Version2.5
2022-04-05T00:09:40Z
10.1021/ja902302h
Gaussian16
RevisionB.01
RPOIRIER
06-Feb-2022
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
GDB_13 Smiles: CC(=C)C12CC(=C)C3C(C=C1)C23
RHF
6-31G(d)
(6D,7F)
CC(=C)C12CC(=C)C3C(C=C1)C23
C1[X(C12H14)]
72
C1
208
CC(=C)C12CC(=C)C3C(C=C1)C23
C=C1CC2(C3C1C3C=C2)C(=C)C
CC(=C)C12CC(=C)C3C(C=C1)C23
InChIKey=XEPOWKVWWQULEV-UHFFFAOYSA-N
InChI=1S/C12H14/c1-7(2)12-5-4-9-10(11(9)12)8(3)6-12/h4-5,9-11H,1,3,6H2,2H3
InChI=1/C12H14/c1-7(2)12-5-4-9-10(11(9)12)8(3)6-12/h4-5,9-11H,1,3,6H2,2H3
CC(=C)C12CC(=C)C3C(C=C1)C23
C01[X(C12H14)]
72
C1
208
CC(=C)C12CC(=C)C3C(C=C1)C23
C[C@H]1C[C@]2([C@H]3[C@@H]1[C@H]3CC2)C(C)C
CC(C)[C@]12CC[C@@H]3[C@H]([C@@H](C)C1)[C@H]23
InChIKey=SWDZXEAHYUBUTN-MJDLHHQISA-N
InChI=1S/C12H20/c1-7(2)12-5-4-9-10(11(9)12)8(3)6-12/h7-11H,4-6H2,1-3H3/t8-,9+,10-,11+,12-/m0/s1
InChI=1/C12H20/c1-7(2)12-5-4-9-10(11(9)12)8(3)6-12/h7-11H,4-6H2,1-3H3/t8-,9+,10-,11+,12-/m0/s1
4.622369766940D+02
-2.463755616946D+03
693.5774604348
-462.4685184
1-A
1839.4042
43
165
208
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
-11.24312 -11.23432 -11.23169 -11.23070 -11.22956 -11.22412 -11.22171 -11.22098 -11.21749 -11.21489 -11.20703 -11.20312 -1.21120 -1.09082 -1.06279 -1.03016 -0.97748 -0.93376 -0.87694 -0.84069 -0.77735 -0.75683 -0.73232 -0.68743 -0.67530 -0.62600 -0.61749 -0.60097 -0.58956 -0.58550 -0.56935 -0.55099 -0.53077 -0.51802 -0.49434 -0.48379 -0.47426 -0.45282 -0.44410 -0.40623 -0.34850 -0.34427 -0.31792
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
0.16902 0.18800 0.19236 0.24054 0.26065 0.27291 0.28599 0.29427 0.29868 0.30741 0.31609 0.32996 0.33113 0.33890 0.34541 0.34910 0.35879 0.36490 0.39010 0.39989 0.43653 0.45265 0.46217 0.46604 0.49792 0.51356 0.53103 0.53992 0.54793 0.60104 0.63350 0.69006 0.73233 0.73782 0.74380 0.76655 0.78817 0.79701 0.81686 0.82082 0.82581 0.84672 0.86733 0.87857 0.88075 0.89760 0.90534 0.91929 0.92609 0.93415 0.95861 0.97471 0.99382 0.99866 1.01607 1.02752 1.06794 1.08805 1.10195 1.10961 1.12093 1.14095 1.14271 1.14991 1.15793 1.16051 1.16480 1.17739 1.18734 1.19143 1.21430 1.22300 1.23788 1.23977 1.24580 1.25849 1.29589 1.30546 1.34721 1.41938 1.43506 1.46050 1.47792 1.51292 1.52631 1.54341 1.58224 1.63631 1.66889 1.70077 1.72343 1.73767 1.77297 1.78839 1.85090 1.90131 1.95698 1.97790 1.99522 2.01446 2.04638 2.08129 2.09178 2.11588 2.12852 2.15326 2.17367 2.20501 2.20835 2.24477 2.27124 2.27740 2.29864 2.30480 2.33886 2.35509 2.40032 2.41925 2.45490 2.46698 2.48440 2.52275 2.53616 2.55239 2.58700 2.59851 2.62810 2.65042 2.69177 2.72176 2.74427 2.76226 2.77614 2.79810 2.80258 2.82295 2.84749 2.93110 2.94427 2.97119 3.00681 3.03460 3.05428 3.07064 3.11579 3.14858 3.17730 3.24701 3.27762 3.34968 3.38958 3.42466 3.44342 4.55132 4.56901 4.61096 4.63155 4.74696 4.77445 4.82103 4.91584 4.97490 5.03379 5.08522 5.24212
13.25020
-0.1669 -0.1092 0.4430
0.4858
|XX|YY|ZZ|XY|XZ|YZ|
-72.5853 -72.0094 -70.4581 2.4856 1.1965 0.0102
|XX|YY|ZZ|XY|XZ|YZ|
-0.9010 -0.3251 1.2262 2.4856 1.1965 0.0102
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-5.1364 5.0473 3.5940 2.1644 0.0243 5.0353 3.5320 1.6234 -4.7874 5.2403
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-1432.0400 -684.7898 -358.2031 -1.8585 4.3177 27.3311 1.1382 5.2351 2.5188 -363.4832 -317.1536 -167.6973 -1.0849 -2.6263 -1.7182
0
|0.66400978|0.02069539|0.57152521|0.00382791|-0.02105238|0.60368867|-0.11423098|0.02475743|0.01317016|0.77840771|0.03314528|-0.20316925|-0.05832096|0.18503318|0.68305999|0.01590596|-0.05576101|-0.11985042|0.07808083|0.21666271|0.32867381|0.01097259|0.00360765|0.00158284|-0.39745847|-0.23577108|-0.10321851|0.86162248|-0.02493612|-0.02455192|-0.01534352|-0.23116334|-0.32889041|-0.12071998|0.12309708|0.73128002|-0.01163899|-0.01600339|0.00211212|-0.09990967|-0.12013982|-0.12216514|0.03356208|0.28523703|0.27246661|-0.00509003|0.00498508|0.00337721|-0.21584545|0.02557523|0.01432999|-0.02814950|0.00234643|0.00083301|0.61568145|0.02982398|-0.00250838|-0.00377023|0.02744607|-0.10964257|-0.01133585|-0.02329523|0.01269803|0.00244335|-0.04870433|0.53722605|0.01697675|-0.00386670|0.00164539|0.01354874|-0.01099613|-0.09805935|-0.01111319|0.00185949|0.00874260|-0.00262834|0.03713483|0.47943452|-0.00047268|0.00089940|-0.00091802|-0.02013973|-0.02804833|0.01231681|-0.00330088|0.00272837|0.00176107|-0.10856265|-0.03252748|0.02068621|0.49641239|0.00032078|0.00170866|-0.00011234|-0.00160243|0.01286172|-0.00368350|0.00427310|-0.00134753|0.00012698|-0.03215998|-0.13955434|0.02227363|-0.05593222|0.58825187|-0.00012484|0.00039141|-0.00058516|0.00120731|-0.00064568|0.00080048|-0.00104749|-0.00007581|-0.00003664|0.01002808|0.01674466|-0.09546371|0.01891333|0.00799229|0.69227886|0.00050687|-0.00043520|-0.00007207|-0.00165482|-0.00381656|0.00009473|-0.00055510|0.00055252|0.00009843|-0.03433772|-0.00326165|0.00558496|-0.20335748|0.02756705|-0.03197212|0.90155497|0.00029744|-0.00051229|-0.00009033|-0.00132687|-0.00643117|0.00244803|-0.00163526|0.00080448|0.00044659|-0.02961899|0.00588089|-0.00414269|0.03316305|-0.10007819|0.01364063|0.13992782|0.38555635|0.00028964|-0.00015499|0.00041329|0.00107106|0.00279164|-0.00264644|0.00071336|-0.00015906|0.00011010|0.00608388|-0.00230918|0.00108063|-0.04205689|0.01434336|-0.10646411|-0.17484616|-0.22431879|0.52439691|-0.00014771|-0.00000689|-0.00015720|0.00010953|-0.00188799|0.00050314|-0.00066029|0.00027969|0.00015500|-0.00425225|0.00299787|-0.00177063|-0.02532539|-0.00816322|0.01499311|-0.51810067|-0.13961288|0.18499224|0.92066235|-0.00002315|-0.00002967|0.00007136|0.00023558|0.00101518|-0.00056552|0.00021666|-0.00008427|-0.00007958|0.00319273|-0.00148576|0.00172073|0.00902906|0.01038603|-0.00384256|-0.13995488|-0.13986758|0.10176671|0.07242379|0.36502893|-0.00008033|0.00000992|-0.00015994|-0.00026122|-0.00104110|0.00084501|-0.00030151|0.00003509|0.00006115|-0.00373774|0.00033296|-0.00161984|-0.00709059|-0.00413523|0.01179907|0.18555241|0.10269186|-0.20327110|-0.09566907|-0.31957960|0.56427878|-0.00016258|-0.00008013|-0.00054657|-0.00078067|-0.00034854|-0.00270914|-0.00026657|0.00012734|0.00016876|-0.02557145|-0.00836730|-0.01343731|-0.00382165|0.01533493|-0.02016084|-0.09332916|-0.00878653|0.00180184|0.00266608|-0.02128580|0.02848763|0.58087326|0.00001139|0.00004957|0.00006347|0.00084849|-0.00079759|0.00094154|0.00003476|0.00020842|-0.00003313|0.00524483|0.00466933|0.00449612|0.00258277|0.00072881|0.01837686|-0.00328357|-0.13155623|0.06607583|-0.00492121|-0.00242524|0.01586354|0.15433797|0.42540384|-0.00019935|-0.00008151|0.00010602|0.00001662|0.00034410|-0.00332157|-0.00083045|0.00018176|0.00016124|-0.02087441|-0.01398215|-0.00182233|-0.01070645|0.01303307|-0.01783045|-0.00729258|0.07536155|-0.20146279|0.00442148|0.01010793|-0.00747651|0.15864171|-0.06892553|0.64929527|0.00001277|-0.00006824|-0.00016286|-0.00048123|0.00120141|-0.00109761|-0.00012982|-0.00016253|0.00038239|-0.01615310|0.02032711|-0.00948561|0.00074511|-0.00181412|-0.00323909|-0.00660560|-0.01099957|0.01153247|0.00237125|0.00082218|-0.00251927|-0.04101025|-0.02388628|-0.02198198|0.34452475|-0.00031788|0.00004936|-0.00032423|-0.00078986|-0.00027115|0.00015062|0.00012610|0.00019804|-0.00014573|0.00318621|-0.01880495|0.00884990|0.00081792|-0.00131260|0.00333215|0.00039784|-0.01670993|0.00176481|0.00193101|0.00075202|-0.00113870|-0.08316591|-0.18307964|0.00081657|-0.11869661|0.65960264|0.00016531|-0.00045785|-0.00031475|0.00031813|-0.00050111|-0.00364314|-0.00060187|0.00011303|0.00045893|-0.00790462|0.02249746|0.00197008|0.00023823|-0.00095717|-0.00619677|-0.00318490|0.02722182|0.01208425|-0.00042891|-0.00038244|-0.00135320|-0.02513198|-0.00027400|-0.07660847|0.13919988|-0.06068711|0.66012236|-0.00031380|0.00007942|0.00039392|0.00086052|0.00117786|0.00049193|0.00014936|-0.00008503|-0.00007307|-0.00494445|0.01767193|0.00042142|-0.00175812|-0.00116480|0.00110452|0.00048453|0.00156237|0.00039461|0.00022923|0.00002224|-0.00073859|-0.00811735|-0.00881976|-0.02537817|-0.09088392|-0.00822432|-0.05360583|0.57809089|0.00199319|0.00037772|-0.00016125|-0.00256456|-0.00412599|-0.00316262|-0.00021356|-0.00024953|-0.00013473|0.02854881|-0.02627782|0.00123447|0.00303049|-0.00190599|-0.00355282|-0.00153751|-0.00012826|0.00135523|-0.00017398|0.00021974|-0.00039797|0.00230667|-0.00836767|-0.02185630|-0.00168150|-0.11286311|-0.04140734|-0.37933778|0.69480364|0.00153977|0.00033675|0.00012250|0.00009519|-0.00402512|-0.00277959|0.00011265|-0.00010953|0.00055900|0.01242009|-0.00707878|0.00930329|0.00030555|-0.00157741|-0.00281715|0.00088589|0.00051072|0.00202392|-0.00049354|0.00081813|-0.00067112|0.00318468|-0.01199308|0.00103108|-0.04241712|-0.04606964|-0.22927643|0.16924360|0.08137392|0.58316869|-0.00653311|-0.00131641|-0.00007271|-0.00565214|0.03104863|0.02243192|-0.00192717|0.00116103|0.00023062|-0.09865826|0.02549428|0.01160402|0.00510782|-0.01310908|-0.00993085|0.00058693|-0.00202471|-0.00147227|0.00001343|-0.00011395|-0.00016453|-0.00212298|0.00390890|-0.00061089|-0.00814491|0.00383046|-0.02556853|-0.35394332|0.23500971|-0.16364490|0.57024792|-0.00081055|0.00099992|-0.00057797|0.00836803|-0.00546325|-0.00266600|-0.00134802|0.00035565|0.00023773|0.02029007|-0.15812636|-0.05826963|-0.00224609|-0.03737879|-0.01512900|-0.00057078|0.00065098|-0.00122218|0.00076439|-0.00038379|-0.00012942|-0.00257192|-0.00144841|-0.00192614|-0.00181281|0.01105376|0.00041755|0.24885820|-0.28479575|0.11577969|-0.28254746|0.55288962|-0.00193363|-0.00018022|0.00107028|0.00397365|0.00060886|0.00145641|-0.00066976|0.00098465|-0.00049168|0.00517411|-0.05115729|-0.13592846|-0.00438095|0.00797806|0.01163384|-0.00065738|0.00089512|-0.00151137|0.00040115|-0.00021442|0.00121547|-0.00543985|0.00323613|-0.00442512|-0.03188501|0.00566228|-0.03487407|-0.15881075|0.10388991|-0.20340460|0.30022519|-0.00905025|0.72488145|0.00040806|-0.00059158|0.00056555|-0.01880896|0.00554414|-0.02976779|-0.00122691|0.00256376|0.00085861|-0.10190881|0.01204637|-0.03001626|0.00593798|-0.00099313|0.00351629|-0.01753919|-0.00874603|0.01377999|0.00089597|0.00001153|0.00059601|-0.23113376|-0.07467568|0.02688900|-0.11245235|0.13704007|0.03854614|0.00100331|0.00338054|-0.00186536|0.00287706|-0.00525372|-0.00793490|0.61437629|0.00007889|-0.00037469|-0.00018078|0.00276849|-0.00160526|0.00473860|-0.00063563|0.00019437|-0.00026420|0.01483788|-0.07780243|0.01582206|0.00392335|-0.00997681|0.03082151|-0.02136941|-0.00442007|0.01664847|0.00180384|-0.00033235|0.00089070|-0.01539008|-0.03200104|0.00651607|0.07090612|-0.15216680|-0.02409346|0.01217094|-0.02153460|-0.02586985|-0.00483699|0.00370738|-0.01685046|-0.08568416|0.36106578|0.00092695|0.00073860|0.00044577|-0.00671824|-0.00027882|0.00975057|0.00399635|0.00023866|-0.00067708|-0.01376349|0.00734595|-0.15008574|0.00257496|0.01373027|-0.02492577|0.02877524|-0.00500586|-0.01361835|-0.00152091|0.00478197|-0.00494213|0.02447268|0.01653595|-0.08973817|0.02295837|-0.03325433|-0.09490372|0.02550085|-0.01651160|-0.01380682|-0.01087958|-0.00613260|-0.03435446|-0.15300217|0.02147101|0.71223632|-0.06740284|-0.03709090|0.03295966|0.00201480|0.00499386|-0.00789043|0.00016724|0.00018226|0.00023887|0.00015560|-0.00005925|-0.00011710|-0.00096646|0.00009139|0.00011011|-0.00010175|0.00004534|-0.00009706|0.00007446|-0.00005422|0.00005521|0.00002092|-0.00000628|0.00003382|0.00002207|-0.00004368|0.00006550|-0.00002529|-0.00011365|-0.00006547|0.00005725|-0.00016747|0.00032158|0.00012833|0.00019195|-0.00014170|0.06766305|-0.03730862|-0.22487472|0.13589336|-0.00849757|-0.02567708|0.01867427|0.00308125|-0.00201203|-0.00210623|-0.00103714|-0.00041038|-0.00047852|-0.00025800|-0.00048168|-0.00043431|0.00032812|0.00039289|0.00034253|-0.00014240|0.00008332|-0.00010449|-0.00001863|-0.00001745|0.00003209|-0.00015465|0.00011804|-0.00006784|-0.00000195|0.00006069|-0.00012821|0.00039539|0.00028816|-0.00027205|-0.00015688|0.00011491|-0.00000537|0.04328091|0.24417374|0.03195035|0.13326806|-0.16317777|-0.00501443|-0.01583124|0.01477564|0.00070691|-0.00160279|-0.00082641|-0.00017487|0.00073684|-0.00026855|0.00099779|0.00084370|0.00059688|-0.00013005|-0.00019591|-0.00033241|0.00006528|-0.00006292|0.00007783|0.00008723|-0.00000822|0.00000618|0.00002819|0.00002500|0.00007637|-0.00012218|0.00005957|-0.00002007|-0.00014918|0.00005602|-0.00005959|-0.00008055|0.00024010|-0.00027361|-0.03665497|-0.14668719|0.17563251|-0.14232391|-0.01952873|-0.12536377|0.00654700|-0.00113464|0.00933909|-0.00034027|0.00115761|0.00000987|0.00000407|-0.00038940|-0.00005399|0.00012529|-0.00017327|0.00031958|-0.00005405|0.00002947|-0.00004072|0.00004523|-0.00000537|0.00001268|-0.00006708|0.00001700|0.00000410|-0.00000602|-0.00002125|0.00017491|-0.00008726|-0.00011099|-0.00015650|0.00033679|0.00002059|0.00004713|-0.00013524|0.00055219|-0.00031774|0.00425454|0.00187618|0.00677092|0.14857878|-0.01947212|-0.06213041|-0.03395835|-0.02182672|-0.00366882|-0.02914355|0.00298270|-0.00427232|-0.00205720|-0.00069313|0.00108030|0.00072627|0.00022274|0.00018434|0.00017394|-0.00003366|0.00014593|-0.00012075|0.00001659|-0.00007056|0.00007751|0.00018838|-0.00009631|0.00018574|0.00004076|0.00003417|0.00015659|-0.00011543|0.00009296|-0.00005150|-0.00011680|-0.00017226|0.00019330|0.00065014|-0.00008140|-0.00049291|0.01731502|0.00562248|0.02483603|0.02141717|0.06606038|-0.12435370|-0.03325986|-0.25242594|-0.00921758|-0.00215789|-0.01126621|0.00226788|-0.00201139|-0.00086783|-0.00096097|-0.00019309|0.00009467|0.00029077|-0.00059793|-0.00009039|0.00011063|0.00011522|0.00006161|-0.00002611|0.00002161|0.00002207|0.00042821|-0.00013933|-0.00000219|0.00010356|0.00015838|0.00030045|-0.00019991|0.00009252|-0.00016973|0.00029629|-0.00003630|0.00001080|0.00006537|0.00039247|-0.00015932|-0.01319731|-0.00269874|-0.01986278|0.14063390|0.03784933|0.27244626|-0.33321421|0.00406893|0.06978410|-0.00832390|-0.00069874|0.00051468|0.00064457|-0.00174778|-0.00129584|0.00130892|0.00098799|0.00113614|0.00031448|-0.00024651|-0.00025178|0.00009218|0.00003871|0.00006060|-0.00008689|0.00001511|-0.00003549|0.00008598|-0.00006750|-0.00006194|0.00005819|0.00001769|0.00009830|-0.00007426|0.00028318|0.00016973|-0.00037914|-0.00014520|-0.00027114|0.00013184|0.00000999|0.00018472|-0.00427433|-0.00081273|0.00134316|-0.01750379|-0.00017473|0.00483033|0.35977701|-0.00042077|-0.05756241|-0.00044364|0.03513288|-0.00048631|-0.00736105|0.00101532|0.00069506|0.00074360|-0.00084355|-0.00532128|-0.00395542|-0.00078939|-0.00086474|-0.00018463|0.00011487|0.00020408|0.00025581|-0.00005420|0.00004934|-0.00005035|0.00003114|-0.00001099|0.00004382|-0.00003446|0.00011108|-0.00006643|0.00009794|-0.00053849|-0.00047235|0.00194907|0.00021002|0.00041302|-0.00031279|0.00005463|-0.00020992|-0.02889080|0.00165068|0.00521552|-0.00447037|-0.00069789|0.00195664|-0.00167304|0.06189720|0.06785243|-0.00150138|-0.07730668|0.01649177|0.00163367|-0.00357595|0.00032357|0.00047766|0.00012558|-0.00060182|-0.00252303|-0.00060634|-0.00007092|-0.00020692|0.00032689|-0.00007832|-0.00009019|-0.00011137|0.00005878|-0.00000964|0.00003707|0.00018983|-0.00000849|0.00000742|0.00006596|0.00008027|0.00012288|-0.00002060|-0.00019641|-0.00025059|0.00079224|-0.00008892|0.00033586|0.00001771|0.00000019|-0.00014196|0.02342338|-0.00108511|-0.00523191|-0.03127826|0.00028401|0.01086145|-0.07627416|0.00369794|0.07513547|0.00026919|0.00183275|0.00097467|-0.02204389|0.00898653|0.00525189|-0.35285857|0.06261551|0.04291418|0.00007512|-0.00394605|-0.00086023|-0.00083328|0.00088186|-0.00034092|-0.00014317|-0.00040283|0.00009968|-0.00017115|0.00003493|-0.00007418|-0.00012380|-0.00006090|-0.00014789|0.00007201|-0.00005967|-0.00006100|0.00004808|0.00011932|0.00012221|0.00027362|-0.00045755|-0.00032789|-0.00031514|-0.00004142|0.00048035|0.00025680|-0.00008289|-0.00018703|0.00050953|0.00001434|-0.00007694|0.00132254|-0.00078149|-0.00059938|0.37619596|-0.00096130|-0.00132209|0.00407420|-0.02442459|0.00946724|0.00239365|0.06951783|-0.08036178|-0.02076049|-0.00129686|-0.00019867|-0.00707769|0.00028524|-0.00005361|0.00011575|-0.00008564|0.00014148|-0.00009478|-0.00001475|-0.00000379|0.00005420|-0.00005115|-0.00006317|-0.00020724|-0.00007447|0.00010580|-0.00019054|-0.00016175|0.00032174|-0.00022501|0.00089819|-0.00014532|-0.00019578|-0.00135040|-0.00005053|0.00081376|-0.00021458|-0.00065779|-0.00037885|0.00015479|0.00057893|0.00027203|-0.00053483|-0.00039680|-0.00057301|-0.06914136|0.07389914|-0.00176140|0.00440969|-0.00719963|-0.01031814|0.00098638|0.00664804|0.04642586|-0.02076398|-0.05485988|-0.00100710|-0.00773496|0.01084961|-0.00220954|0.00123726|-0.00033163|-0.00018601|-0.00081533|0.00053922|-0.00023014|0.00017620|-0.00020330|0.00029362|-0.00008901|0.00045938|-0.00004603|-0.00004035|0.00011042|0.00001300|0.00015193|0.00015812|0.00028048|0.00001322|-0.00021956|0.00212576|-0.00001756|-0.00075943|0.00028283|0.00138282|0.00071828|-0.00020862|-0.00116428|-0.00025622|0.00022310|-0.00055776|0.00009498|-0.04750135|0.02488944|0.04251279|-0.00377915|-0.00171343|0.00004364|0.01194346|-0.02405782|-0.01177670|-0.08463328|0.06150140|0.03136487|0.00090235|-0.00010450|-0.00040265|0.00012118|-0.00000761|0.00004477|0.00004137|-0.00002126|0.00007797|-0.00000091|0.00003313|-0.00001962|0.00017696|-0.00005803|0.00003366|0.00002163|0.00036763|-0.00002341|-0.00043665|0.00016746|-0.00031371|-0.00208404|-0.00053504|0.00049910|-0.00003896|-0.00017772|0.00009183|0.00023537|-0.00067037|-0.00031077|0.00038845|-0.00072964|-0.00051562|0.00046923|-0.00004166|-0.00021191|-0.00222109|0.02780383|0.01360935|0.08015316|-0.00410217|0.00274538|-0.00611706|0.00737654|-0.01541059|-0.01053536|0.05490512|-0.30461297|-0.12738291|0.00148495|-0.00203826|0.00298517|-0.00044986|0.00018341|-0.00021556|-0.00002633|-0.00018046|0.00017680|-0.00008656|0.00009011|-0.00003403|0.00024050|-0.00011005|0.00015949|-0.00011973|-0.00007102|0.00000755|0.00015316|0.00026690|0.00018982|0.00086314|0.00056248|-0.00076476|0.00037067|0.00001238|-0.00008095|-0.00006917|0.00048543|0.00053879|0.00020223|-0.00205544|-0.00070319|0.00015912|0.00035918|0.00027538|0.00049154|-0.00149285|-0.00230549|-0.06182007|0.32051363|-0.00008856|-0.00638839|0.01186377|0.00327947|-0.00927309|0.00119155|0.02778367|-0.12729204|-0.10578715|0.00076640|0.00363987|-0.00696356|0.00085419|-0.00044613|0.00034487|0.00010457|0.00033961|-0.00014694|0.00005577|-0.00001790|0.00005731|-0.00007706|0.00002573|-0.00030095|-0.00017596|0.00018539|-0.00005059|-0.00012512|0.00044229|-0.00063204|0.00116747|-0.00001238|0.00050864|-0.00122990|-0.00026674|0.00049009|0.00003622|-0.00262206|-0.00169144|-0.00034981|0.00180883|0.00061516|-0.00040438|0.00036920|0.00004796|0.00041064|-0.00351065|0.00164429|-0.03285796|0.14290289|0.09898450|-0.00212894|0.00001659|0.00055213|0.00088051|0.00052855|-0.00103075|0.00007978|0.00005198|0.00003171|0.00636355|-0.02069384|-0.01076504|-0.07318705|0.06808365|0.03395811|-0.01358852|0.03155591|0.01707182|-0.00118246|0.00022593|-0.00266365|-0.00130473|-0.00159780|0.00000612|-0.00026437|-0.00067572|-0.00041326|0.00044698|-0.00113146|-0.00036974|-0.00197322|-0.00291834|0.00313355|0.00011815|0.00068242|-0.00087850|-0.00239885|0.00018728|0.00085187|-0.00018763|0.00013404|0.00009802|-0.00002335|-0.00010895|-0.00006345|0.00000667|-0.00002480|0.00013913|0.00007421|0.00007658|0.00003655|0.08635987|0.00103069|-0.00047418|-0.00010342|0.00139853|-0.00001269|-0.00074324|-0.00013903|0.00024637|0.00006911|0.00639986|-0.02357166|-0.01329949|0.06326904|-0.26388529|-0.10552484|0.00311978|-0.00422002|-0.00264177|-0.00051946|0.00062343|0.00067387|0.00131579|0.00055485|0.00042925|-0.00052264|0.00068704|-0.00060410|-0.00048651|-0.00090257|-0.00127964|-0.00294558|-0.00405746|0.00425148|-0.00157927|0.00087153|-0.00013732|0.00076350|0.00117055|-0.00088881|-0.00000415|-0.00004046|0.00056218|0.00038946|0.00073103|-0.00006597|-0.00010432|0.00001824|0.00006568|0.00009494|0.00011824|0.00007781|-0.07093056|0.28567875|0.00131213|-0.00042834|0.00040167|-0.00025105|-0.00117258|0.00045071|-0.00018703|0.00013245|0.00004408|-0.00364249|0.01168222|0.00561201|0.03014984|-0.10476381|-0.11761752|-0.00175721|0.00984587|0.00563788|-0.00022612|0.00019240|0.00088291|-0.00038391|-0.00203786|-0.00001006|0.00092447|-0.00016884|0.00064870|-0.00076474|0.00041797|0.00003337|0.00163560|0.00058377|-0.00016124|0.00049283|-0.00004802|0.00081574|0.00040788|0.00042892|-0.00027855|0.00040145|-0.00004704|-0.00034102|0.00006770|0.00038087|-0.00020339|-0.00005713|0.00001937|-0.00008084|-0.00001119|-0.00000503|0.00003392|-0.03808691|0.11781874|0.11900523|-0.00006034|-0.00010921|0.00017202|0.00109850|0.00005751|0.00012270|-0.00034526|0.00007322|-0.00039370|0.00326633|-0.00007040|0.02111027|-0.06335657|0.00081233|-0.02093204|0.00185274|0.00335001|-0.03391815|0.00113119|0.00097969|0.00034541|-0.00471666|0.00207436|-0.00241252|-0.00057928|-0.00014478|0.00067922|-0.00020801|-0.00011020|-0.00016738|0.00056089|0.00133941|0.00015815|-0.00218223|-0.00406331|0.00070858|0.00001870|0.00012029|0.00005349|0.00000196|-0.00004892|-0.00017141|-0.00008828|0.00004202|-0.00004153|-0.00005840|-0.00004539|-0.00001291|0.00000756|-0.00003171|0.00000776|0.00147678|-0.00183483|0.01003442|0.06085216|-0.00003511|-0.00004969|-0.00024265|0.00085131|-0.00022607|-0.00030200|-0.00046920|0.00017196|-0.00019688|0.00470593|-0.00076946|0.02420540|0.00073019|-0.06304134|0.02831636|0.00092695|-0.00217451|0.00834828|-0.00097073|0.00030218|-0.00016904|0.00047634|0.00054838|0.00191442|-0.00019137|-0.00043253|0.00096074|0.00023787|0.00030843|0.00010099|0.00036223|0.00093501|0.00092326|-0.00173212|-0.00343514|0.00309589|-0.00009229|0.00000512|-0.00006301|0.00005696|-0.00007673|0.00023976|0.00008720|0.00011383|0.00011803|-0.00006915|-0.00006327|-0.00000811|0.00001181|-0.00000650|-0.00000592|-0.00310522|0.00625863|-0.03268760|-0.00247404|0.06373984|0.00027134|0.00010868|-0.00026168|-0.00023953|0.00046668|-0.00015688|0.00050649|-0.00008173|0.00018274|-0.00173378|-0.00080950|-0.00758124|-0.02329896|0.03185860|-0.34106571|0.00214649|0.00056857|-0.00582393|0.00036378|0.00033430|0.00059672|0.00037215|0.00028611|-0.00044178|-0.00024982|0.00066551|-0.00083943|-0.00051187|0.00012266|-0.00003746|0.00027008|-0.00162306|0.00078145|-0.00027368|0.00084361|0.00016491|0.00001077|-0.00011052|-0.00018757|-0.00004050|-0.00001739|0.00027282|0.00009466|0.00002328|0.00004315|0.00008430|0.00002471|0.00004927|-0.00001711|0.00004963|-0.00004973|-0.00123202|0.00116573|-0.01498408|0.02448643|-0.03495387|0.36812135|0.00000074|-0.00002264|0.00003059|0.00002319|0.00007988|-0.00007457|0.00001388|0.00000369|-0.00001202|0.00027601|0.00010203|0.00000719|0.00140396|-0.00004940|0.00053480|0.00594283|-0.02058899|0.02764680|-0.07015185|0.00369810|-0.00483621|-0.00408345|-0.00045638|-0.00004618|-0.00007955|-0.00006118|0.00021085|0.00011171|0.00005592|0.00011141|-0.00001295|-0.00002244|-0.00010818|-0.00014473|-0.00046362|0.00128282|-0.00001299|0.00002489|-0.00001154|0.00000032|-0.00001212|-0.00000724|0.00000200|0.00001233|-0.00000613|0.00000176|-0.00000405|0.00002381|0.00000628|0.00000747|0.00000329|-0.00012469|0.00005167|0.00007075|-0.00024735|-0.00006655|-0.00037024|0.06317528|0.00003675|-0.00004124|0.00002930|0.00006760|-0.00020098|0.00003625|-0.00007474|0.00004696|-0.00000355|-0.00045004|0.00041673|-0.00052076|0.00065025|-0.00593790|-0.00345848|0.00216942|-0.00107747|0.00969315|-0.00018042|-0.15836758|0.15928385|-0.00328997|0.00888504|0.00613258|0.00086804|0.00090126|-0.00195686|-0.00010645|-0.00016985|-0.00011134|-0.00008830|0.00002802|-0.00006458|0.00046837|0.00032983|0.00201758|-0.00000123|0.00003705|-0.00002870|-0.00000122|-0.00001895|-0.00000894|-0.00000558|0.00002142|-0.00001361|-0.00002555|-0.00000422|-0.00000827|0.00000350|-0.00001168|0.00001809|0.00123444|-0.00033373|0.00007198|-0.00099479|0.00052801|-0.00087849|0.00066153|0.15739991|0.00004630|-0.00000246|-0.00000854|-0.00004327|-0.00016643|0.00013475|0.00000019|-0.00000070|0.00001863|-0.00038547|0.00041660|-0.00037719|-0.00102765|-0.00534227|-0.00205964|-0.00182162|0.01041023|-0.00815210|-0.00043079|0.15918828|-0.25818163|0.00117439|0.00550983|0.00618151|0.00050892|0.00071326|-0.00150831|-0.00019310|-0.00021714|-0.00031604|-0.00000492|0.00005171|0.00009942|0.00027526|0.00026314|0.00061316|0.00000322|0.00001784|-0.00000422|-0.00000692|0.00001244|0.00000972|0.00001750|0.00000567|-0.00001202|0.00000705|0.00000433|-0.00003226|-0.00001375|-0.00001455|0.00000220|0.00147659|-0.00027362|0.00015822|0.00028774|0.00011903|0.00012421|-0.00092810|-0.17703366|0.26824835|-0.00003396|-0.00000548|-0.00006253|0.00002156|-0.00058588|0.00026146|-0.00020061|0.00008301|0.00006001|-0.00112827|0.00104298|-0.00041506|-0.00052080|-0.00315289|0.00325179|-0.02421995|0.01065117|-0.01441147|-0.30888383|0.07240236|-0.09988279|0.00179113|0.00066153|-0.00088818|-0.00027417|-0.00037742|0.00025871|0.00002501|-0.00009473|-0.00007442|-0.00001957|0.00016796|0.00019964|0.00013928|-0.00008623|-0.00021277|0.00003318|-0.00004965|0.00001768|0.00001736|0.00000702|-0.00000707|-0.00003597|-0.00001666|0.00001938|-0.00005707|0.00000402|-0.00008552|0.00000094|-0.00002917|0.00002055|-0.00037041|0.00022191|0.00006206|0.00021540|-0.00000745|-0.00019783|0.00439336|-0.00067205|0.00094823|0.32915456|-0.00002899|0.00005355|-0.00001279|-0.00004924|0.00027121|-0.00007156|0.00007237|-0.00005331|-0.00003477|0.00085608|-0.00044495|0.00057066|-0.00071325|0.00946226|0.00659429|-0.01195711|0.00925591|-0.00435015|0.07565185|-0.07441887|0.04565853|0.00070200|-0.00535723|-0.00429985|-0.00038862|-0.00090580|0.00093037|0.00010496|0.00002803|0.00020911|0.00009350|-0.00000784|-0.00006981|-0.00005387|-0.00017378|-0.00085090|0.00000876|-0.00006968|0.00004301|0.00000297|0.00000858|-0.00002504|-0.00000515|-0.00004348|0.00001332|0.00002877|-0.00001001|0.00002197|-0.00000822|-0.00000619|-0.00002119|-0.00252295|0.00034278|-0.00047425|0.00053292|-0.00043468|0.00023173|0.01753800|-0.00155717|0.00650352|-0.07972477|0.06356000|-0.00002074|0.00005577|0.00000573|0.00003092|0.00050340|-0.00013835|0.00014222|-0.00006785|-0.00003825|0.00164877|-0.00065622|0.00091421|0.00168696|0.00822944|0.00278684|0.01584750|-0.00383916|0.01102348|-0.10473740|0.04509730|-0.10347566|0.00095526|-0.00466326|-0.00200264|-0.00010930|-0.00059862|0.00088677|0.00005763|0.00010020|0.00028059|0.00003345|-0.00007091|-0.00017305|-0.00043468|-0.00022526|-0.00047696|0.00000268|-0.00004035|0.00002394|-0.00000074|-0.00000391|-0.00002058|-0.00000325|-0.00002955|0.00000567|0.00004164|-0.00000134|0.00005187|-0.00000228|0.00000930|-0.00002544|-0.00159818|0.00015524|-0.00035117|0.00069531|-0.00027531|0.00058015|-0.02382455|0.00633983|-0.00556642|0.11005019|-0.04994875|0.09623029|-0.00009370|-0.00011549|-0.00003363|0.00019306|-0.00030081|-0.00131758|-0.00040079|0.00024881|0.00007095|-0.00380718|-0.00344779|0.00154476|-0.00076788|-0.00116809|0.00029636|0.00572574|0.00372494|0.00533948|0.00034828|-0.00026434|0.00044820|-0.16964125|-0.04230561|-0.14549475|0.00083498|0.00018518|0.00637272|0.00092111|0.00127961|0.00004400|-0.00034433|0.00083731|-0.00071795|-0.01034152|-0.00521522|-0.02729784|0.00000576|0.00004000|-0.00001963|0.00001237|0.00000431|0.00001634|-0.00002919|0.00003432|0.00002176|-0.00009598|-0.00012343|0.00015642|-0.00000314|0.00003652|-0.00009478|0.00005234|0.00015838|0.00001909|0.00023611|0.00027502|-0.00022835|0.00002061|0.00003600|-0.00019388|-0.00013611|-0.00009516|-0.00028401|0.17498845|0.00000511|-0.00000108|0.00005631|0.00010900|0.00020658|0.00074251|0.00018823|-0.00014247|-0.00014094|0.00162876|-0.00115888|0.00105306|0.00036718|-0.00132901|0.00283955|0.01317919|0.00514347|0.01434774|0.00104070|0.00010197|-0.00083732|-0.04114147|-0.05900368|-0.04020891|-0.02049425|-0.00513303|-0.02683475|-0.00491838|-0.00238077|0.00324938|-0.00033446|-0.00118690|-0.00192210|0.00123228|-0.00297772|0.00703158|-0.00002314|0.00006546|-0.00001825|-0.00000028|-0.00001834|-0.00001247|-0.00000289|0.00003568|-0.00002261|0.00001203|0.00010391|0.00001534|0.00007693|0.00008724|0.00005317|0.00041052|-0.00014298|0.00010664|0.00088933|-0.00059003|0.00042036|-0.00001360|-0.00054597|-0.00037150|-0.00028166|0.00057307|0.00007832|0.04569936|0.06520266|-0.00002792|0.00004571|-0.00006505|0.00000297|-0.00004403|0.00057889|0.00007263|-0.00005281|-0.00000413|0.00222310|0.00165581|-0.00023715|0.00129293|0.00138985|-0.00300173|-0.01661129|-0.00759086|-0.01324443|-0.00034536|0.00083854|0.00089559|-0.15031728|-0.03983231|-0.25306214|-0.00239850|0.00102547|-0.00481199|-0.00086567|-0.00088795|0.00037132|0.00028500|-0.00052524|0.00046040|0.00595362|0.00215931|0.01230077|0.00002119|-0.00004141|0.00001779|-0.00000056|0.00000311|0.00001776|-0.00000751|-0.00001113|0.00001861|0.00000529|0.00005622|-0.00006473|0.00002171|0.00001588|0.00003602|-0.00019624|0.00009652|-0.00002698|-0.00101354|0.00034247|-0.00006043|0.00038449|0.00073553|0.00062446|0.00097552|-0.00070168|-0.00053536|0.16103592|0.04183090|0.25787265|-0.00010780|-0.00010981|0.00003458|0.00049010|0.00028121|-0.00081386|-0.00031289|0.00003362|0.00016371|-0.00103930|0.00560982|0.00020567|-0.00137179|0.00025538|-0.00051319|0.00063635|-0.00357221|-0.00361465|0.00010711|-0.00035716|0.00092946|0.00700098|-0.01599226|0.02110185|-0.07507029|0.06469166|-0.06798058|-0.00246261|0.00308059|-0.00224701|0.00007001|0.00068882|-0.00036026|-0.00468001|0.01198918|-0.02473295|0.00001474|-0.00000892|-0.00001570|0.00003922|-0.00001037|-0.00003063|-0.00004980|0.00003574|0.00000714|-0.00006525|-0.00009463|0.00008081|-0.00001706|0.00000940|-0.00012109|0.00001236|0.00007758|-0.00005605|0.00052919|0.00034724|-0.00014386|-0.00018200|0.00028174|0.00034911|-0.00006289|-0.00023943|-0.00022897|-0.00022794|0.00319368|0.00060115|0.07588882|-0.00003643|0.00001143|-0.00004077|-0.00024242|0.00005899|0.00023498|0.00010502|-0.00008716|-0.00001559|-0.00034746|-0.00178814|-0.00200358|-0.00025294|0.00033522|0.00177667|0.00156587|-0.00184163|-0.00381583|-0.00002758|-0.00025510|0.00063853|0.00864363|-0.01627873|0.01576528|0.06473368|-0.18785110|0.13727793|-0.00513146|0.01565682|-0.00892802|-0.00071272|-0.00131867|-0.00293404|-0.00017293|-0.00872037|0.00841192|-0.00000998|0.00003070|0.00000923|-0.00002529|0.00004330|0.00005993|0.00003234|0.00001612|0.00001897|0.00001717|0.00005564|0.00001048|0.00003594|0.00006480|0.00002818|0.00000233|0.00024170|-0.00022126|0.00008231|-0.00026301|0.00034679|-0.00009433|0.00015979|0.00022507|-0.00007482|-0.00016088|-0.00015355|-0.00147423|0.00197333|0.00068087|-0.06669721|0.19825171|-0.00010057|0.00000929|-0.00004498|-0.00011237|0.00007771|0.00041860|0.00001403|-0.00011914|0.00000927|0.00095344|-0.00283996|-0.00160467|0.00002317|0.00012148|0.00108885|0.00068808|0.00035068|0.00017830|-0.00012714|0.00011262|-0.00011216|-0.00036850|-0.00150986|-0.00140157|-0.07127997|0.13915997|-0.22140808|-0.00751384|0.02308678|-0.01161503|-0.00106937|-0.00262206|-0.00591932|0.00239254|-0.00852371|0.01144208|0.00000476|0.00002329|0.00001110|0.00000343|0.00002904|0.00003075|-0.00001662|0.00003230|0.00001919|-0.00002779|0.00008711|0.00001954|0.00006385|0.00013024|0.00000582|0.00012168|0.00027826|-0.00001229|-0.00005730|-0.00026500|0.00027061|0.00004344|-0.00006030|-0.00004577|0.00006771|0.00004752|0.00002463|-0.00028058|-0.00056449|0.00141858|0.07795213|-0.14830958|0.22568348|-0.00002360|-0.00009971|-0.00001165|0.00042671|-0.00034096|-0.00011636|-0.00018218|-0.00015663|-0.00003183|0.00428330|0.00561931|-0.00610819|-0.00091067|0.00202262|0.00163374|-0.00024294|0.00010630|-0.00026047|0.00006330|-0.00009674|0.00024257|-0.00018378|-0.00021232|0.00010837|0.00873257|-0.00964564|-0.00355633|-0.11625776|0.11427484|0.05049559|-0.00144823|0.01959806|0.01350226|-0.00033094|0.00087185|-0.00277398|0.00004174|-0.00004344|0.00001359|0.00003362|0.00002206|0.00002548|-0.00003315|-0.00000708|0.00002579|-0.00005871|0.00001597|0.00000299|-0.00005392|0.00010314|-0.00000721|0.00060600|0.00069586|-0.00025063|-0.00006473|-0.00009987|0.00008362|-0.00004306|-0.00001166|0.00001801|0.00002515|-0.00002410|-0.00003048|0.00005946|-0.00017938|-0.00006365|0.00007624|0.00052843|0.00042194|0.10837997|0.00064321|0.00011589|0.00002144|-0.00039009|-0.00192286|-0.00098058|-0.00002540|-0.00018796|-0.00003186|0.00826021|0.00331126|-0.00183019|-0.00050862|0.00151819|0.00091612|0.00011230|0.00008324|-0.00033636|-0.00016679|0.00003577|0.00030450|-0.00036188|-0.00041463|-0.00003568|0.00431148|-0.00176135|0.00019483|0.11496003|-0.25654175|-0.11345307|0.00513840|-0.00749943|-0.01262656|0.00020341|0.00176788|-0.00036390|0.00000701|-0.00005873|0.00002768|-0.00002250|0.00004324|0.00002198|0.00007072|-0.00019811|-0.00005807|0.00003789|0.00004957|0.00001132|-0.00005810|0.00010026|0.00000216|0.00025550|0.00034124|-0.00012800|-0.00009633|-0.00013913|0.00013475|-0.00003906|-0.00003337|0.00002784|-0.00004761|-0.00005193|-0.00005437|-0.00000509|-0.00018375|-0.00004916|-0.00028819|-0.00002710|-0.00083429|-0.12884717|0.26385859|-0.00049042|-0.00007861|-0.00007789|0.00012638|0.00129664|0.00107490|0.00014204|0.00007302|-0.00002898|-0.00648968|-0.00079402|-0.00044884|0.00025948|-0.00094725|-0.00036098|-0.00031306|0.00043795|-0.00031683|0.00007569|-0.00019483|0.00028743|0.00065640|-0.00045219|-0.00100750|0.01399109|-0.01961502|-0.00213131|0.05224934|-0.11796742|-0.12749445|-0.00721776|0.01371003|0.01453828|-0.00053959|-0.00284137|-0.00444378|0.00000489|0.00004456|0.00001099|0.00001717|0.00003383|0.00006387|-0.00002135|0.00015015|0.00006727|-0.00000222|0.00000427|-0.00002998|0.00006077|-0.00007440|0.00004352|-0.00015692|-0.00012256|0.00010029|0.00004479|-0.00000862|0.00000202|-0.00005951|-0.00006757|0.00002283|-0.00001738|0.00000428|-0.00002009|0.00017037|-0.00037987|-0.00012032|-0.00027329|0.00117359|0.00048232|-0.05506797|0.12686782|0.12050465|0.00005090|0.00014438|-0.00013240|0.00080666|-0.00055338|-0.00030546|-0.00069291|-0.00032286|0.00026778|0.00543499|-0.00059555|0.00680330|-0.00029978|0.00031533|0.00009740|0.00006658|-0.00018010|-0.00005663|-0.00003239|-0.00000673|0.00009672|0.00099602|0.00079081|0.00191213|0.00218143|0.01016550|-0.00373115|-0.00179985|-0.00527512|-0.02550989|-0.09577804|-0.00061638|-0.11159235|0.00104297|0.00045193|0.00189674|0.00000884|-0.00004935|0.00001675|-0.00000697|-0.00007966|-0.00006968|-0.00001998|-0.00006032|-0.00001873|0.00005007|-0.00010023|-0.00001845|-0.00126644|0.00026180|0.00101677|0.00005738|0.00008942|0.00003718|0.00010266|-0.00029085|-0.00002700|-0.00002263|-0.00005767|0.00000947|0.00000553|-0.00000357|-0.00000037|0.00014231|0.00060314|0.00012815|-0.00032727|-0.00122174|-0.00193377|-0.00304196|-0.00305538|0.00285798|0.09202077|0.00016962|-0.00008575|0.00016562|-0.00119712|0.00018000|0.00020364|0.00032530|0.00017327|0.00024865|-0.01029103|0.00398781|-0.02122906|0.00053158|0.00145144|-0.00060239|0.00022218|-0.00019261|0.00020296|-0.00009815|0.00005634|-0.00002239|0.00139107|-0.00002003|0.00104551|0.00738242|0.00357999|-0.00080452|0.00685004|0.01028954|0.01885461|-0.00147507|-0.06775220|-0.03239863|0.00171124|-0.00498587|-0.00240498|0.00002972|-0.00006694|-0.00001635|-0.00001942|0.00009467|0.00007104|0.00006788|-0.00005462|-0.00000828|0.00008195|0.00004994|0.00007509|-0.00013744|0.00041290|0.00001350|0.00011268|-0.00009266|0.00048674|-0.00024303|-0.00047527|0.00055704|-0.00001445|-0.00004430|-0.00001319|-0.00002153|0.00000637|0.00001850|-0.00031842|0.00091480|0.00024474|-0.00008369|0.00021938|0.00024135|-0.00345110|-0.00181883|0.00096291|-0.00058147|0.05368899|0.00039119|0.00001933|-0.00006432|-0.00117750|-0.00013355|0.00016019|0.00024134|-0.00065810|0.00029042|-0.00688305|0.00451863|-0.00797475|0.00041379|-0.00012733|-0.00056731|0.00001223|0.00030668|-0.00014717|-0.00002041|-0.00007031|0.00014438|-0.00064552|-0.00053644|-0.00143367|-0.00251737|-0.00252625|0.00046710|-0.00047706|-0.00536710|-0.00330253|-0.11692576|-0.03175600|-0.33297591|-0.00048569|-0.00044444|-0.00148899|-0.00001791|0.00010731|0.00003289|-0.00004600|0.00016293|0.00015320|0.00007796|-0.00006413|-0.00001623|-0.00000519|0.00039771|0.00027404|0.00049760|0.00071094|-0.00015875|-0.00016096|-0.00032513|0.00023605|-0.00021560|-0.00027655|0.00056167|-0.00002798|-0.00004429|0.00003100|0.00000745|0.00000479|-0.00000883|-0.00030530|-0.00051785|0.00010338|-0.00039664|-0.00003041|0.00019951|0.00149300|0.00216736|-0.00059308|0.12768728|0.03472994|0.34673639|-0.00011157|0.00020682|0.00006442|0.00159694|-0.00010855|0.00047361|-0.00000844|-0.00023303|0.00018319|0.01169673|-0.00370699|-0.01245582|-0.00121535|-0.00022166|-0.00149613|-0.00366101|0.00306370|-0.00018096|0.00027837|-0.00118069|0.00130849|-0.00717417|0.00583079|0.02375690|-0.00744189|-0.00053336|0.00586448|-0.00105807|-0.00118528|-0.00140530|-0.00111033|0.00109092|-0.00254550|-0.12582048|0.01672478|0.12838944|0.00000913|-0.00004114|-0.00003231|-0.00018231|0.00029803|-0.00033263|-0.00007069|0.00003989|-0.00002454|-0.00003586|0.00002435|-0.00007196|-0.00000751|-0.00000712|-0.00001148|0.00019963|-0.00001006|0.00005904|0.00055694|0.00053493|-0.00012557|-0.00026670|-0.00051794|-0.00007251|0.00012114|0.00022226|0.00008241|0.00234843|-0.00124591|-0.00115617|0.00111179|0.00077482|0.00013763|0.00014755|-0.00008797|-0.00000725|0.00032112|-0.00094374|-0.00051390|0.12977658|0.00020150|0.00005107|0.00047760|-0.00031831|0.00088114|-0.00019498|0.00005866|-0.00021897|-0.00002205|-0.00610053|0.00063389|0.00473810|-0.00050447|0.00007587|0.00163389|-0.00385159|0.00113072|0.00141051|0.00011749|-0.00101981|0.00112455|-0.00023646|-0.00000016|0.01945408|0.01050868|0.00416983|-0.03049234|0.00460667|-0.00164407|-0.00005058|-0.00053139|-0.00194458|-0.00033512|0.01608003|-0.04747981|-0.02048370|-0.00007309|0.00002726|-0.00011729|0.00041974|-0.00058940|0.00003108|-0.00011365|0.00002579|-0.00014779|0.00001859|0.00003226|0.00005828|0.00004434|-0.00000634|-0.00005024|0.00015125|-0.00015071|0.00001468|-0.00008644|-0.00073405|0.00026581|-0.00032668|-0.00040961|-0.00003326|-0.00001399|0.00013407|0.00004110|0.00227390|0.00038644|-0.00138434|-0.00312176|0.00147293|0.00186075|-0.00064263|-0.00038623|-0.00121531|0.00022800|0.00048363|-0.00024775|-0.01878785|0.04507885|-0.00063560|-0.00017609|-0.00033244|0.00184979|-0.00064423|0.00064349|-0.00062429|-0.00027442|0.00044067|0.01294976|-0.00396493|-0.01060532|-0.00100511|-0.00026071|-0.00224193|-0.00097840|0.00049798|-0.00030025|0.00009834|-0.00020835|0.00026581|-0.00169642|-0.00090842|0.00509980|-0.00012981|0.00197926|0.00067194|-0.00047033|-0.00050679|-0.00045823|-0.00154110|0.00098834|-0.00249388|0.12955591|-0.02118140|-0.31346312|0.00019938|-0.00006459|0.00023449|0.00012992|0.00052400|0.00050165|0.00004077|0.00011853|0.00020699|-0.00012276|0.00000865|-0.00009242|0.00006755|0.00008140|-0.00006302|0.00013833|0.00036603|0.00000637|0.00042977|0.00076991|-0.00026117|-0.00003777|-0.00009877|-0.00000434|0.00005463|0.00002765|0.00001863|0.00073188|0.00000619|0.00051822|0.00010311|-0.00020579|0.00086123|0.00021180|0.00008429|-0.00012434|0.00056821|-0.00062204|-0.00065868|-0.13988758|0.02366430|0.32162987|
158.10955
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
61.1979 108.5841 180.9045 199.1780 231.5253 284.0748 372.9079 387.5634 420.4270 447.7591 500.7552 572.6164 606.7905 641.0536 670.4930 688.5789 794.0025 801.8523 807.8959 852.6054 866.2780 880.7365 891.9503 959.2092 985.5567 1018.2623 1037.6717 1048.6179 1058.4374 1064.0080 1097.2584 1107.1906 1114.2566 1139.4954 1162.1578 1173.9428 1198.6210 1216.9932 1220.8997 1223.7640 1248.3531 1344.5966 1376.7500 1404.8923 1422.1527 1444.8101 1464.4756 1520.0001 1528.9253 1565.6722 1591.3286 1591.6686 1626.6711 1634.9315 1645.6567 1837.7715 1873.1132 1894.5218 3200.7326 3217.1366 3250.7006 3262.7716 3284.3364 3324.1228 3337.4134 3338.7966 3347.2188 3367.1107 3373.4833 3397.9113 3400.1406 3415.8787
3.0364 3.1042 3.1793 2.1811 1.3132 2.6368 2.3515 3.1100 2.8762 3.3823 2.3888 2.8853 2.9272 2.4747 3.3142 3.5712 1.1661 1.5815 2.5120 1.6562 2.5368 2.6790 1.6035 2.9542 2.1254 1.7865 1.3805 1.9967 1.4628 1.5116 1.5771 1.5861 1.5540 1.8293 2.2693 1.6797 2.6554 1.3956 1.7221 1.3349 1.3136 1.4348 1.9538 1.7473 2.0447 1.8272 1.7643 1.8645 2.8320 1.2984 1.2294 1.2203 1.0932 1.0636 1.0538 6.4243 4.8614 5.7451 1.0405 1.0606 1.1003 1.1035 1.1013 1.0627 1.0644 1.0899 1.0904 1.0951 1.0874 1.1170 1.1061 1.1143
0.0067 0.0216 0.0613 0.0510 0.0415 0.1254 0.1927 0.2752 0.2995 0.3995 0.3529 0.5574 0.6350 0.5992 0.8779 0.9976 0.4332 0.5991 0.9660 0.7093 1.1216 1.2244 0.7516 1.6014 1.2164 1.0914 0.8758 1.2936 0.9655 1.0082 1.1187 1.1456 1.1368 1.3994 1.8058 1.3638 2.2478 1.2178 1.5124 1.1779 1.2061 1.5284 2.1819 2.0319 2.4365 2.2473 2.2294 2.5380 3.9005 1.8752 1.8343 1.8215 1.7044 1.6750 1.6815 12.7837 10.0494 12.1491 6.2805 6.4675 6.8502 6.9212 6.9994 6.9182 6.9849 7.1585 7.1977 7.3153 7.2912 7.5985 7.5342 7.6606
0.0302 0.0542 0.0339 0.1687 0.0699 0.5757 0.0103 0.5031 2.3055 0.3127 3.3030 3.1551 1.1263 2.3809 1.3849 2.5587 1.3680 2.9939 2.8191 31.3827 6.6711 5.3396 3.8807 12.5995 3.3487 8.7080 35.7139 12.4652 19.1892 26.0255 3.1377 4.8743 2.0910 1.1796 7.8955 6.5531 1.2242 2.7591 5.2241 1.3368 1.3325 3.1439 1.6204 2.8901 2.5109 0.1426 3.0321 7.9531 1.7428 2.6616 0.7138 1.7901 5.2832 3.5658 9.3678 3.1276 14.1223 27.1422 17.3549 39.0783 40.4271 23.0674 34.3584 14.8759 16.8839 9.8669 27.1928 26.3712 14.5370 19.2563 18.4641 22.7919
3.9908 5.9616 1.5117 3.7788 1.7933 3.7332 4.7211 2.7263 1.6387 5.6140 3.1849 4.8292 10.1387 4.4087 9.4056 1.3195 7.7586 4.8004 0.8647 6.8183 7.9818 13.0869 6.3420 3.7349 7.7504 1.9514 3.6037 3.4502 1.4957 2.5038 2.4883 4.8407 14.2035 5.1259 4.2783 2.1593 9.6713 3.5384 4.4403 4.2356 13.1185 5.7374 3.0000 1.5482 1.5223 3.0750 5.5115 2.6036 7.4804 9.1811 56.1291 22.9195 15.8966 7.1415 7.8828 32.2406 37.3266 73.0714 62.3796 122.8446 58.4816 59.6228 68.4471 97.4131 134.3295 62.3937 138.7698 129.0750 67.1407 84.7267 145.5232 69.3185
0.7499 0.7302 0.7365 0.7061 0.7475 0.7367 0.5942 0.2182 0.6436 0.6421 0.7500 0.7425 0.0252 0.7267 0.4843 0.6323 0.7471 0.3881 0.4120 0.3716 0.5880 0.1417 0.2855 0.5729 0.2536 0.6408 0.7499 0.6526 0.3458 0.4032 0.2771 0.6423 0.5854 0.6922 0.4395 0.5974 0.7351 0.6999 0.6317 0.7500 0.3899 0.7262 0.4509 0.4679 0.2593 0.5168 0.6113 0.7032 0.2748 0.7162 0.3583 0.6245 0.7278 0.7202 0.6728 0.1277 0.2792 0.2963 0.0283 0.0671 0.6697 0.7495 0.6790 0.1282 0.1903 0.7447 0.3744 0.1592 0.6862 0.7470 0.1127 0.7374
0.8571 0.8441 0.8482 0.8277 0.8555 0.8484 0.7455 0.3582 0.7832 0.7820 0.8571 0.8522 0.0491 0.8417 0.6526 0.7748 0.8553 0.5592 0.5836 0.5419 0.7406 0.2482 0.4442 0.7285 0.4045 0.7810 0.8571 0.7898 0.5139 0.5747 0.4340 0.7822 0.7385 0.8181 0.6106 0.7480 0.8473 0.8234 0.7743 0.8571 0.5610 0.8414 0.6215 0.6375 0.4119 0.6815 0.7588 0.8257 0.4312 0.8346 0.5275 0.7689 0.8424 0.8374 0.8044 0.2265 0.4365 0.4571 0.0551 0.1258 0.8022 0.8568 0.8088 0.2272 0.3198 0.8537 0.5448 0.2747 0.8139 0.8552 0.2025 0.8488
298.150
1.00000
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26
6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783
1104.33944 2113.38823 2506.59160
0.99993 0.01046 -0.00516 -0.01050 0.99991 -0.00815 0.00507 0.00821 0.99995
1
0.07843 0.04098 0.03455
1.63423 0.85396 0.72000
88.05 156.23 260.28 286.57 333.11 408.72 536.53 557.62 604.90 644.23 720.47 823.87 873.04 922.33 964.69 990.71 1142.39 1153.69 1162.38 1226.71 1246.38 1267.18 1283.32 1380.09 1418.00 1465.05 1492.98 1508.73 1522.86 1530.87 1578.71 1593.00 1603.17 1639.48 1672.09 1689.04 1724.55 1750.98 1756.60 1760.72 1796.10 1934.57 1980.84 2021.33 2046.16 2078.76 2107.05 2186.94 2199.78 2252.65 2289.57 2290.06 2340.42 2352.30 2367.73 2644.14 2694.99 2725.79 4605.14 4628.74 4677.03 4694.40 4725.43 4782.67 4801.79 4803.78 4815.90 4844.52 4853.69 4888.84 4892.04 4914.69
0.240643
0.250257
0.251201
0.205717
-462.227875
-462.218261
-462.217317
-462.262802
1.525574D-04
MUNgauss
RevisionA2.1
retrievium
05-Apr-2022
GDB_13 Smiles: CC(=C)C12CC(=C)C3C(C=C1)C23
RHF
6-31G(d)
(6D,10F)
C1
158.109551
|X|Y|Z|
22.285915 32.672514 16.590584
22.945185
8
|36.858105|
|12.594314|36.858105|
|7.734552|14.408977|36.858105|
|7.353443|12.525731|7.649911|36.858105|
|6.202587|7.329070|5.116678|12.233889|36.858105|
|4.430237|5.008723|3.890303|7.850129|12.541552|36.858105|
|3.487346|3.783391|3.120535|5.178006|7.513524|14.451207|36.858105|
|4.383850|5.035601|3.966309|7.813537|7.837416|12.705585|7.578957|36.858105|
|4.081412|5.152656|4.377231|7.854081|6.034430|7.270914|5.255720|12.475848|36.858105|
|3.897810|5.292527|4.819027|8.067395|6.010154|6.384643|4.923352|7.347510|12.765399|36.858105|
|4.825582|7.396638|6.559796|12.494534|7.740896|6.514226|4.839084|6.435776|8.222734|14.446160|36.858105|
|5.818474|7.389647|5.432766|12.229434|7.855166|7.849706|5.146375|12.738914|12.770082|7.952135|7.919927|36.858105|
|17.543181|8.811269|6.104480|6.399919|6.508892|4.456993|3.614833|4.083435|3.658294|3.572668|4.430043|4.926198|0.500000|
|17.532536|8.810839|5.876679|6.831253|6.000086|4.646261|3.618141|4.852068|4.302276|3.827921|4.458397|6.476238|0.302908|0.500000|
|17.587233|8.858670|7.384903|5.442877|4.613561|3.547442|2.910985|3.577575|3.461114|3.350983|4.032712|4.613086|0.302057|0.301504|0.500000|
|7.119165|9.100088|17.702565|5.474936|4.134939|3.252728|2.696459|3.308469|3.560250|3.799859|4.790376|4.320075|0.159217|0.149882|0.226194|0.500000|
|5.501123|9.054293|17.737551|6.964595|4.694421|3.756931|3.059372|3.859746|4.535510|5.429105|7.479447|5.123444|0.130001|0.127149|0.144955|0.289806|0.500000|
|7.251601|6.951814|4.761659|8.720920|17.537478|8.952319|6.331626|6.534104|4.910403|4.603761|5.576149|6.723174|0.232220|0.204172|0.143366|0.112289|0.115639|0.500000|
|5.296708|6.262813|4.822140|8.587970|17.563376|8.710436|6.818219|5.688354|4.870089|5.378089|7.176038|5.625219|0.163559|0.134058|0.115646|0.110218|0.126445|0.301671|0.500000|
|3.311524|3.529646|2.957976|4.564115|6.788732|9.090929|17.700201|5.456593|4.194333|4.180927|4.325425|4.222632|0.098591|0.093070|0.077576|0.071940|0.080338|0.166228|0.196888|0.500000|
|3.007118|3.232413|2.741568|4.257182|5.425120|9.099572|17.700960|6.846542|4.945221|4.464097|4.119837|4.546083|0.085064|0.087857|0.071397|0.066703|0.075446|0.133727|0.137542|0.288944|0.500000|
|3.803792|4.092073|3.335019|5.551108|5.735022|8.571901|6.611595|17.702733|8.567714|5.432735|4.744052|8.474405|0.099174|0.120496|0.088860|0.080023|0.089725|0.147731|0.124075|0.135054|0.187888|0.500000|
|3.490065|4.194458|3.741579|5.574691|4.537722|5.401583|4.327285|8.565841|17.700405|8.522547|5.847736|8.488986|0.086805|0.103595|0.085160|0.087735|0.108308|0.109230|0.106206|0.098160|0.119950|0.213380|0.500000|
|3.215340|4.158005|3.994201|5.603794|4.662708|5.078043|4.338466|5.568437|8.400832|17.727899|8.929308|5.564066|0.083374|0.087495|0.079069|0.091102|0.127623|0.103649|0.123073|0.105145|0.114053|0.125405|0.197887|0.500000|
|4.375628|6.452402|6.405300|8.349298|6.424631|5.237589|4.253841|4.823117|5.675640|8.938118|17.721525|5.539937|0.115818|0.108200|0.105030|0.133385|0.216550|0.135251|0.191845|0.111897|0.101028|0.105459|0.124250|0.205708|0.500000|
|6.044983|6.863631|5.230407|8.249987|5.883739|5.711229|4.152945|8.363013|8.399808|5.768148|5.773578|17.723828|0.134625|0.204299|0.138022|0.121264|0.132062|0.157578|0.124769|0.097886|0.105483|0.199319|0.200370|0.123370|0.123294|0.500000|
462.236948
-2463.755776
912.864874
-67.392074
-1156.046028
693.577510
-462.468518
2.000501
405FFFFFFFFFFFF5
4191498D4FFFFFFA
4129BADE3B88EE1B
40C71A0000000001
C020000000000000
41334AA0FFFFFFFF