.6958
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-1615.5291 -787.3715 -286.4802 10.4022 -40.9157 -5.6197 5.4926 3.1718 1.4648 -395.6032 -337.1050 -181.1958 12.7585 -7.5420 7.3253
0
|0.64178172|-0.01390657|0.59653705|-0.01298356|-0.05406177|0.60054041|-0.10167831|-0.01740219|-0.01739966|0.52311660|-0.01641858|-0.14823925|-0.06008952|0.00887038|0.61919717|-0.01924507|-0.06095472|-0.15898744|0.00190461|-0.04088186|0.60949539|-0.00293917|-0.00680099|-0.00309455|-0.19036408|-0.04324277|0.02228956|0.68981645|-0.02503217|-0.01567204|0.00299320|-0.06057136|-0.13128895|0.01508754|-0.12879777|0.93940783|-0.02624872|-0.01199048|0.00833314|0.02523524|0.01065003|-0.09276955|-0.11723513|0.05892997|0.20313503|-0.00643943|-0.00018283|0.00219160|0.00284909|-0.02895250|0.00395200|-0.13474439|0.06885168|0.01563149|0.61638877|-0.00096026|0.00037485|0.00231150|-0.01281557|-0.03097569|0.00102425|0.05550823|-0.61515608|-0.03495866|0.01776800|0.97928635|0.00127968|-0.00105729|-0.00027064|0.00155724|0.00476740|0.00490013|0.01540861|-0.03632317|-0.07612529|-0.06611988|0.03180642|0.23311600|0.00148225|0.00008188|-0.00071492|-0.00057261|0.00352373|0.00345307|0.00994531|0.00179813|-0.00025786|-0.18565202|-0.07987347|0.01555725|0.62564929|-0.00114885|-0.00031906|0.00047523|0.00278743|-0.00301954|-0.00162244|-0.02832680|-0.02101307|0.00470546|-0.07443898|-0.18491231|0.01089901|-0.04363388|0.60303676|0.00249351|0.00123206|-0.00094954|0.00227444|-0.00189771|0.01525094|-0.00179436|-0.00022706|0.00868520|0.01649625|0.01203387|-0.09240590|-0.00362597|0.00716868|0.60990148|-0.00349190|0.00204112|0.00063850|0.00830831|0.00747156|0.00519389|-0.02172749|0.02406766|0.00907080|-0.22800283|0.03899191|0.02520832|-0.01775869|0.00453088|0.00361000|0.60648745|0.00484226|-0.00356692|0.00175452|-0.00694184|-0.03476198|-0.01759790|0.03584356|-0.01370562|-0.00636141|0.02832013|-0.10868504|-0.01789600|-0.02488666|0.01304257|0.00391975|-0.02292196|0.61075030|0.00204828|-0.00311749|0.00026172|-0.00494898|0.00111229|-0.00994710|0.00499166|-0.00613219|0.01007843|0.02879674|-0.01822167|-0.09125000|0.00209692|0.00013325|0.00319325|-0.02488397|0.23717426|0.46770577|0.00083239|-0.00158857|-0.00091534|-0.00467951|0.00093499|-0.02192821|-0.00288689|-0.00140511|-0.00159875|-0.02483000|0.01206527|-0.03005703|0.00084740|0.00052934|0.00034145|-0.13190414|-0.02677128|-0.06686428|0.59753383|-0.00310436|0.00226458|0.00065093|0.00823123|-0.01086526|0.02256590|0.00585241|-0.00173032|-0.00172562|-0.00623573|-0.00278826|0.00802391|0.00015367|-0.00091174|0.00018683|0.00230790|-0.04191432|-0.04096262|-0.09586921|0.34311955|0.00043076|-0.00096941|0.00207722|0.00059822|-0.00101175|0.00786374|0.00112057|-0.00205488|-0.00031084|0.00063871|0.00210679|0.01056590|0.00084296|-0.00078150|-0.00105802|-0.08271342|-0.07853712|-0.16697295|-0.05946829|0.00259270|0.77416315|0.00042642|0.00037015|0.00001589|-0.00146044|-0.00161734|0.00119740|-0.00117594|0.00046642|0.00037755|0.00008533|0.00157209|-0.00334623|0.00008221|-0.00008408|-0.00003229|-0.02426201|0.01121013|-0.00397553|-0.22761464|0.05893497|0.00900549|0.64329573|-0.00011090|0.00019875|0.00022474|-0.00044941|-0.00077134|0.00634237|-0.00254140|-0.00031433|0.00036069|-0.00090485|0.00105359|-0.00639043|-0.00032927|0.00086531|0.00018238|-0.02621027|0.00777357|0.00508308|0.05072754|-0.10820836|-0.00557702|-0.00703149|0.78684176|0.00011476|-0.00014904|-0.00021316|0.00084740|0.00047087|-0.00342023|-0.00046993|0.00035805|0.00069965|-0.00028582|0.00043148|-0.00431150|-0.00014660|0.00027510|0.00009221|-0.01753752|0.00921467|0.00355977|0.02335209|-0.00973552|-0.09403291|-0.03399400|-0.08790576|0.33952682|-0.00010335|0.00003477|-0.00015576|-0.00033572|-0.00006900|0.00048984|-0.00064357|0.00017927|0.00029850|0.00016726|0.00034779|-0.00196551|-0.00010293|0.00021586|0.00000161|-0.00528619|0.00119300|0.00413325|-0.02484278|-0.01983330|-0.02570984|-0.19764553|-0.11584734|-0.00143899|0.72015107|0.00031331|0.00035919|0.00007050|0.00032753|0.00063401|0.00041341|0.00043245|-0.00025161|-0.00035849|-0.00003475|0.00004311|0.00162551|0.00008919|-0.00016475|-0.00003560|0.00518535|-0.00161016|-0.00077864|0.00233964|0.00911101|0.01067515|-0.10786561|-0.19212342|-0.01284898|-0.06435283|0.67558033|0.00014284|0.00014459|0.00009127|0.00077977|0.00104657|-0.00051870|0.00025285|-0.00028476|-0.00008712|0.00048309|0.00024471|-0.00055885|0.00004273|-0.00000971|0.00005531|-0.00137068|-0.00188674|-0.00011919|0.00918177|0.00449524|0.00060225|-0.03938539|-0.04721125|-0.00989909|0.13554181|0.15218217|0.40272108|-0.00044191|-0.00030196|-0.00012058|-0.00338760|-0.00574178|0.00285764|-0.00157212|0.00140352|-0.00006980|-0.00082728|-0.00011901|0.00038002|0.00004428|0.00008284|-0.00001826|0.00272942|0.00024136|-0.00039532|-0.01893994|0.00073223|0.04539550|-0.10479329|0.01826082|0.03227671|-0.06382425|-0.00851678|-0.06996205|0.38512205|-0.00022064|-0.00004772|0.00025729|0.00160459|0.00275201|-0.00006112|0.00064970|-0.00085841|-0.00017187|0.00006333|0.00005748|0.00007505|-0.00000508|-0.00007823|0.00008371|0.00106193|-0.00003491|0.00011452|-0.00505730|-0.00122352|0.00171259|-0.03700846|-0.07944325|0.07732297|0.03628329|-0.09174538|-0.02131866|-0.07959044|0.34966882|-0.00001584|0.00029526|-0.00026837|0.00058314|-0.00025841|-0.00014275|-0.00005776|0.00037256|0.00028680|0.00049571|0.00032576|0.00089282|0.00000440|-0.00004482|-0.00020774|0.00076581|0.00006125|-0.00037118|0.00856341|-0.00234923|-0.01912251|0.09092528|0.07900594|-0.15813691|-0.07430956|-0.08226785|-0.22049000|0.05848110|-0.08424418|0.53860209|0.00107008|-0.00011181|0.00010297|-0.01092020|0.00031276|0.00449208|-0.00029956|0.00077674|0.00030555|-0.00039016|-0.00112487|0.00027681|-0.00023649|0.00010164|0.00007179|-0.01364886|-0.00356436|0.01415750|0.00609824|-0.00803890|0.00253312|0.01286624|-0.01020214|0.00339013|-0.01790720|0.01617285|-0.00651990|-0.15065958|0.06025734|-0.06120335|0.51732570|0.00211043|0.00052887|0.00014596|0.01639599|0.01031836|-0.01489189|0.00328299|-0.00385510|-0.00053568|0.00064553|-0.00630377|0.00229983|-0.00139384|0.00103294|-0.00010910|-0.02245287|-0.00183217|0.02044641|-0.00536688|-0.00297888|0.00090067|0.01784309|-0.03009409|0.01737582|-0.01371863|0.01130672|-0.00455730|0.05192940|-0.15145093|0.05517264|0.07288994|0.64966877|-0.00062129|0.00004259|-0.00050931|-0.00266101|-0.00306478|0.00069534|-0.00247439|0.00138079|0.00055148|-0.00143662|-0.00336703|0.00023345|-0.00090147|0.00083332|0.00024655|-0.01169797|0.00211044|0.00676112|0.02681693|0.01433487|-0.02615782|-0.00874948|0.01634913|-0.02593137|-0.01867948|0.02266358|-0.02837162|-0.01619424|0.00510300|-0.09751314|0.01342471|0.01496928|0.68213324|0.00855264|-0.00284433|0.00275722|-0.14946821|0.05828725|0.01143321|-0.04140095|0.01818432|0.00339657|-0.02800869|-0.03095967|0.01706966|-0.00459688|0.00372941|0.00208033|-0.09912395|-0.04578079|0.00602693|-0.06340556|0.01993035|0.01293058|-0.01009106|0.03361328|-0.01120923|0.00084014|0.00135606|0.00193746|-0.03719069|0.01679337|0.00442076|-0.17844640|-0.00812344|0.06172035|0.62098266|0.01919627|-0.02161398|-0.00378111|0.07012341|-0.15179209|-0.00097771|0.00041735|0.00612477|-0.00157116|-0.01542958|0.00043672|0.00201263|0.00197204|-0.00086834|0.00047895|-0.07658771|-0.19532849|-0.03341696|0.04881390|-0.12052002|0.10920625|0.01078753|-0.02087099|0.00329737|0.00044047|-0.00047809|-0.00259388|0.02906881|-0.00810276|-0.00029884|-0.02073271|-0.10010502|0.01290301|-0.04906299|0.62399609|0.01892560|-0.01641839|0.00052529|0.01166124|0.00168010|-0.09449150|0.01382330|-0.00777051|-0.00064202|-0.00542391|0.00715504|-0.00065292|0.00203079|-0.00143493|0.00095213|0.03239665|0.01274628|-0.04865137|-0.00879333|0.07088144|-0.15484494|-0.01259493|0.00784680|0.00285101|-0.00085473|0.00031434|0.00362094|-0.00459440|-0.00183813|0.00017335|0.06753552|0.00328335|-0.12783562|-0.10729974|-0.10319199|0.43643688|-0.20936289|0.14197388|0.00472378|0.00714311|-0.00724372|-0.00033595|0.00065400|-0.00022266|0.00059310|0.00025228|0.00021517|-0.00014926|-0.00007248|0.00001817|-0.00009437|0.00027378|-0.00035427|0.00012745|-0.00005815|-0.00017256|0.00003797|-0.00003288|-0.00003018|-0.00000359|0.00006683|-0.00027004|-0.00013286|0.00001447|0.00015258|0.00004016|-0.00000434|-0.00045522|-0.00009725|0.00027456|-0.00109873|-0.00120364|0.22388091|0.14044607|-0.19167508|-0.00419525|0.01978005|-0.01680670|0.00190657|0.00123934|0.00110394|0.00071316|0.00033718|-0.00023833|-0.00010776|-0.00010218|0.00008443|-0.00003641|0.00073665|-0.00114766|-0.00120249|-0.00015277|0.00124015|-0.00023432|-0.00026112|0.00001285|-0.00007105|-0.00001900|-0.00009539|-0.00005325|0.00028826|-0.00004088|-0.00001663|-0.00036462|-0.00064337|0.00016780|-0.00260057|-0.00268283|-0.00365966|-0.15630853|0.20567589|0.00383584|-0.00301554|-0.05984865|0.02199421|-0.01888435|0.00028142|0.00027072|0.00124207|0.00080879|0.00042121|-0.00001797|-0.00023642|-0.00009653|0.00007045|-0.00005824|0.00083667|-0.00096535|-0.00062503|0.00004717|0.00049931|0.00013694|-0.00005501|-0.00003894|0.00001771|0.00006164|-0.00015590|-0.00013514|0.00013119|-0.00003967|0.00021176|-0.00033584|-0.00018954|0.00024907|-0.00293983|-0.00311724|-0.00377642|-0.00372885|0.00690307|0.05871761|-0.26863706|-0.11342770|0.04836619|-0.00451133|-0.00159098|0.00240630|0.00135065|-0.00111974|-0.00170663|-0.00051088|0.00022829|-0.00016835|0.00023556|-0.00010007|0.00013866|0.00005249|-0.00017599|0.00013295|0.00006734|-0.00028900|-0.00017369|-0.00011519|0.00007922|0.00003142|0.00002459|-0.00021764|-0.00004575|0.00017814|0.00009580|-0.00013684|-0.00010915|-0.00058388|0.00027868|0.00017946|0.00041221|-0.00020285|-0.02321700|-0.01307584|0.00593577|0.28985491|-0.11291182|-0.12016572|0.02694884|-0.02315121|-0.01191131|0.00730467|0.00130463|-0.00284293|-0.00555002|-0.00170923|0.00006178|-0.00001679|0.00053907|-0.00033575|0.00067183|-0.00016301|0.00038267|0.00022392|0.00009490|-0.00074767|0.00024673|-0.00016465|0.00009541|0.00005124|0.00012434|-0.00050216|-0.00013995|0.00013826|0.00025356|-0.00008371|-0.00024312|-0.00086100|0.00000700|-0.00053640|0.00107742|0.00054359|0.02282913|0.01500397|-0.00591963|0.12654635|0.12605402|0.04980267|0.02755947|-0.07177173|-0.02636643|-0.01255564|0.00709215|0.00112845|-0.00345771|-0.00391151|-0.00138132|-0.00092677|0.00035089|0.00037347|-0.00030592|0.00043575|-0.00050999|0.00025676|0.00002755|0.00018303|-0.00017667|-0.00039177|0.00008843|0.00006287|0.00015087|0.00001924|0.00020906|0.00017335|-0.00000214|0.00008391|-0.00015774|-0.00006495|-0.00043405|0.00008770|0.00037811|0.00103714|0.00083980|0.00001031|-0.00002820|-0.00066563|-0.05477296|-0.02695209|0.07177190|-0.06148453|0.00764805|-0.01668870|-0.00088569|0.00379608|-0.00716493|0.00017237|0.00109131|-0.00014358|0.00031053|-0.00032168|0.00011132|-0.00006822|0.00005209|0.00004505|-0.00000931|-0.00012228|-0.00017065|0.00003546|0.00023985|-0.00009205|-0.00003873|0.00002504|0.00009511|-0.00006012|0.00019275|0.00011320|0.00004899|0.00000715|-0.00018670|-0.00016934|-0.00028702|0.00020952|0.00004824|-0.00018189|0.00112849|-0.00073320|0.01114957|-0.02659682|0.00457150|-0.01386187|0.03103397|0.05763316|0.00820510|-0.11082818|0.11165688|-0.00199079|0.01269849|-0.02525526|0.00057898|0.00185212|0.00037774|0.00022185|-0.00013243|0.00020805|-0.00005981|0.00001488|-0.00009074|-0.00005252|0.00035561|0.00021116|0.00009751|-0.00071143|0.00023438|0.00014767|0.00005554|0.00008195|0.00003429|0.00007943|0.00001685|-0.00002315|0.00004304|0.00001911|0.00001069|-0.00013609|0.00000508|-0.00015492|0.00163267|-0.00007155|0.00008730|-0.01060681|0.02322395|0.00223270|-0.00738310|0.01449985|-0.00835500|0.11751791|-0.01673530|0.10894337|-0.29155788|-0.00162505|0.01222218|-0.02376410|0.00104192|0.00114608|0.00148305|-0.00031291|-0.00065765|0.00039386|0.00003848|-0.00006144|-0.00022617|-0.00031984|0.00064619|0.00024911|0.00089053|-0.00024129|0.00023513|0.00009628|-0.00014650|0.00014552|0.00011074|-0.00021456|-0.00023077|0.00002588|-0.00008140|0.00042691|-0.00001801|0.00016648|-0.00004909|-0.00064883|0.00146526|-0.00006263|-0.00082236|-0.00040970|0.00296336|0.00039693|0.00265250|-0.00506369|0.01982517|-0.12009374|0.31707430|0.00048761|0.00381082|-0.00738170|-0.06205296|0.00898103|-0.01228696|0.00505004|-0.02002179|0.02948516|-0.00394188|0.00030053|0.00100465|0.00026369|-0.00069673|-0.00298526|-0.00024800|-0.00033630|0.00164992|-0.00333060|0.00240107|0.00160365|0.00100290|0.00178840|-0.00068319|0.00026721|-0.00009639|-0.00019932|0.00024940|-0.00034462|0.00063785|0.00086911|-0.00025029|-0.00062109|-0.00216672|0.01423230|-0.02693222|0.00032442|-0.00020982|0.00059633|-0.00000338|0.00064233|0.00010335|0.00062848|-0.00115691|-0.00132516|0.06411070|-0.00229232|0.01233708|-0.02676538|0.01272273|-0.11555343|0.11056919|-0.00130795|-0.01190732|0.01499956|-0.00330398|0.00026428|0.00120227|-0.00016541|-0.00024585|-0.00195938|-0.00001924|0.00007440|0.00126508|0.00287911|-0.00204500|-0.00241319|-0.00099492|-0.00095503|0.00055667|-0.00009533|-0.00006629|0.00020686|-0.00012288|0.00013536|-0.00063076|-0.00073273|0.00103092|0.00053147|0.00236674|-0.01194171|0.02385635|0.00039390|0.00134529|0.00112282|0.00019350|0.00116177|0.00129493|-0.00134194|-0.00353953|-0.00481342|-0.00881265|0.12974730|-0.00239147|0.01214486|-0.02660735|-0.01662697|0.10770836|-0.26438796|0.00162256|0.00395193|-0.00207418|0.00139695|-0.00084818|0.00061049|-0.00015292|0.00024773|0.00015723|-0.00051227|0.00109797|-0.00066496|0.00058777|-0.00082513|0.00103887|0.00003511|-0.00025096|0.00001671|0.00001981|-0.00003663|-0.00018036|-0.00027822|0.00011071|0.00030470|0.00045699|0.00047820|0.00053026|-0.00041739|-0.00129400|0.00369085|0.00094823|0.00001282|0.00093043|-0.00066853|0.00011578|0.00122210|-0.00129796|-0.00494997|-0.00306717|0.01749942|-0.11806526|0.28840872|0.00051437|0.00113040|0.00035447|-0.01255925|0.01591695|0.00329846|-0.29982313|0.11930339|0.06082093|0.00077657|-0.00204270|0.00121491|0.00029609|-0.00013962|-0.00160061|0.00130213|0.00022249|0.00316683|0.00028785|-0.00058566|0.00006243|0.00011909|0.00010228|0.00021510|0.00000408|0.00002315|0.00014872|-0.00068517|0.00035189|-0.00013704|0.00024369|0.00118587|-0.00068835|-0.00342329|-0.00305789|0.00179388|0.00021805|-0.00095492|-0.00034051|0.00029578|-0.00029628|-0.00019087|-0.00015014|-0.00008236|-0.00034094|-0.00003716|-0.00051127|0.00071563|0.31241160|0.00063826|0.00137568|0.00021402|-0.01471616|0.01304983|0.00281610|0.11427693|-0.13154800|-0.02926796|0.03270107|-0.00639142|-0.00728180|0.00126563|0.00169852|0.00016400|0.00005283|-0.00585671|-0.00097070|-0.00019507|-0.00076857|-0.00017735|0.00010814|0.00036389|0.00022809|0.00009178|-0.00005374|0.00016660|-0.00052462|0.00020942|-0.00001500|-0.00017887|0.00100932|-0.00030867|-0.00429547|-0.00284542|0.00055969|0.00012471|-0.00031548|-0.00009975|0.00024114|-0.00002690|0.00013511|0.00004530|-0.00006817|-0.00017089|0.00094576|0.00012658|0.00039238|-0.13111952|0.12985950|0.00050403|0.00048679|0.00019832|0.00041808|-0.00367669|0.00147849|0.06186006|-0.03084270|-0.05866373|0.00097697|0.00166427|0.00626901|-0.00135606|0.00024210|-0.00686549|0.00424777|0.00192985|0.01134545|0.00278787|-0.00136031|-0.00045623|0.00073247|0.00053895|0.00061952|0.00025374|-0.00021627|0.00009141|-0.00011709|-0.00019337|0.00005725|0.00015638|0.00020423|0.00065112|0.00029141|-0.00200382|0.00019107|-0.00002177|0.00005811|0.00015310|0.00012527|0.00022512|-0.00000526|-0.00016239|0.00001501|-0.00017409|-0.00078395|-0.00019775|-0.00027114|-0.06810400|0.03350722|0.04484178|0.00003601|0.00002394|0.00005202|-0.00013225|-0.00010273|-0.00000857|0.00183156|0.00129218|-0.00048497|-0.02340810|0.01345350|0.00426906|-0.29215531|0.10283278|0.04687267|-0.00034370|-0.00510723|0.00014397|0.00033621|0.00014216|0.00025627|0.00009929|-0.00020763|-0.00005237|-0.00003676|0.00004545|-0.00000906|-0.00006003|0.00005783|0.00001183|0.00006251|-0.00046582|-0.00033475|-0.00103116|0.00047504|0.00066048|0.00002633|-0.00007861|-0.00002310|-0.00000797|-0.00001146|-0.00000120|-0.00001966|0.00002300|-0.00000185|-0.00003559|-0.00007127|0.00000765|0.00054246|-0.00106348|-0.00008190|0.31642205|0.00008393|0.00001146|-0.00005800|0.00001183|0.00044104|0.00018182|0.00036297|0.00133221|-0.00005607|-0.02809207|0.01483323|0.00560286|0.10677914|-0.10718759|-0.02111511|-0.00201136|-0.00426197|-0.00005980|-0.00005455|0.00001674|0.00023123|0.00002707|-0.00020724|-0.00005269|-0.00004693|0.00004063|0.00001518|-0.00003863|0.00003750|0.00001222|-0.00007258|-0.00032593|-0.00031086|-0.00134347|0.00028999|0.00045646|-0.00000565|-0.00002734|-0.00001238|0.00001979|0.00003267|0.00003290|-0.00000644|-0.00000192|0.00001055|0.00006097|0.00001677|-0.00002142|0.00026493|-0.00023449|-0.00011761|-0.11326468|0.11205577|-0.00005403|-0.00002629|0.00001778|-0.00003322|0.00004020|-0.00022422|-0.00050970|-0.00005984|-0.00023424|0.00335638|-0.00224069|-0.00181086|0.04685609|-0.02034416|-0.06834235|0.00012195|0.00024241|0.00148650|0.00050856|0.00019422|-0.00010656|0.00001182|0.00013515|0.00004922|0.00003106|-0.00002185|0.00001142|0.00001177|-0.00000857|-0.00000436|-0.00003731|-0.00006709|0.00001262|-0.00000077|0.00002633|0.00038589|-0.00000220|0.00000700|0.00001021|0.00000334|-0.00000377|-0.00001810|-0.00001256|0.00000054|-0.00001477|0.00008399|0.00002963|-0.00002436|-0.00003159|0.00016114|0.00031397|-0.05239845|0.02294079|0.06481643|-0.00069614|-0.00013289|0.00036305|0.00047688|-0.00070575|-0.00214329|-0.00254834|-0.00116753|-0.00008580|0.00972801|-0.01774316|0.02309948|-0.07729617|0.04167428|-0.05020429|0.00107154|0.00119869|0.00000784|-0.00029196|-0.00030112|-0.00015238|-0.00005184|0.00009292|0.00001143|0.00001254|-0.00002834|0.00000889|-0.00002137|0.00004338|-0.00005935|0.00003234|0.00021113|0.00005187|0.00034867|-0.00002961|-0.00047438|0.00002891|0.00004255|0.00003017|-0.00009860|-0.00025043|-0.00015500|0.00003246|0.00002815|-0.00000455|-0.00000505|0.00018206|0.00006057|0.00018738|-0.00020161|0.00022592|-0.00637772|0.01921998|-0.02712533|0.07625331|-0.00081968|-0.00014351|0.00048160|0.00012406|-0.00056434|-0.00250680|-0.00386442|-0.00018476|0.00073149|0.00737742|-0.02060898|0.02048519|0.04253582|-0.15870814|0.13055131|0.00083763|0.00102206|-0.00042629|-0.00089564|0.00000361|0.00007625|-0.00005766|-0.00006615|-0.00009267|-0.00004432|-0.00000838|0.00002772|-0.00007129|0.00007477|-0.00009625|0.00006956|0.00020818|-0.00004550|0.00024990|-0.00033207|-0.00049484|0.00004368|0.00003841|0.00002494|-0.00009829|-0.00026622|-0.00021223|0.00000210|0.00002540|-0.00005287|0.00017333|0.00014642|0.00003659|0.00025276|0.00004319|0.00106359|0.00302014|-0.00873717|0.01073188|-0.04312230|0.17270914|0.00013549|-0.00007377|-0.00009402|-0.00031878|0.00010516|-0.00013579|0.00056976|-0.00081455|0.00002796|-0.00010248|0.00114184|0.00074327|-0.05105719|0.12958522|-0.21871274|-0.00017276|0.00001946|0.00012617|0.00045399|0.00014032|0.00016159|-0.00001821|0.00011448|-0.00003180|0.00001642|-0.00000706|-0.00002211|0.00008451|-0.00005996|0.00004689|-0.00004075|-0.00007052|-0.00000109|0.00007342|0.00007994|0.00019927|-0.00000910|-0.00002515|-0.00001469|0.00003023|0.00006267|0.00003029|-0.00002158|-0.00000807|0.00001838|0.00015221|0.00004286|-0.00003600|0.00000420|0.00001950|0.00011597|0.00074061|-0.00581120|0.00766617|0.05766353|-0.14400107|0.23470356|-0.00004950|0.00021186|0.00003741|0.00081984|-0.00073307|0.00176070|-0.00264004|-0.00053336|0.00087151|0.00041777|-0.01574992|-0.02440555|-0.06144046|-0.00901864|-0.01347805|0.00114708|0.00015848|-0.00005397|0.00013317|-0.00006386|-0.00002713|0.00000750|0.00007324|0.00005520|0.00002593|-0.00000965|0.00001928|-0.00007753|0.00006227|0.00000003|0.00003384|0.00005013|0.00000615|0.00020225|-0.00024190|0.00003026|0.00000528|0.00003338|0.00002571|-0.00004287|-0.00005306|-0.00001883|0.00003447|0.00000775|-0.00005412|-0.00065791|-0.00039535|0.00004944|0.00008270|-0.00016925|-0.00031557|0.00448925|0.01835584|0.02952660|-0.00074812|-0.00544653|-0.00832667|0.05866001|0.00009794|0.00021249|0.00005984|0.00083538|-0.00089293|0.00238394|-0.00398699|-0.00002354|0.00074094|-0.00071141|-0.01937435|-0.02328828|-0.00862874|-0.14210476|-0.13108573|0.00096755|0.00041527|0.00061070|-0.00003617|0.00016696|-0.00009304|0.00001170|0.00000438|0.00002515|0.00000925|-0.00000911|0.00001120|-0.00010447|0.00008022|0.00001803|0.00002926|0.00001820|-0.00014954|0.00029017|-0.00012005|0.00021521|0.00001068|0.00001235|-0.00000296|-0.00005824|-0.00003614|-0.00001906|0.00003914|0.00000984|-0.00005346|-0.00081235|-0.00048597|0.00010170|-0.00021013|0.00017851|-0.00106839|-0.00117337|-0.00824337|-0.01183832|0.00106167|0.01538594|0.01955694|0.01304512|0.15444805|-0.00013666|-0.00002094|0.00003970|-0.00002500|0.00010478|-0.00061617|0.00007917|0.00113292|-0.00009341|0.00008470|0.00366322|0.00864639|-0.01255668|-0.13000872|-0.25009747|-0.00013378|-0.00056188|0.00000624|-0.00000477|0.00007389|-0.00006026|0.00004018|-0.00009930|0.00000441|-0.00000160|0.00001631|-0.00000028|-0.00005758|0.00002957|0.00005145|0.00000464|-0.00002679|-0.00008008|-0.00024271|0.00005022|0.00017459|0.00001011|0.00001050|0.00000454|-0.00003022|-0.00005844|-0.00002082|0.00000917|0.00000338|0.00001309|0.00008670|0.00006452|-0.00002606|0.00001419|0.00005322|0.00016597|0.00043379|-0.00199360|-0.00403619|-0.00113941|-0.01619028|-0.02454317|0.01392496|0.14363950|0.27028361|0.00102449|-0.00025385|-0.00026064|-0.00204893|-0.00045055|0.00012277|-0.00627778|0.00065190|0.00137607|0.00204076|0.02498833|0.01991587|0.00171672|0.00041652|-0.00029499|-0.08263791|0.05474389|0.05123162|0.00322507|-0.01497697|-0.01062142|0.00190826|0.00020782|-0.00091184|0.00023785|-0.00007457|-0.00004206|-0.00024841|-0.00027664|0.00038872|0.00159195|-0.00000181|0.00002600|0.00066996|-0.00741812|-0.01047629|0.00005201|-0.00030335|-0.00009185|0.00008411|0.00026887|0.00013452|-0.00007518|0.00002392|0.00013670|0.00024033|0.00001308|-0.00001913|-0.00040636|0.00177482|-0.00164226|0.00010335|-0.00007768|-0.00033882|-0.00010443|-0.00020432|0.00009276|-0.00044898|-0.00065654|-0.00038567|0.08059903|0.00167359|-0.00121432|0.00062137|-0.00272669|-0.00261166|-0.00357157|-0.00046795|0.00018250|-0.00049008|0.00096269|-0.00118933|0.00115687|0.00034891|0.00000663|-0.00005982|0.05181562|-0.22048639|-0.14785113|-0.00563658|0.00235280|0.00548906|-0.00055675|0.00044298|-0.00177595|-0.00008689|0.00027793|-0.00001338|-0.00034427|0.00028121|0.00053172|0.00262867|0.00177783|0.00009003|0.00968673|-0.01244563|-0.01830215|-0.00008271|-0.00058928|-0.00046681|-0.00008600|0.00005250|0.00001893|-0.00002300|0.00014335|-0.00000101|0.00011139|-0.00010249|0.00017384|0.00029108|-0.00000880|-0.00012769|0.00018592|0.00012531|0.00008202|0.00002511|0.00009103|0.00003402|0.00031876|0.00034299|0.00003069|-0.05814780|0.23135893|-0.00090294|0.00070670|-0.00037547|0.00156484|0.00253651|0.00147124|0.00150602|0.00027672|-0.00032483|-0.00155829|-0.00139047|-0.00115364|-0.00001038|-0.00007425|0.00015817|0.05050269|-0.14854373|-0.17278022|0.00924843|-0.02038602|-0.01654383|0.00368976|0.00185152|0.00090587|0.00023531|0.00010892|0.00031540|-0.00087433|-0.00017224|0.00068621|-0.00053168|-0.00194338|0.00068270|-0.01024036|0.00827581|0.00793579|0.00005208|0.00026103|0.00037132|0.00000201|-0.00007759|-0.00000558|-0.00000956|-0.00002036|0.00022312|-0.00008174|0.00001004|-0.00000464|-0.00022028|-0.00006901|0.00019249|-0.00002411|0.00017931|0.00005311|0.00012946|0.00002106|-0.00023317|0.00028848|0.00016034|0.00012564|-0.04861504|0.16144281|0.17989696|-0.00011176|0.00006457|0.00035311|0.00059232|0.00059636|-0.00006530|0.00049480|0.00038221|0.00067539|0.00261085|-0.00203809|-0.00045846|-0.00013847|-0.00002362|-0.00028819|0.00692624|-0.00292367|-0.02135956|-0.10111892|0.02232722|0.10781951|-0.00339392|-0.00087841|0.02748735|0.00311839|0.00021741|-0.00077064|-0.00668235|0.00080719|0.00495863|-0.00193621|0.00147081|-0.00102751|-0.00275520|0.00005525|-0.00343976|-0.00002189|0.00003745|-0.00004354|-0.00000761|0.00002506|-0.00004359|0.00016249|0.00027805|-0.00024038|-0.00004425|-0.00004828|-0.00006125|-0.00003204|0.00007162|-0.00005970|-0.00006987|-0.00003162|0.00001216|-0.00002129|-0.00007193|0.00001914|0.00003995|0.00002540|0.00006855|-0.00112680|0.00099911|-0.00251181|0.10439916|0.00021397|-0.00034615|0.00014677|-0.00057828|0.00110761|-0.00231274|0.00028836|0.00025221|0.00062057|0.00253386|-0.00020472|0.00239362|0.00001296|0.00004112|-0.00015875|0.00996933|-0.00577114|-0.01542304|0.02214359|-0.05476944|-0.04137798|0.00196904|-0.00032555|-0.01160722|-0.00029425|0.00038310|0.00130878|0.00137418|-0.00087936|0.00029979|0.00197888|-0.00057339|0.00509783|-0.01505055|0.01080451|0.02186293|-0.00002738|0.00013366|-0.00037636|0.00005001|0.00007774|0.00000176|0.00018748|-0.00104381|-0.00037052|-0.00056076|0.00029111|-0.00025896|0.00000606|0.00012669|-0.00020526|-0.00000308|-0.00002159|0.00003471|-0.00016520|-0.00017557|0.00003018|0.00004669|-0.00001669|0.00007430|-0.00153033|0.00112836|-0.00369997|-0.02109674|0.05056887|-0.00043684|0.00038426|-0.00078162|0.00153554|-0.00029092|0.00062014|-0.00026605|0.00110021|0.00099291|0.00190386|-0.00240828|0.00154954|-0.00065530|0.00035069|-0.00007991|0.00401138|0.00039265|-0.01448188|0.10506347|-0.03833036|-0.32310925|-0.00103471|-0.00023684|0.00415014|0.00127823|0.00033019|-0.00005625|-0.00145657|-0.00037688|0.00178555|-0.00141730|-0.00062936|-0.00186046|0.00122599|-0.00487874|-0.01071250|0.00005520|0.00009178|0.00041124|-0.00000598|-0.00011582|0.00009790|0.00002808|-0.00015658|0.00078524|-0.00006866|0.00005498|0.00005955|-0.00014116|0.00003737|-0.00011302|-0.00015774|-0.00012430|0.00000338|-0.00006027|-0.00009594|-0.00005018|0.00008962|0.00004009|0.00004569|-0.00045827|0.00132602|-0.00141242|-0.11088959|0.04292427|0.34267826|-0.00008903|-0.00024724|-0.00006324|0.00016782|0.00006692|-0.00228112|0.00025045|0.00005799|-0.00005931|0.00012648|-0.00011700|-0.00000565|0.00001465|0.00008494|-0.00005017|0.00270452|-0.00119455|0.00176464|-0.00173719|0.03004528|-0.00699922|-0.07706398|0.06623861|-0.00611094|0.00629523|-0.02288557|0.00304504|0.00003792|-0.00980025|0.00510147|-0.00224193|-0.00062479|-0.00043130|-0.00470241|0.00354612|0.00313028|0.00000472|0.00009264|0.00001661|0.00006307|0.00008518|-0.00002001|0.00001964|-0.00005981|-0.00000331|-0.00067966|0.00057514|0.00000686|-0.00007130|-0.00003655|0.00002537|-0.00002520|-0.00002867|0.00001414|-0.00002939|-0.00003735|0.00005729|-0.00003355|-0.00003328|-0.00001968|-0.00013700|-0.00054124|-0.00109745|-0.00079532|0.00027530|0.00055529|0.07777936|-0.00000050|0.00000971|0.00002822|-0.00001541|0.00022926|0.00013319|0.00002045|-0.00003270|-0.00000813|0.00000582|0.00007850|0.00020764|0.00000907|-0.00007961|0.00001732|0.00065560|0.00101618|0.00054588|0.00012229|-0.00381420|-0.00016130|0.06403779|-0.35329873|0.03021940|0.00534726|-0.01338887|0.00294042|-0.00489312|-0.00308616|0.00575945|-0.00133035|-0.00066065|-0.00153158|0.00003736|0.00045994|-0.00146948|0.00004117|-0.00003854|-0.00000108|0.00000774|0.00004695|-0.00000378|-0.00001530|0.00001706|0.00001467|0.00006903|-0.00001747|-0.00002227|0.00004664|0.00001691|-0.00003901|0.00002174|0.00002678|-0.00001231|0.00002072|0.00003461|-0.00003958|0.00001891|0.00001855|0.00001380|0.00054740|-0.00015488|0.00054554|0.00089340|-0.00060917|0.00001169|-0.06459565|0.37289064|0.00006716|-0.00000189|0.00002762|-0.00026904|-0.00006851|0.00027335|-0.00002348|0.00001586|-0.00000494|-0.00022740|-0.00008366|0.00000051|-0.00000191|-0.00001863|0.00002640|0.00006815|0.00109314|0.00037803|0.00014052|-0.00710701|0.00384797|-0.00494224|0.02219808|-0.05263558|0.01033757|-0.01714203|-0.00207492|-0.01036594|0.03253682|-0.00280795|0.00461188|0.00564449|-0.00029590|0.00151504|0.00036566|-0.00198060|0.00001142|-0.00003071|0.00001198|-0.00002674|-0.00001163|-0.00003721|-0.00003057|0.00000827|0.00003493|0.00011615|-0.00017490|0.00010854|-0.00000533|-0.00003800|0.00000093|0.00001145|-0.00000334|-0.00001054|0.00000187|0.00001284|0.00000088|-0.00001546|-0.00000229|-0.00001567|0.00008294|-0.00002174|0.00001800|-0.00027056|0.00024585|-0.00037100|0.00261496|-0.03857153|0.05459221|-0.00004448|-0.00000402|-0.00004203|0.00002337|-0.00016387|-0.00001908|-0.00024173|0.00009041|0.00008526|0.00027919|0.00007281|-0.00051943|-0.00003147|0.00010902|0.00000661|-0.00122750|-0.00006927|0.00086578|-0.00061871|-0.00288776|-0.00337116|-0.01542026|0.01087197|-0.00334993|-0.33361689|0.09163750|-0.05732018|0.00251605|-0.00529562|-0.00704305|0.00016665|-0.00069648|0.00178788|0.00060085|0.00025241|0.00021763|-0.00003105|0.00004549|0.00001553|0.00002227|0.00000390|-0.00000457|0.00000566|-0.00002497|-0.00000675|0.00000538|0.00006927|-0.00002811|-0.00004241|0.00003784|0.00009965|-0.00005136|-0.00001368|0.00001296|0.00001594|-0.00001392|0.00000812|0.00000693|-0.00001231|-0.00001040|0.00001227|-0.00003666|-0.00000220|-0.00006358|0.00014857|0.00007417|0.00122369|-0.00013842|0.00080291|0.34999439|-0.00010970|-0.00008608|-0.00005023|-0.00017764|-0.00016708|-0.00017771|-0.00024002|0.00011130|0.00012307|0.00018234|0.00014546|-0.00053315|-0.00001947|0.00005860|0.00000352|-0.00143900|0.00049956|0.00069047|-0.00035333|-0.00323132|-0.00374175|-0.02378453|0.01152856|-0.00451235|0.09299778|-0.09384580|0.01402989|-0.00148447|-0.00064315|-0.00479174|-0.00052465|-0.00025469|0.00186161|-0.00033420|0.00078567|-0.00030815|0.00009544|0.00002846|0.00005325|0.00006602|0.00017158|-0.00005931|-0.00006982|-0.00002474|0.00006995|0.00002375|0.00005159|-0.00000057|-0.00001205|0.00003781|0.00010099|-0.00001753|-0.00000682|0.00000580|0.00001554|0.00000261|-0.00000232|0.00000965|0.00000199|-0.00000245|0.00009745|-0.00001314|0.00014911|-0.00011157|-0.00002489|0.00020806|0.00111392|0.00103785|0.00198729|-0.09498686|0.08826049|-0.00008224|-0.00004627|-0.00001560|-0.00020734|-0.00031540|0.00024626|-0.00002262|0.00014239|0.00000748|0.00000302|0.00000127|0.00042849|0.00001794|-0.00004134|-0.00001834|0.00125637|0.00025579|-0.00040566|0.00176169|0.00206278|0.00279402|0.01071836|-0.01015075|-0.00238857|-0.05077027|0.01272470|-0.05986065|-0.03614391|0.01426483|-0.01146456|-0.00343104|-0.00612145|-0.00208861|-0.00090130|0.00163333|-0.00141289|0.00003375|0.00002200|0.00004080|0.00001949|0.00002787|-0.00003986|-0.00002625|0.00000613|0.00005563|0.00006251|-0.00008354|0.00003579|-0.00006132|-0.00005111|-0.00004099|0.00000931|0.00000769|-0.00000908|-0.00000633|-0.00000080|0.00000063|-0.00000906|-0.00000556|0.00000084|0.00004680|0.00006097|0.00007790|-0.00011588|-0.00019217|0.00004166|-0.00157993|-0.00060362|0.00018084|0.06806267|-0.01252058|0.06951683|-0.00006250|0.00002967|-0.00011553|-0.00002665|0.00010498|-0.00002400|0.00001644|-0.00002540|0.00001950|0.00000906|0.00004891|0.00011933|0.00000043|-0.00001271|-0.00001496|0.00045735|-0.00013910|0.00002143|0.00110513|-0.00068480|0.00130186|0.00764720|-0.02236088|-0.01130575|-0.08749809|0.08224591|0.02387813|-0.00201798|-0.00565871|0.00067051|0.00120978|-0.00085150|-0.00226488|0.00020672|-0.00030444|-0.00039829|0.00006030|-0.00002032|0.00004711|-0.00003902|0.00011481|-0.00002577|-0.00010061|0.00001760|0.00009248|0.00001851|-0.00000006|0.00003961|0.00001241|0.00001085|-0.00003379|0.00000617|0.00000596|-0.00000331|0.00000710|0.00000926|-0.00000831|0.00000651|0.00000550|0.00000494|-0.00006688|0.00014330|0.00017020|-0.00029200|0.00005803|0.00029965|-0.00207357|-0.00143637|-0.00249029|-0.00360188|0.02842852|0.01199389|0.08503230|0.00003113|-0.00005210|-0.00011689|-0.00017369|-0.00018113|-0.00013056|-0.00007573|0.00006478|0.00004485|0.00002079|0.00011163|0.00007090|0.00000618|-0.00001687|-0.00001321|0.00032274|0.00058440|0.00012146|0.00251382|0.00061590|0.00213926|0.00863354|-0.01913367|-0.00925308|0.07634268|-0.30389571|-0.09843410|-0.00593780|0.00310407|0.00001443|0.00085476|0.00033947|0.00072563|-0.00088529|0.00111672|-0.00085307|0.00006626|0.00001196|0.00008957|0.00012541|0.00005504|-0.00005199|-0.00008765|-0.00003461|0.00011784|0.00002481|0.00000460|0.00003308|-0.00002070|0.00000273|-0.00000586|-0.00000020|0.00000949|-0.00000643|0.00001096|0.00000623|-0.00001244|0.00000521|0.00000171|0.00000865|0.00024059|0.00004100|0.00025444|-0.00084529|0.00006920|0.00012689|-0.00200084|-0.00073932|-0.00265958|0.00107124|-0.00489215|-0.00201083|-0.07958031|0.32174250|-0.00015871|-0.00016055|0.00009851|-0.00018409|-0.00014474|-0.00002055|-0.00010984|0.00004701|0.00005717|0.00008936|0.00005576|-0.00008547|-0.00000599|0.00002112|-0.00001188|-0.00005730|-0.00012359|0.00016141|-0.00115488|-0.00149390|-0.00018082|-0.00759483|0.01438505|0.00064650|0.02131517|-0.09173006|-0.08821645|0.00424189|-0.04049789|-0.01944558|0.00313740|-0.00244499|0.00425568|-0.00019203|0.00038171|-0.00001553|0.00008216|0.00004616|-0.00000994|0.00004553|0.00016267|-0.00001476|0.00003254|0.00000696|-0.00001428|0.00001099|0.00000172|-0.00001150|-0.00001483|0.00000523|0.00001358|-0.00000522|-0.00000216|0.00000438|0.00000545|0.00000417|0.00000214|0.00000645|0.00000238|-0.00000154|0.00004581|0.00011466|-0.00003139|-0.00015890|0.00001147|-0.00011589|0.00230944|0.00159194|0.00204507|-0.00031817|0.00723140|0.00491952|-0.02203372|0.11028981|0.09572033|-0.00004988|-0.00006268|-0.00011930|0.00029332|-0.00135960|0.00091646|-0.00021931|0.00016100|-0.00024031|0.00010672|0.00035131|-0.00003404|0.00007625|-0.00004288|0.00004185|0.00271926|0.00202028|-0.00272612|-0.00404442|0.00237975|0.00466967|-0.00151997|0.00003520|-0.00198649|-0.00184550|0.00383929|-0.00295316|-0.00805329|-0.00321554|-0.02722099|-0.06205153|-0.01022760|-0.03026344|0.00325433|0.00479867|0.03426816|0.00005047|0.00009469|-0.00001067|0.00007301|0.00008739|0.00000679|-0.00001041|-0.00004920|-0.00009270|-0.00011234|0.00038443|-0.00050930|-0.00008808|-0.00004095|-0.00005979|0.00000657|0.00002608|0.00000279|0.00000083|-0.00000270|-0.00000762|-0.00001802|-0.00001443|-0.00000057|-0.00001107|-0.00097661|-0.00031659|0.00014564|-0.00185580|0.00084623|0.00020711|0.00002660|0.00004512|0.00011157|0.00043607|-0.00112031|-0.00033129|-0.00007736|0.00067214|0.07141309|-0.00035577|-0.00021483|0.00010170|-0.00028245|0.00011301|-0.00002539|0.00010659|0.00001793|0.00010274|-0.00016233|0.00004673|-0.00001182|0.00002216|-0.00002423|-0.00001164|0.00023236|0.00163693|0.00109517|-0.00020588|-0.00139395|0.00143782|-0.00005944|-0.00001666|0.00197170|0.00182487|-0.00220781|0.00228632|0.00895329|0.00664866|0.02670260|-0.01300961|-0.08247319|-0.07453452|-0.00102990|0.00263737|0.00416424|0.00011330|0.00007882|-0.00000828|0.00013083|0.00024352|0.00004117|0.00008669|0.00003276|-0.00000060|0.00006834|-0.00015877|0.00008218|-0.00001430|-0.00001851|-0.00002809|0.00002235|0.00000116|-0.00000698|-0.00000615|0.00000103|0.00000486|-0.00001965|-0.00000915|-0.00000499|0.00036754|0.00009519|-0.00034778|-0.00006606|-0.00018034|0.00016209|0.00009116|0.00017410|0.00004311|-0.00013418|-0.00001033|0.00077613|0.00002402|0.00024595|0.00044165|0.00758691|0.08234693|0.00005791|-0.00009022|0.00015142|0.00042044|0.00109882|-0.00132990|0.00015515|-0.00041521|0.00013439|-0.00001905|0.00024104|0.00030337|0.00000011|-0.00004348|-0.00008770|-0.00038787|0.00009719|0.00224859|0.00188664|-0.00172835|-0.00087881|-0.00012155|-0.00048856|-0.00127588|-0.00066497|0.00238474|0.00057887|-0.00712154|0.00025259|-0.01110158|-0.03483790|-0.06765317|-0.32060909|-0.00018430|-0.00365804|-0.01625316|0.00003220|-0.00009798|-0.00001235|-0.00004442|0.00003419|-0.00001861|-0.00001353|0.00007044|0.00012943|0.00027275|-0.00048057|0.00021816|0.00012329|0.00007826|-0.00005249|0.00002954|0.00000628|-0.00000432|-0.00000656|-0.00000365|0.00001460|0.00002042|0.00003370|0.00001982|0.00051120|0.00123176|-0.00024752|0.00031911|0.00083596|-0.00016485|-0.00003396|0.00008218|-0.00006594|0.00005548|0.00024329|-0.00059423|-0.00006188|-0.00010240|0.00037833|0.04007396|0.07034597|0.34857158|-0.00052613|-0.00015348|0.00009929|0.00129307|-0.00047074|-0.00026552|-0.00007755|0.00013875|-0.00011178|0.00060698|-0.00204674|0.00075717|-0.00053196|0.00050166|0.00000758|-0.00450708|0.00129528|0.00401465|-0.00019871|-0.00063489|0.00008135|-0.00286049|0.00498781|0.00160950|0.00253776|-0.00006567|0.00313548|0.00854207|0.02818165|-0.00567834|-0.10254917|-0.10251524|-0.00517759|-0.01034932|-0.03044622|-0.00491380|0.00020348|0.00012833|-0.00000332|0.00024718|0.00054829|0.00029528|0.00010169|0.00001488|-0.00010306|-0.00020227|0.00043564|-0.00048306|0.00002407|0.00015485|0.00003328|-0.00020711|-0.00013047|-0.00000633|0.00009451|0.00005470|-0.00001820|0.00004450|0.00000965|-0.00001639|0.00008359|0.00052227|-0.00039250|0.00012164|-0.00009391|0.00008175|0.00078487|0.00049612|-0.00175817|0.00000714|0.00019834|0.00049200|0.00031507|-0.00058526|-0.00000582|-0.00010306|-0.00428467|-0.00046067|0.10710524|-0.00046014|-0.00002478|-0.00002495|0.00017807|-0.00013809|0.00023874|-0.00051215|-0.00006482|-0.00005463|0.00016655|0.00016699|0.00006933|-0.00003978|0.00010806|0.00010607|0.00060932|0.00140994|-0.00026463|0.00032643|-0.00026904|0.00008175|0.00336670|-0.00340779|-0.00387621|-0.00105887|0.00263120|-0.00262011|-0.00465829|-0.02571147|0.00650664|-0.09585179|-0.29469133|-0.01586397|-0.00152297|0.00068561|0.00024705|0.00010630|0.00013748|0.00008231|0.00039435|0.00030830|-0.00005042|0.00011127|0.00003273|-0.00008604|-0.00033525|0.00028538|-0.00011480|-0.00005051|0.00003764|0.00004659|-0.00002893|-0.00001532|0.00000448|0.00002694|0.00000266|-0.00001174|0.00003694|0.00001861|-0.00000206|0.00003041|0.00011537|-0.00005503|-0.00011582|-0.00004235|0.00010278|-0.00007043|-0.00013673|0.00178404|0.00006760|0.00047866|0.00015757|-0.00017274|0.00081816|0.00179701|-0.00430232|-0.00761232|-0.00227479|0.10375909|0.32487726|0.00017412|0.00021414|-0.00011163|-0.00070883|-0.00040297|0.00108736|-0.00006255|0.00020532|-0.00003983|-0.00005035|0.00091383|-0.00014266|0.00022557|-0.00021602|-0.00003314|0.00236845|-0.00053885|-0.00131955|-0.00103044|-0.00028028|0.00074074|-0.00108961|0.00381507|-0.00115894|0.00040678|0.00209534|0.00256022|0.00388574|0.01711638|-0.00229142|-0.00621944|-0.02141305|-0.06578715|0.00701945|0.01956988|0.00335522|-0.00015671|-0.00003142|0.00006225|0.00007020|-0.00034915|-0.00015798|-0.00001377|0.00000053|-0.00000640|-0.00001638|-0.00022482|0.00002329|-0.00005621|-0.00008768|-0.00005699|0.00008465|0.00006123|0.00000890|-0.00004258|-0.00002940|0.00001701|-0.00000782|0.00000696|0.00000914|0.00004650|0.00027653|-0.00000123|0.00009168|0.00009420|0.00008801|0.00011386|0.00035234|-0.00124703|-0.00005959|-0.00005737|-0.00000766|0.00012181|-0.00038638|-0.00012706|-0.01388177|-0.03477936|-0.00005215|0.00878722|0.01407502|0.06458866|
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|
126.4947 138.1010 154.3060 196.8499 222.5596 248.7095 264.3105 331.5835 361.9890 448.0591 454.6156 513.9186 556.6247 609.6859 646.4549 731.1183 755.5007 817.4581 867.7187 930.3426 945.9870 971.8219 984.4527 999.9732 1014.1937 1059.5838 1086.6743 1115.9314 1117.4318 1137.8743 1149.3199 1167.3195 1175.1550 1201.0927 1206.3687 1226.8186 1233.6033 1252.4314 1278.7191 1288.8447 1304.9526 1355.0387 1378.4875 1388.9013 1402.8993 1440.8502 1478.7845 1481.9593 1523.6752 1537.9619 1560.3924 1563.8793 1571.1586 1624.1075 1635.2218 1642.0495 1643.8316 1658.4898 1670.6253 1874.7467 3153.6027 3192.8720 3199.6461 3211.3663 3239.9453 3249.8401 3256.1643 3270.2741 3277.6738 3289.3784 3317.2681 3329.0849 3341.1410 3359.9572 3376.0133
3.0930 2.8481 2.2073 1.1757 2.6841 1.1941 2.1651 2.7324 3.0402 2.6622 3.0343 2.8207 2.8697 3.4202 3.3156 2.8468 3.1218 3.3993 3.1294 2.4287 1.8005 2.6945 2.2313 3.0987 2.1094 1.7631 1.5220 1.6504 1.5756 1.7959 1.6554 1.7835 1.5803 2.1472 1.8774 1.4413 1.5481 1.4222 1.7908 1.5354 1.9972 1.3749 1.6888 1.3917 2.0148 1.6120 1.9380 1.7083 1.9340 2.0488 1.2696 1.7901 2.0640 1.0461 1.0611 1.0552 1.0513 1.1928 1.1453 7.2429 1.0834 1.0380 1.0367 1.0623 1.1014 1.1050 1.1030 1.1030 1.1017 1.0552 1.0911 1.0912 1.0922 1.0949 1.1176
0.0292 0.0320 0.0310 0.0268 0.0783 0.0435 0.0891 0.1770 0.2347 0.3149 0.3695 0.4389 0.5239 0.7491 0.8164 0.8966 1.0499 1.3383 1.3882 1.2385 0.9493 1.4994 1.2741 1.8256 1.2784 1.1662 1.0589 1.2109 1.1591 1.3700 1.2884 1.4319 1.2858 1.8250 1.6098 1.2781 1.3881 1.3143 1.7252 1.5027 2.0038 1.4874 1.8908 1.5817 2.3363 1.9718 2.4969 2.2105 2.6454 2.8552 1.8213 2.5795 3.0020 1.6257 1.6717 1.6763 1.6738 1.9331 1.8833 14.9984 6.3485 6.2348 6.2534 6.4546 6.8120 6.8763 6.8906 6.9505 6.9732 6.7266 7.0741 7.1255 7.1836 7.2826 7.5052
0.8492 0.8238 0.7310 0.0510 0.0991 0.0813 0.4287 0.8405 2.8227 0.2156 0.8351 2.0338 1.6391 0.6585 1.5282 0.2443 9.3060 13.5997 9.6963 11.0434 13.6854 3.4026 5.0699 1.7538 3.2992 1.7210 1.4526 13.6598 6.2297 1.4733 7.2452 7.3519 1.7621 2.2467 9.5421 12.3796 0.9294 2.8934 2.9378 4.9635 0.5256 2.4669 4.8210 1.3232 27.3228 4.9996 6.8198 12.9198 7.9323 3.4683 1.6115 1.7621 3.0049 6.0547 5.5118 1.4507 3.6765 2.2604 1.6907 5.9951 42.1466 47.8512 31.5739 68.7291 30.4358 42.8170 44.0341 45.3103 31.3712 29.1207 19.7151 29.8157 21.6809 25.5427 38.2459
1.2770 0.3169 0.5642 0.0479 0.5398 0.1361 0.8430 1.4295 0.3576 5.6943 3.0581 3.4070 3.3046 4.3152 4.6178 4.1818 2.8875 8.6896 11.2047 10.4398 0.7662 4.0359 6.0810 1.6616 11.3035 6.2789 8.8934 4.9726 3.7949 5.3386 0.5376 6.0205 3.6573 4.7220 9.0354 1.1020 3.9057 0.8682 5.6547 2.0010 3.9301 7.3832 4.2815 3.5928 9.6747 4.5404 3.3224 6.1348 2.8649 10.9771 2.7883 10.8540 5.9620 18.6323 18.8441 17.5223 17.2660 8.5715 6.5571 30.8886 100.6255 128.2331 101.4061 109.3454 86.5096 72.2042 86.6013 40.1006 76.5658 90.2627 77.4121 110.9142 75.9111 114.1833 111.4964
0.6896 0.7486 0.6763 0.6305 0.5397 0.5668 0.7341 0.6928 0.4352 0.2052 0.2711 0.1764 0.7373 0.6483 0.7004 0.2243 0.2976 0.4063 0.3877 0.5974 0.4057 0.7413 0.7352 0.3034 0.2341 0.7470 0.6726 0.6866 0.6134 0.5565 0.6630 0.3007 0.7384 0.4758 0.1255 0.7373 0.5857 0.7277 0.7462 0.2908 0.6957 0.6761 0.6066 0.7227 0.1397 0.5322 0.7190 0.7254 0.5078 0.4587 0.4470 0.1754 0.5244 0.7407 0.7257 0.6792 0.7457 0.6950 0.6827 0.1927 0.3849 0.0325 0.0240 0.0904 0.7495 0.6257 0.7234 0.6436 0.7077 0.1228 0.2973 0.4190 0.1412 0.3022 0.4548
0.8163 0.8562 0.8069 0.7734 0.7011 0.7236 0.8466 0.8185 0.6065 0.3405 0.4265 0.2998 0.8488 0.7866 0.8238 0.3664 0.4586 0.5779 0.5588 0.7480 0.5772 0.8514 0.8474 0.4656 0.3793 0.8551 0.8043 0.8142 0.7604 0.7150 0.7974 0.4624 0.8495 0.6448 0.2231 0.8488 0.7388 0.8424 0.8547 0.4506 0.8206 0.8068 0.7551 0.8391 0.2451 0.6947 0.8365 0.8408 0.6735 0.6289 0.6179 0.2985 0.6880 0.8511 0.8411 0.8090 0.8543 0.8200 0.8114 0.3231 0.5558 0.0630 0.0468 0.1658 0.8568 0.7697 0.8395 0.7832 0.8289 0.2188 0.4584 0.5906 0.2475 0.4641 0.6252
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 6 7 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 12.00000 14.00307 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
1104.84820 2235.95589 2837.88464
0.99968 0.02506 -0.00144 -0.02507 0.99965 -0.00833 0.00123 0.00836 0.99996
1
0.07839 0.03874 0.03052
1.63347 0.80715 0.63595
182.00 198.70 222.01 283.22 320.21 357.84 380.28 477.07 520.82 644.66 654.09 739.41 800.86 877.20 930.10 1051.92 1087.00 1176.14 1248.45 1338.56 1361.06 1398.23 1416.41 1438.74 1459.20 1524.50 1563.48 1605.58 1607.74 1637.15 1653.61 1679.51 1690.79 1728.10 1735.70 1765.12 1774.88 1801.97 1839.79 1854.36 1877.54 1949.60 1983.34 1998.32 2018.46 2073.06 2127.64 2132.21 2192.23 2212.78 2245.06 2250.07 2260.55 2336.73 2352.72 2362.54 2365.11 2386.20 2403.66 2697.34 4537.33 4593.83 4603.58 4620.44 4661.56 4675.80 4684.89 4705.19 4715.84 4732.68 4772.81 4789.81 4807.16 4834.23 4857.33
0.254681
0.264444
0.265388
0.219903
-479.388169
-479.378406
-479.377462
-479.422948
1.525608D-04
MUNgauss
RevisionA2.1
retrievium
27-Jul-2022
GDB_13 Smiles: CC1C=C(C)C2C3C4CN4CC123
RHF
6-31G(d)
(6D,10F)
C1
161.120450
|X|Y|Z|
34.432632 23.945761 14.700036
22.970604
10
|36.858105|
|12.443810|36.858105|
|7.442685|12.561881|36.858105|
|5.333811|8.013402|14.388512|36.858105|
|3.859441|4.962862|7.515330|12.702539|36.858105|
|5.177149|7.759990|8.200637|12.702509|7.267931|36.858105|
|5.793508|7.212802|6.430180|7.518579|5.204677|12.673031|36.858105|
|4.378827|5.000804|4.345978|4.906575|3.888957|7.504233|12.690114|36.858105|
|4.384668|4.545474|3.702349|3.839033|3.096852|5.151701|7.539182|12.953579|36.858105|
|4.276325|4.971663|4.015737|4.297165|3.389192|6.317912|7.860977|13.070048|13.159408|53.358707|
|5.455447|7.082460|5.023071|5.047867|3.707631|7.321410|7.781386|7.998595|7.780568|17.656541|36.858105|
|7.396039|12.482630|8.047316|7.987576|4.981846|12.667750|12.681554|7.961094|6.424087|10.780167|12.525325|36.858105|
|17.539377|8.779064|6.699975|4.686591|3.594443|4.251395|4.459765|3.518403|3.511382|4.711051|4.287073|5.430348|0.500000|
|17.537931|8.769302|5.450599|4.323074|3.260626|4.522419|5.214242|4.340885|4.724196|6.128933|5.789426|6.675440|0.302055|0.500000|
|17.558847|8.766182|6.762028|5.260708|3.921888|5.107669|6.292736|4.621731|4.574354|5.702110|4.893848|6.694137|0.301493|0.301001|0.500000|
|8.932039|17.458088|8.905279|6.305695|4.317603|6.167813|5.408557|4.228239|3.988764|6.168063|6.731942|8.903083|0.214346|0.213681|0.173608|0.500000|
|6.540152|8.366488|17.691462|8.947085|6.643635|5.665418|4.820390|3.522855|3.112780|4.475445|3.972997|5.601367|0.189363|0.134447|0.167395|0.196300|0.500000|
|3.704908|4.548575|7.042413|8.867764|17.575237|5.402397|4.250434|3.270661|2.723012|3.972070|3.222017|4.211769|0.100042|0.086205|0.104162|0.112634|0.203134|0.500000|
|3.556521|4.307365|5.891570|8.890554|17.525163|6.544250|5.252141|3.999929|3.130357|4.532219|3.464494|4.536390|0.091072|0.084722|0.104444|0.102623|0.146767|0.300551|0.500000|
|3.346885|4.311651|5.878548|8.892107|17.523254|6.521960|4.539544|3.633748|2.905047|4.454486|3.556813|4.491023|0.087008|0.081120|0.092319|0.109984|0.145827|0.301054|0.302751|0.500000|
|4.072315|5.646377|5.887605|8.493836|6.459019|17.660956|8.508213|6.974740|4.767024|8.524526|6.674002|8.380982|0.096517|0.103482|0.110713|0.139258|0.124953|0.133545|0.165445|0.184796|0.500000|
|5.977922|6.524909|6.316146|6.990216|5.167386|8.518667|17.693084|8.518241|6.238211|7.747748|5.631281|8.378821|0.129496|0.143098|0.203874|0.133725|0.138384|0.121355|0.152060|0.119185|0.171329|0.500000|
|3.559697|4.024744|3.741115|4.371338|3.730989|6.305702|8.529842|17.684330|8.585339|11.993625|5.806456|5.773604|0.082718|0.097087|0.104825|0.097367|0.086632|0.086697|0.110227|0.099070|0.181132|0.187588|0.500000|
|3.563775|3.619654|3.067499|3.192391|2.689292|4.090700|5.455356|8.584637|17.704207|12.126933|5.678405|4.733460|0.082484|0.106917|0.103457|0.090954|0.073653|0.066448|0.076323|0.071022|0.109640|0.134226|0.206700|0.500000|
|5.282292|5.018295|3.891893|3.825327|3.035559|4.840938|7.114971|8.691974|17.663847|11.923267|7.349527|6.557001|0.113706|0.166737|0.155329|0.120200|0.091684|0.075613|0.084347|0.077690|0.118338|0.178049|0.170713|0.291829|0.500000|
|4.500524|5.987955|4.617439|4.746630|3.613984|6.598668|5.927055|6.085355|5.674205|12.430171|17.565725|8.770711|0.104431|0.129742|0.110965|0.175307|0.103636|0.087378|0.091994|0.100223|0.187445|0.125343|0.138002|0.127768|0.145594|0.500000|
|5.821347|6.644926|4.496506|4.224999|3.199253|5.408255|6.004055|6.138811|7.163158|12.311015|17.536767|8.778092|0.126976|0.192181|0.139339|0.185870|0.103183|0.079852|0.083298|0.084607|0.135478|0.134696|0.129644|0.151890|0.215575|0.302419|0.500000|
479.391925
-2563.088115
950.382736
-69.245588
-1202.559043
722.916191
-479.642852
2.000523
4088FFFFFFFFFFFA
418CF4F82FFFFFF7
41250F4022E8BA28
4102EAB7FFFFFFFF
4026000000000000
4187A7E378000000