Version2.5 2022-04-05T17:35:35Z 10.1021/ja902302h Gaussian16 RevisionB.01 RPOIRIER 09-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#CC12C=CC(=C)C1C2C#C RHF 6-31G(d) (6D,7F) CC#CC12C=CC(=C)C1C2C#C C1[X(C12H10)] 60 C1 200 CC#CC12C=CC(=C)C1C2C#C C#CC1C2C1(C#CC)C=CC2=C CC#CC12C=CC(=C)C1C2C#C InChIKey=ZQGKEKVRYQGRAS-UHFFFAOYSA-N InChI=1S/C12H10/c1-4-7-12-8-6-9(3)11(12)10(12)5-2/h2,6,8,10-11H,3H2,1H3 InChI=1/C12H10/c1-4-7-12-8-6-9(3)11(12)10(12)5-2/h2,6,8,10-11H,3H2,1H3 CC#CC12C=CC(=C)C1C2C#C C01[X(C12H10)] 60 C1 200 CC#CC12C=CC(=C)C1C2C#C CCC[C@]12CC[C@H]([C@@H]2[C@H]1CC)C CCC[C@@]12CC[C@@H](C)[C@@H]1[C@H]2CC InChIKey=GJUAZWSJYLMMAA-KKOKHZNYSA-N InChI=1S/C12H22/c1-4-7-12-8-6-9(3)11(12)10(12)5-2/h9-11H,4-8H2,1-3H3/t9-,10-,11-,12+/m1/s1 InChI=1/C12H22/c1-4-7-12-8-6-9(3)11(12)10(12)5-2/h9-11H,4-8H2,1-3H3/t9-,10-,11-,12+/m1/s1 4.597135549086D+02 -2.250444957071D+03 589.6716416711 -460.0518512 1-A 2278.5757 41 159 200 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -11.27005 -11.26477 -11.24713 -11.24578 -11.24190 -11.24172 -11.23330 -11.22731 -11.22078 -11.22003 -11.21651 -11.21387 -1.21851 -1.08460 -1.05210 -1.02560 -1.00880 -0.96112 -0.87521 -0.87251 -0.77729 -0.74901 -0.73347 -0.69393 -0.64854 -0.62947 -0.61131 -0.60030 -0.58599 -0.58490 -0.55901 -0.54539 -0.50647 -0.50086 -0.48454 -0.42283 -0.38976 -0.38354 -0.36053 -0.34110 -0.30795 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.11797 0.20476 0.21566 0.22141 0.23887 0.25714 0.25933 0.26623 0.27820 0.28425 0.28886 0.31949 0.32548 0.33022 0.34046 0.34707 0.39069 0.39487 0.41391 0.42372 0.44481 0.49117 0.50682 0.54049 0.55978 0.57498 0.60579 0.62665 0.64230 0.64999 0.70056 0.71790 0.74559 0.74944 0.76773 0.78223 0.79570 0.80666 0.83004 0.83297 0.84020 0.85085 0.88290 0.89216 0.89907 0.90617 0.92703 0.93184 0.95656 0.96300 0.97125 1.02001 1.03532 1.04885 1.07867 1.08720 1.09916 1.11226 1.11929 1.12729 1.13275 1.14236 1.15493 1.16094 1.17674 1.19470 1.21207 1.21632 1.22609 1.23427 1.24828 1.28074 1.34183 1.39447 1.40422 1.43459 1.46519 1.47378 1.55014 1.57425 1.60057 1.66248 1.69558 1.71532 1.73150 1.74037 1.76042 1.80011 1.81784 1.82555 1.83464 1.84983 1.85594 1.89183 1.93896 1.95115 1.96868 1.99786 2.02987 2.04280 2.06862 2.11906 2.14000 2.16863 2.22881 2.24134 2.25808 2.28038 2.28602 2.29972 2.31819 2.33349 2.34796 2.37974 2.40416 2.43317 2.46382 2.48547 2.50954 2.54946 2.56664 2.59388 2.62914 2.64058 2.66639 2.71792 2.73283 2.76538 2.78884 2.86036 2.89109 2.94272 2.95138 3.02607 3.06108 3.07600 3.12195 3.13784 3.15915 3.24856 3.27233 3.36150 3.43235 3.44892 3.50690 3.83313 3.96407 4.54519 4.56020 4.60661 4.61767 4.66232 4.70091 4.83483 4.91995 5.03610 5.06908 5.25314 5.39345
11.58978
0.3057 -0.5339 0.0268 0.6158 |XX|YY|ZZ|XY|XZ|YZ| -59.3936 -67.7595 -68.8533 1.5712 2.1526 3.2275
|XX|YY|ZZ|XY|XZ|YZ| 5.9418 -2.4240 -3.5178 1.5712 2.1526 3.2275
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| 25.7915 13.3270 1.2964 19.1970 -11.1471 9.1072 -2.2768 -3.1424 -1.0106 -4.2108
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY| -1755.1730 -834.9302 -276.6577 1.5550 15.1589 75.3450 18.8790 1.0672 14.5587 -418.7458 -367.7318 -199.9991 10.6355 18.3590 -13.7243
0 |0.58844708|0.00984864|0.61991309|-0.00862808|0.00237576|0.62015913|-0.27908549|0.06712751|-0.05074169|1.42765210|0.06719685|-0.10286011|0.01591844|-0.44282091|0.26625398|-0.05039543|0.01582854|-0.09163324|0.32676290|-0.10819925|0.19599570|-0.00052614|0.00174993|-0.00151862|-1.09215384|0.35245119|-0.25777281|1.44253143|0.00241141|0.00775906|0.00093346|0.35288155|-0.17124315|0.08778007|-0.44321409|0.26949143|-0.00162154|0.00137263|0.00699690|-0.25819120|0.08752477|-0.11773999|0.33527330|-0.10740258|0.19656009|0.00222690|0.00241677|-0.00063587|-0.00790090|0.00388421|-0.00401499|-0.29977339|0.06799625|-0.06259457|0.70838826|0.00060220|0.00501298|0.00042804|0.00903877|0.00535673|0.00165943|0.06227706|-0.09509379|0.00986195|-0.07929101|0.51839212|-0.00179010|0.00009671|0.00583630|-0.00066087|-0.00034699|0.00827827|-0.06650512|0.01425659|-0.09406630|0.09153469|0.09566405|0.37162592|0.00001220|0.00058450|0.00038097|0.00170482|-0.00035884|0.00026999|-0.02527175|-0.01796639|-0.01869090|-0.14711915|-0.05140524|-0.04735779|0.86886538|-0.00064848|-0.00004496|-0.00051814|0.00271736|-0.00166135|-0.00000472|0.00488037|0.01352622|0.00996559|-0.04637609|-0.14259109|-0.05857014|-0.04195908|0.44548935|-0.00025515|0.00012705|0.00028719|0.00168372|-0.00130495|0.00040560|-0.00641792|-0.00002085|-0.00206169|-0.03896882|-0.05079462|-0.11903703|-0.20869349|0.28776193|0.52485321|0.00015501|-0.00003536|0.00009525|-0.00068140|0.00060044|-0.00003225|-0.00032363|-0.00281131|-0.00199851|-0.03557390|-0.01897635|-0.00729205|-0.57024787|0.02203891|0.14394634|0.99767015|0.00010093|-0.00003925|0.00014926|-0.00052284|0.00047612|0.00003958|-0.00129740|-0.00264275|-0.00267265|-0.02404031|0.00231985|-0.00023460|0.03058423|-0.10298248|-0.04464508|0.12471455|0.40720665|0.00012798|0.00001369|0.00005029|-0.00055685|0.00045733|0.00009907|-0.00183161|-0.00276442|-0.00211051|-0.01378175|-0.00405505|0.00768718|0.14941963|-0.04198416|-0.15130147|-0.06390039|0.24630124|0.44203815|0.00001408|0.00018536|-0.00017958|-0.00003571|-0.00000365|-0.00040710|-0.00140724|-0.00174257|0.00280924|-0.03490899|0.00052469|0.01488911|-0.01791266|0.02653594|0.03396646|-0.10827503|-0.01320694|-0.00445546|0.87331398|-0.00034218|-0.00002564|-0.00000221|0.00096987|-0.00050945|0.00054226|0.00196933|-0.00056289|-0.00600088|0.02486833|-0.00197329|0.00662349|0.02154528|0.00337528|-0.01265570|-0.00408851|-0.16014785|-0.08975178|-0.02391063|0.39008199|-0.00003503|-0.00011428|0.00008295|0.00021162|-0.00002999|0.00044064|-0.00079022|-0.00012180|-0.00291934|0.01057222|0.00316346|-0.00587475|0.02749926|-0.01806996|-0.01645959|0.00610471|-0.08861123|-0.17932751|-0.25972087|0.22903016|0.54366667|0.00015386|-0.00001564|0.00000906|-0.00036565|0.00021670|-0.00021545|-0.00017022|-0.00001273|0.00171634|-0.00491659|-0.00097405|-0.00154219|0.00540527|-0.00245783|-0.00417894|-0.00085311|0.00794102|0.01166362|-0.47753361|0.07368752|0.22451253|0.87005265|0.00005742|0.00001035|-0.00000800|-0.00024853|0.00015395|-0.00016895|-0.00013003|0.00030824|0.00153823|-0.00448997|0.00009671|-0.00230238|-0.00291797|-0.00457565|-0.00578883|0.02679803|0.00121813|-0.01623404|0.07769914|-0.12172276|-0.09166652|0.05129993|0.42953922|0.00001495|0.00005625|-0.00003579|-0.00014091|0.00004065|-0.00007695|0.00019431|0.00012731|0.00101059|-0.00272674|0.00034971|0.00013596|-0.00486485|-0.00565604|-0.00357245|0.03243250|-0.00968812|-0.01241080|0.22712930|-0.09059690|-0.24479520|-0.19801700|0.31336637|0.54755195|0.00002325|0.00004391|-0.00057272|0.00235087|-0.00021746|-0.00030796|-0.02167903|0.00692188|0.02262337|-0.12905589|0.06849864|0.04190600|0.00997804|0.00393302|-0.00590508|-0.01075820|-0.01305076|-0.01016422|-0.21192115|-0.06706424|-0.02666603|-0.02575030|-0.01263538|-0.00125992|0.56866501|0.00098942|0.00068363|0.00047973|-0.00402699|0.00182623|-0.00157255|0.01314939|-0.01078244|-0.00047154|0.02022569|-0.07010891|-0.03716792|0.00385782|-0.01734546|-0.03276446|-0.01923610|-0.01316948|-0.01235424|-0.05259309|-0.10723735|-0.01825631|0.00329646|0.00990832|0.00233184|0.12026420|0.35996317|0.00030092|-0.00015389|-0.00055917|-0.00156502|0.00089318|-0.00145997|-0.00765691|0.00109273|0.01622623|0.05358341|-0.09065570|-0.12938295|0.00986684|-0.01042012|-0.02588826|-0.02366779|-0.02021317|-0.00443504|-0.02196313|-0.01836388|-0.10813947|0.02166505|0.01048708|0.00954190|0.02610071|0.12782098|0.76610192|-0.00051396|-0.00112301|0.00011186|-0.00032584|-0.00103851|0.00096239|-0.00443622|0.03200503|-0.01656805|-0.06599686|0.01540177|-0.02876337|-0.00028466|-0.01154220|0.01530725|-0.00501220|-0.00384733|-0.00264684|-0.01133558|-0.03043623|0.02276558|0.00172151|-0.00036199|-0.00116073|-0.08286096|-0.03173530|0.02407280|0.53817719|0.00057807|0.00021811|0.00032632|-0.00467730|0.00023636|-0.00070751|0.01290880|-0.01057347|0.00375558|0.04771135|-0.18478032|-0.00187151|-0.01508891|-0.02653095|0.00834015|0.00280279|-0.00460525|-0.00263175|0.00052161|-0.00812830|0.00790179|0.00124143|-0.00047559|-0.00151100|-0.07273253|-0.07055619|0.08937186|0.12761333|0.55759232|0.00065789|0.00031732|0.00027699|-0.00301037|-0.00013472|0.00048624|0.00734432|0.00431930|-0.00623041|-0.04477461|0.05010689|-0.03875486|-0.00285467|-0.02029078|0.00701081|0.00011205|-0.00038368|-0.00050077|0.01169476|-0.00138046|0.00517018|-0.00375571|-0.00058494|0.00044051|0.04112082|0.04015846|-0.17912039|0.18856870|-0.11349082|0.55102062|0.00014994|0.00005771|-0.00002035|-0.00024113|0.00035901|-0.00022315|0.00028134|0.00047997|0.00027150|0.01181963|-0.00034401|0.01200097|0.00034444|0.00239000|-0.00309972|0.00029209|0.00127310|0.00091146|0.00216702|-0.00151665|0.00161338|-0.00062857|-0.00027570|0.00001758|-0.01709540|-0.02321756|-0.00306898|-0.20245880|-0.11767579|-0.04371938|0.82656430|0.00004031|-0.00007150|0.00000948|-0.00042880|-0.00025487|-0.00019990|-0.00075130|0.00122658|-0.00253790|-0.02591321|-0.02867865|0.00051440|0.00044326|-0.00248311|0.00405736|-0.00134240|-0.00089299|-0.00071621|0.00181548|-0.00090519|-0.00300512|0.00016331|0.00091724|0.00078857|-0.00227150|-0.01520038|0.00621135|-0.12554572|-0.19911437|-0.03263135|0.75954138|0.92973979|0.00007404|-0.00008617|-0.00004252|-0.00002724|0.00033402|-0.00012115|-0.00074550|0.00182860|0.00082449|-0.00532006|-0.00511227|-0.00444608|-0.00012556|-0.00192353|0.00088575|0.00154569|-0.00082454|0.00052432|-0.00226333|0.00343384|-0.00453089|0.00061121|0.00077978|0.00077312|0.02210559|0.02028933|0.00988022|-0.03986407|-0.02581979|-0.09184875|0.17022452|0.17438164|0.16096725|-0.00011739|-0.00012223|-0.00006594|0.00103972|0.00008758|0.00031486|-0.00031608|0.00066457|0.00002199|-0.00245787|0.00299346|-0.00470742|-0.00016723|-0.00074549|0.00139898|0.00009085|-0.00059687|-0.00028265|0.00048277|-0.00039558|0.00076371|-0.00011377|-0.00021122|-0.00011824|0.00001082|0.00347753|-0.00249648|0.00225530|-0.01289837|0.00079972|-0.61178765|-0.60486737|-0.13072623|0.83961359|-0.00021778|0.00005918|-0.00005376|0.00035339|-0.00011096|0.00015311|-0.00037065|-0.00044400|-0.00014262|0.00054994|0.00344052|-0.00318648|-0.00009431|-0.00022900|0.00102226|-0.00011870|-0.00037321|-0.00023249|0.00056638|-0.00056352|0.00121393|-0.00028550|-0.00030603|-0.00027013|-0.00179565|0.00347278|-0.00357781|-0.00713369|-0.00225895|0.00176466|-0.60400611|-0.69654659|-0.14152307|0.82399082|0.95032940|-0.00003261|-0.00005822|-0.00002771|0.00031644|0.00002580|0.00019205|-0.00027064|0.00026856|-0.00003047|0.00032704|0.00108384|-0.00015741|-0.00008239|0.00003122|0.00032727|-0.00004966|-0.00005046|-0.00003163|0.00012927|-0.00022978|0.00075081|-0.00007073|-0.00017133|-0.00014862|-0.00110426|0.00034853|-0.00171248|-0.00248365|-0.00324813|0.00994372|-0.13112166|-0.14221878|-0.07976522|0.18158829|0.19160177|0.11109872|-0.12825556|-0.10787263|-0.06474437|-0.02397071|-0.02583412|-0.01757704|-0.00059775|0.00203498|0.00032335|0.00080509|0.00088929|0.00057794|0.00000252|0.00030929|0.00012939|-0.00006307|-0.00006476|-0.00008602|0.00002764|0.00008663|-0.00004105|-0.00004339|-0.00000125|0.00002624|-0.00006466|-0.00001097|-0.00016072|-0.00040233|-0.00002401|-0.00019716|-0.00013060|-0.00023027|-0.00005420|0.00021588|0.00015612|0.00008290|0.14098951|-0.10727178|-0.21803267|-0.09678147|0.00698687|0.01464998|0.00827083|0.00156120|-0.00118940|-0.00018698|-0.00042768|-0.00025955|-0.00022047|0.00003546|-0.00008616|-0.00002118|0.00002744|0.00003783|0.00002675|-0.00001448|-0.00002926|0.00001848|0.00000364|0.00000149|-0.00000576|0.00007478|-0.00011230|0.00004279|0.00016012|0.00000015|-0.00004724|0.00000497|0.00009311|0.00000402|-0.00008552|-0.00003001|-0.00001916|0.11638053|0.23218403|-0.06455506|-0.09693153|-0.11480653|-0.00571095|-0.00388872|-0.00483787|-0.00003957|0.00015749|0.00087670|0.00010667|0.00009169|0.00022166|-0.00000420|0.00011200|-0.00004495|-0.00002562|-0.00002630|-0.00001154|0.00001523|0.00008292|-0.00002605|-0.00002027|-0.00000172|0.00000283|-0.00014522|0.00000034|-0.00001938|-0.00002059|-0.00009469|0.00004636|-0.00002574|-0.00005351|-0.00002165|0.00011828|0.00005436|-0.00000732|0.07359011|0.10634416|0.11827519|-0.05738590|-0.01032912|0.00829611|-0.00204309|0.03327142|-0.02608635|-0.00145242|-0.00107935|0.00051018|-0.00061081|-0.00033372|0.00108381|-0.00008521|0.00027669|0.00018761|-0.00011337|-0.00008383|-0.00005511|-0.00001864|0.00021331|0.00005016|-0.00009125|-0.00005959|-0.00000331|-0.00017352|-0.00052766|-0.00013659|0.00021639|-0.00023134|-0.00048897|-0.00009613|-0.00011885|-0.00003926|0.00010316|0.00011763|0.00002749|-0.00026732|-0.01375401|0.01346494|0.06256306|-0.01078837|-0.23515667|0.14082036|0.00445028|-0.00759471|0.00489084|-0.00044742|0.00085498|0.00007350|0.00011278|0.00008243|-0.00013733|0.00009646|-0.00018122|-0.00010286|0.00006675|0.00005543|0.00004991|-0.00001111|-0.00003959|0.00000071|0.00003536|0.00001410|-0.00001700|-0.00001319|0.00015327|0.00007823|-0.00005166|0.00012064|0.00013845|0.00000078|0.00001281|0.00000614|0.00003943|-0.00004969|-0.00000430|-0.00107980|-0.02059466|0.01764649|0.00838228|0.25158102|0.00873734|0.14087958|-0.16860906|-0.00382536|0.00475996|-0.00485241|0.00068649|-0.00008948|0.00078318|-0.00032870|0.00021656|0.00034252|0.00006330|0.00007714|0.00005827|-0.00003793|-0.00003365|0.00000119|0.00001785|0.00013687|0.00003543|-0.00004911|-0.00003500|-0.00001431|-0.00015037|-0.00024123|-0.00003866|0.00012895|-0.00015863|-0.00016220|-0.00001881|-0.00000884|-0.00001325|0.00001792|0.00003349|0.00001558|0.00068229|-0.01429229|0.01327580|-0.00691713|-0.15651203|0.17744271|-0.12558073|0.03756375|0.11822156|-0.02399354|0.01155068|0.02886231|0.00000308|-0.00007732|-0.00176640|-0.00008600|0.00011910|-0.00072153|-0.00010074|0.00049362|0.00003901|-0.00011840|-0.00014305|-0.00009398|0.00010392|0.00023418|-0.00000240|-0.00008636|-0.00004894|-0.00002166|0.00006414|-0.00058087|0.00000539|-0.00004759|-0.00015508|-0.00042719|-0.00007772|-0.00007173|-0.00003543|0.00010951|0.00011934|-0.00000521|0.01194663|-0.00370977|-0.01675318|-0.00030700|-0.00089031|0.00104043|0.13836393|0.03752895|-0.07731635|-0.06388200|0.00719300|-0.00486964|-0.00874756|0.00049209|0.00070790|0.00043961|-0.00013026|0.00032572|0.00032495|0.00016090|-0.00024688|0.00004676|0.00006335|0.00007014|0.00005327|-0.00003767|-0.00004800|0.00004460|0.00001736|-0.00000232|-0.00001007|-0.00002077|0.00004990|0.00000591|0.00001675|0.00005699|-0.00003239|0.00000339|0.00001535|0.00001036|-0.00004312|-0.00004813|0.00004096|0.01512822|-0.00661927|-0.02349229|-0.01591151|0.01077828|0.02523411|-0.04447766|0.07711003|0.11754052|-0.06379841|-0.25795161|-0.00523126|0.00362328|0.01456162|-0.00133338|0.00029817|-0.00088348|0.00015578|-0.00015525|-0.00040540|-0.00007111|0.00006698|-0.00004132|-0.00001683|-0.00003083|-0.00000728|0.00001494|0.00004012|-0.00000081|-0.00000794|-0.00001212|0.00000262|-0.00006098|-0.00004885|0.00002080|0.00001883|-0.00002583|-0.00000862|-0.00000544|-0.00000690|0.00000682|0.00001944|0.00000968|0.00001429|0.00731254|-0.00312002|-0.01295629|0.01004560|-0.00687989|-0.01823882|-0.12837800|0.07001766|0.27589382|-0.00000949|0.00001424|-0.00006339|-0.00061393|0.00043241|0.00017812|0.00221605|0.00019494|0.00084210|0.01138208|-0.01210426|-0.01506478|-0.10736670|0.06107888|0.08106379|0.00051435|0.02108172|0.02517827|-0.00649630|-0.00204030|0.00191268|0.00079248|0.00157530|0.00141187|-0.00265807|-0.00297528|-0.00281328|-0.00007062|0.00066621|-0.00043743|0.00035010|-0.00004552|-0.00012634|-0.00015311|-0.00009432|0.00001512|0.00002904|-0.00000698|0.00002541|-0.00000955|-0.00000653|-0.00000376|-0.00003057|-0.00001853|-0.00000006|0.10104039|0.00004774|0.00000030|-0.00000179|-0.00064403|0.00025163|0.00002325|0.00055017|0.00010798|0.00047656|0.00962665|-0.00595573|-0.01167811|0.06318073|-0.17091884|-0.14956856|-0.00343665|0.00710126|-0.00084556|-0.00224322|0.00641506|-0.00651662|0.00052901|-0.00006672|0.00029164|-0.00255930|0.00076585|-0.00195870|-0.00027538|0.00032356|0.00075979|0.00031118|-0.00006645|-0.00009453|-0.00020623|-0.00016906|0.00004076|-0.00000925|-0.00000082|-0.00000155|-0.00000842|0.00000531|0.00000392|-0.00004411|0.00001969|-0.00000425|-0.06713576|0.16724336|-0.00003138|0.00001902|-0.00000507|-0.00052012|0.00053563|-0.00003732|0.00089947|-0.00012815|0.00055811|0.00617612|-0.00518588|-0.00418325|0.08277913|-0.14923611|-0.22759396|0.00084722|-0.00660092|0.00177774|0.00172307|-0.00592422|0.00611770|-0.00017425|0.00013009|-0.00031035|-0.00063273|-0.00232651|-0.00087132|-0.00007102|-0.00031526|-0.00112070|0.00025487|0.00002946|-0.00009640|-0.00014579|-0.00011626|-0.00001195|0.00003552|0.00000129|0.00001473|-0.00003166|-0.00000293|-0.00002913|-0.00003795|-0.00001454|-0.00000127|-0.09093636|0.16544492|0.22875825|0.00006864|-0.00002851|0.00001743|-0.00015773|0.00014697|-0.00005319|-0.00046617|-0.00087252|-0.00042474|-0.00360193|-0.00055966|0.00262690|-0.01419849|-0.01864041|-0.01564400|-0.25981240|-0.12406109|-0.08980625|0.00839636|0.00450259|0.00358098|0.00074356|-0.00026433|-0.00085797|-0.00050923|0.00196112|0.00212586|-0.00071679|-0.00030422|-0.00005248|0.00024952|-0.00029349|-0.00001378|-0.00011714|-0.00010776|-0.00001441|-0.00004455|0.00001466|-0.00001084|-0.00004484|0.00002983|-0.00001415|-0.00004256|0.00002247|-0.00000238|0.00067708|0.00131915|-0.00024669|0.26899500|0.00003147|0.00001095|0.00002719|0.00002732|-0.00001076|0.00005646|-0.00089480|-0.00060156|-0.00048177|-0.00045690|0.00796096|-0.00496019|0.00337978|0.00749718|0.00092676|-0.12506161|-0.13679747|-0.07257613|-0.01774275|-0.00576868|-0.00383225|-0.00014257|0.00004941|0.00116360|0.00155119|-0.00170697|-0.00496591|0.00184990|0.00152162|0.00035400|-0.00040851|0.00069521|0.00012465|0.00015437|0.00004287|0.00006024|-0.00001263|0.00000438|-0.00000867|-0.00001236|0.00000600|-0.00000081|-0.00002972|0.00001816|-0.00000289|0.00021822|-0.00319990|0.00358742|0.13748528|0.13026926|-0.00001957|-0.00000284|-0.00005446|0.00004867|-0.00008069|-0.00005293|0.00104555|0.00121255|0.00127389|0.00429081|-0.00704666|0.00264228|0.01149413|0.00765548|0.01145099|-0.09228752|-0.07338839|-0.10624225|-0.01992096|-0.00680959|-0.00068425|-0.00046775|0.00092963|0.00036294|-0.00086269|-0.00317200|-0.00190522|-0.00115356|-0.00169650|-0.00098604|0.00017214|-0.00053157|0.00027966|-0.00018077|-0.00010850|-0.00003713|0.00003293|-0.00001204|0.00001281|0.00000201|-0.00001159|-0.00000911|0.00002732|-0.00002816|0.00000814|-0.00155206|0.00314142|-0.00274950|0.09923457|0.08033455|0.09666514|0.00005128|-0.00001150|0.00001551|-0.00008524|0.00005096|-0.00003675|0.00006774|-0.00002114|0.00027059|-0.00062734|-0.00046756|-0.00034441|0.00009260|0.00014589|0.00014772|0.00109298|0.00103549|-0.00237825|-0.02209389|-0.01625291|-0.00826406|-0.30019176|-0.12416191|-0.04876707|0.00009021|0.00042235|0.00494951|-0.00082502|-0.00007818|-0.00014343|-0.00009587|0.00028711|0.00031477|-0.00012569|-0.00018072|-0.00004292|-0.00001269|0.00000140|-0.00000623|-0.00002945|0.00001297|-0.00001770|-0.00003194|0.00000696|-0.00000206|0.00006342|-0.00008962|0.00017181|-0.00001563|0.00069121|0.00086351|0.31802490|0.00003581|-0.00000104|-0.00000403|-0.00004666|0.00000806|-0.00003237|-0.00025535|0.00004386|0.00040943|-0.00063996|0.00063251|-0.00019906|-0.00077953|-0.00022013|-0.00028359|0.00240344|-0.00494139|0.00418735|0.00838228|0.00971204|0.00192716|-0.12793712|-0.11920057|-0.04232426|-0.00144760|0.00688984|-0.00624159|0.00239574|0.00023625|-0.00016335|0.00024993|-0.00030920|-0.00040063|0.00007563|0.00012067|0.00007763|-0.00001451|0.00000278|-0.00001055|-0.00001356|0.00000260|-0.00000820|-0.00001879|0.00000715|-0.00000042|-0.00013916|0.00042453|-0.00037072|-0.00023732|0.00037998|-0.00006076|0.13783769|0.11182275|-0.00004160|-0.00001371|0.00001595|0.00010648|-0.00004117|0.00007022|0.00028389|0.00003652|-0.00071422|0.00169044|-0.00050605|0.00034827|0.00054413|0.00037846|0.00080791|-0.00146792|0.00561151|-0.00280161|0.01871517|0.00902190|0.00870761|-0.05323401|-0.04333484|-0.07104231|0.00366760|-0.00711679|0.00310985|-0.00201985|-0.00027309|0.00037227|-0.00012879|0.00017692|0.00021344|-0.00006265|-0.00005129|-0.00002401|0.00001361|-0.00000142|0.00000783|0.00002151|-0.00000390|0.00001036|0.00001883|-0.00000344|0.00000173|0.00002111|-0.00040763|0.00034508|-0.00019847|-0.00032384|-0.00002358|0.05267831|0.04671735|0.06099531|-0.00000190|-0.00000238|0.00000261|0.00000841|-0.00000592|0.00000012|-0.00006624|-0.00004416|-0.00006128|0.00023738|-0.00023631|-0.00000550|0.00023708|0.00136936|0.00120712|-0.00361516|-0.00302424|0.00286999|0.00644483|0.02242296|0.02515938|-0.06923164|-0.01141192|-0.00338843|0.00111924|0.00167450|-0.00102908|0.00016676|0.00005647|0.00013486|0.00004671|-0.00007598|-0.00010499|0.00001188|0.00000775|-0.00002452|-0.00000781|0.00000110|-0.00000084|-0.00000017|0.00000283|0.00000268|0.00000418|0.00000092|-0.00000206|-0.00055341|0.00027112|-0.00021563|0.00004580|0.00035346|0.00030588|0.00436450|-0.01925584|-0.02157647|0.06127087|-0.00002873|0.00001346|-0.00000668|0.00005073|-0.00002563|0.00004387|0.00009513|0.00002993|-0.00020539|0.00026386|-0.00007086|-0.00023852|0.00020520|-0.00019497|-0.00003969|-0.00132355|0.00844345|-0.00598194|-0.00200924|0.00047463|-0.00668648|-0.00725218|-0.19537993|-0.16841551|0.00093840|-0.00396917|0.00423825|-0.00102374|-0.00007917|0.00032341|-0.00013832|0.00016465|0.00020607|-0.00000196|-0.00003422|-0.00001270|0.00001925|-0.00000153|0.00000495|0.00001825|-0.00001313|0.00000479|0.00001090|-0.00000617|0.00000453|0.00031099|-0.00089765|0.00085613|-0.00006362|-0.00011572|0.00027357|0.00084419|-0.00533594|-0.01016291|0.00803787|0.19646868|-0.00000313|0.00000150|-0.00000798|-0.00002348|0.00001265|-0.00002295|-0.00003389|0.00012307|0.00028564|-0.00052706|0.00014185|0.00023949|-0.00038068|-0.00089381|-0.00103674|0.00466519|-0.00553144|0.00634506|-0.00234103|-0.01461012|-0.00802955|0.00094662|-0.16687243|-0.22819765|-0.00209427|0.00430785|-0.00239170|0.00153590|0.00025487|-0.00032307|0.00010611|-0.00016850|-0.00025143|0.00007191|0.00017250|0.00006316|0.00000350|0.00000095|0.00000044|-0.00000542|-0.00000097|-0.00000380|-0.00000278|-0.00000212|-0.00000165|0.00014654|0.00090032|-0.00076835|-0.00014788|0.00017553|-0.00007618|0.00071559|-0.00347493|-0.00031366|-0.00285569|0.18567225|0.23449483|0.00001164|0.00001617|0.00003356|-0.00059407|0.00000295|-0.00034767|0.00281946|0.00000755|-0.00112555|0.00826419|0.00325297|0.02069455|-0.00346771|-0.00043823|0.00253225|-0.00513035|-0.00179052|-0.00052772|-0.00022540|-0.00578199|-0.02817349|0.00128386|-0.00080692|0.00002104|-0.09513220|-0.03265448|-0.09582951|-0.00040113|0.00186613|0.00590915|0.00123216|-0.00052801|0.00157123|-0.00033728|-0.00008553|-0.00020789|-0.00004231|-0.00000255|0.00001974|-0.00003583|0.00001999|0.00000029|-0.00000379|-0.00001843|-0.00000099|0.00082402|0.00076853|0.00014314|0.00057593|-0.00117862|-0.00085230|0.00019335|-0.00038672|0.00082577|-0.00047365|0.00099785|0.00027956|0.09107686|0.00004124|-0.00008965|-0.00008370|0.00045770|-0.00014940|0.00043904|-0.00257281|0.00173939|0.00198560|-0.01265983|-0.00566289|-0.01981427|0.00274576|-0.00117301|-0.00341926|-0.00222073|-0.00121245|-0.00087986|-0.00225914|-0.00329626|-0.00840303|0.00092030|-0.00008757|0.00021179|-0.02997316|-0.06906603|-0.08516849|0.01083688|0.00688915|0.02681884|0.00308682|0.00206571|-0.00142331|-0.00030408|-0.00044298|-0.00053711|-0.00003293|0.00002210|-0.00002990|0.00002325|-0.00001857|-0.00001165|-0.00001295|0.00000958|0.00000773|-0.00091130|-0.00078781|-0.00051804|-0.00005084|-0.00011445|-0.00071131|0.00003214|-0.00033265|0.00027639|-0.00017774|0.00058046|-0.00018377|0.03633109|0.07134912|-0.00001868|-0.00003704|-0.00001878|0.00054486|-0.00006972|0.00025870|-0.00059031|-0.00015180|0.00080146|-0.00253449|0.00171371|-0.00641263|0.00099821|0.00095383|-0.00014069|0.00039318|0.00052227|0.00038575|0.00153685|0.00048964|0.00424326|-0.00018450|0.00018915|0.00064673|-0.09031318|-0.08399203|-0.32885118|-0.00494777|-0.00646746|-0.01709646|-0.00207075|-0.00081042|0.00144672|0.00063720|0.00060872|0.00055113|0.00001784|0.00000429|-0.00001049|0.00002932|-0.00000692|0.00000924|0.00000875|0.00001720|0.00000065|-0.00016942|-0.00005190|0.00005067|-0.00006558|0.00027835|0.00009420|-0.00008433|-0.00002249|0.00019143|-0.00040164|0.00020473|-0.00008027|0.09491754|0.08707094|0.34568383|0.00009102|-0.00008447|-0.00004348|-0.00048008|0.00001623|0.00011323|0.00075134|0.00220392|-0.00156659|-0.00983001|0.00160669|-0.01046972|-0.00035844|-0.00324548|0.00144556|0.00078785|-0.00096559|0.00044925|0.00128733|0.00128336|-0.00088780|-0.00021175|0.00053850|0.00006839|0.01484750|-0.00186319|0.01742977|-0.17030010|0.03067954|-0.15592418|-0.01543197|0.00092719|-0.01720931|-0.00007874|-0.00111891|0.00031375|-0.00006954|0.00000460|0.00002162|-0.00008746|0.00004898|-0.00000910|-0.00006336|0.00000300|0.00000471|0.00006736|0.00004836|-0.00000111|-0.00001795|0.00017436|-0.00022107|0.00006901|-0.00018702|0.00011943|0.00000407|0.00004347|-0.00005795|-0.00041224|-0.00324726|0.00224240|0.17915934|-0.00023170|0.00001560|-0.00011297|0.00111632|0.00005309|-0.00009034|-0.00218346|-0.00270128|0.00261675|0.01627183|-0.00881521|0.02309660|0.00377418|0.00154288|-0.00064064|-0.00096686|0.00080633|-0.00015538|-0.00036501|0.00089541|0.00195131|-0.00031296|-0.00038100|-0.00022617|0.00169867|-0.00428008|0.00154682|0.02668767|-0.06354342|0.04512619|-0.01883272|0.00542113|-0.02346138|-0.00118544|-0.00222046|0.00082210|0.00014201|-0.00001396|0.00001201|0.00015987|-0.00005038|0.00005167|0.00017453|-0.00001233|0.00000900|-0.00010860|-0.00061492|0.00012242|-0.00002538|-0.00012356|0.00009381|-0.00011683|0.00004559|0.00002816|0.00003843|-0.00004613|-0.00001675|0.00037499|-0.00022533|-0.00043650|-0.02652011|0.07469498|-0.00004545|0.00008455|0.00002089|0.00052212|-0.00002614|0.00006681|-0.00026069|-0.00171751|0.00064825|0.00768797|-0.00098737|0.00498218|-0.00021512|0.00041653|0.00117626|0.00072208|0.00024976|0.00028011|-0.00152361|-0.00292767|0.00140078|0.00082556|-0.00022498|0.00015650|-0.01646279|0.00468899|-0.01980152|-0.15350735|0.04911455|-0.24479790|-0.00227671|-0.00275317|0.00030744|0.00035476|0.00064413|0.00029608|0.00006529|-0.00001089|-0.00000596|0.00005005|-0.00003188|0.00000242|0.00001892|0.00000095|-0.00000200|0.00036562|0.00005781|0.00014924|-0.00003128|0.00007613|0.00004449|-0.00002839|0.00027060|-0.00026571|-0.00003019|-0.00006866|0.00007102|0.00013967|0.00422148|-0.00165882|0.16367898|-0.05109074|0.25695020|0.00007165|0.00001634|0.00003016|-0.00002758|0.00001181|0.00000621|-0.00003032|0.00003951|-0.00005262|-0.00066390|-0.00051249|-0.00008915|-0.00006176|-0.00011604|0.00010795|-0.00002520|-0.00003553|-0.00005311|-0.00007375|0.00004585|-0.00016526|0.00003477|0.00005734|0.00001065|0.00050955|0.00010301|0.00028723|0.00345147|-0.00278002|-0.00055667|0.00454659|-0.00073389|0.00020825|-0.22816155|-0.21025175|-0.04728975|-0.00004401|0.00001599|-0.00004368|-0.00003065|-0.00001032|-0.00000543|-0.00002509|0.00002060|0.00000013|0.00000537|-0.00000069|0.00001433|-0.00000647|0.00002390|0.00000072|0.00002451|-0.00002140|0.00002350|-0.00001170|0.00000525|0.00000236|-0.00002554|-0.00005238|0.00005449|0.00027682|0.00041059|-0.00004943|0.22026680|0.00001855|-0.00005887|-0.00001328|0.00004538|0.00002391|-0.00000411|0.00003263|0.00003918|0.00008211|0.00049758|0.00036976|0.00035116|-0.00002328|0.00003434|-0.00023199|0.00010241|0.00006938|0.00007346|-0.00009137|0.00000361|0.00006200|0.00003855|-0.00001903|-0.00000677|-0.00014315|-0.00017822|-0.00006991|-0.00285243|0.00345082|-0.00104758|-0.00134287|0.00417173|-0.00072924|-0.20981991|-0.25363860|-0.04785144|0.00004080|-0.00002627|0.00003302|0.00000060|0.00003173|-0.00000630|-0.00000580|0.00000020|0.00000853|0.00001360|0.00001937|0.00001315|0.00002708|-0.00001692|0.00001958|0.00001200|0.00001231|-0.00000712|-0.00000229|-0.00000502|-0.00000848|0.00003378|0.00000355|-0.00000655|-0.00034617|-0.00044694|0.00001353|0.21376431|0.24615997|0.00001918|0.00002349|0.00002532|0.00000851|-0.00000338|-0.00002014|0.00003987|-0.00003785|-0.00008912|0.00008250|0.00001769|0.00038063|0.00002514|0.00014833|-0.00008510|-0.00008772|0.00006143|-0.00000845|0.00013381|-0.00014802|0.00017139|-0.00003212|-0.00001425|-0.00002123|-0.00082167|-0.00094161|-0.00030422|-0.00026541|-0.00075313|0.00618247|0.00020694|-0.00052699|0.00502811|-0.04732088|-0.04801619|-0.04129887|-0.00003288|0.00000536|0.00001365|-0.00000500|0.00000698|-0.00000598|0.00000317|-0.00002376|-0.00001192|0.00000625|-0.00001119|0.00000704|-0.00000164|-0.00001241|-0.00001389|-0.00001173|0.00000743|-0.00001217|0.00001369|-0.00001408|0.00000533|-0.00002237|0.00015187|-0.00009447|0.00050323|0.00075403|-0.00002078|0.04755913|0.04932623|0.03017242| 154.07825 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 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 7.1397 70.6711 85.7350 137.2470 156.8103 189.6608 280.1558 305.7678 342.7090 381.4312 439.3795 462.9284 513.2586 553.2430 598.5004 652.4372 698.9668 724.4811 770.7519 779.9908 814.2183 854.8883 897.9041 959.8494 973.9584 1002.5850 1040.6675 1049.2440 1070.7848 1093.8155 1126.6706 1161.9572 1163.9153 1166.0835 1184.7111 1220.6176 1315.5270 1355.0911 1394.6405 1463.4907 1504.6685 1539.5242 1564.4417 1600.6035 1624.5520 1626.1499 1799.9706 1889.3926 2416.1826 2564.7992 3211.9883 3278.1048 3280.1836 3334.8166 3352.3663 3388.5503 3389.6567 3413.2066 3415.5126 3665.6070 1.0141 3.9589 3.6183 3.9482 3.7557 3.6520 4.0745 3.4866 4.3236 2.8208 3.3904 4.0213 5.9623 4.5813 5.5762 3.7940 3.6839 4.0923 1.2927 1.3283 1.3050 3.4058 1.6652 3.2354 4.1573 4.1326 1.4282 1.6215 2.7140 1.4589 2.4738 1.6692 1.4374 1.4221 1.5007 1.1450 2.1552 1.4900 2.4680 2.2397 1.9845 2.2710 1.2681 1.3615 1.0412 1.0417 6.0383 5.8110 5.7648 11.9190 1.0346 1.1034 1.1030 1.0622 1.0891 1.0925 1.0888 1.1168 1.1058 1.1692 0.0000 0.0116 0.0157 0.0438 0.0544 0.0774 0.1884 0.1921 0.2992 0.2418 0.3856 0.5077 0.9254 0.8262 1.1769 0.9515 1.0604 1.2655 0.4525 0.4761 0.5098 1.4665 0.7910 1.7562 2.3235 2.4475 0.9113 1.0518 1.8335 1.0284 1.8502 1.3278 1.1472 1.1393 1.2410 1.0051 2.1975 1.6120 2.8283 2.8263 2.6472 3.1713 1.8286 2.0551 1.6191 1.6230 11.5264 12.2221 19.8287 46.1950 6.2886 6.9857 6.9926 6.9597 7.2116 7.3910 7.3707 7.6657 7.6008 9.2559 0.0075 0.5910 0.5975 1.2838 1.3047 0.5134 2.4687 5.0243 4.7273 0.3407 1.3628 1.2812 7.2903 3.8068 2.9729 4.7220 2.3670 12.3372 8.2203 51.5555 43.8809 10.8606 13.2341 22.5786 16.3161 2.7459 47.7621 5.2741 6.1690 0.8615 2.4124 4.8199 0.3802 0.3977 1.3126 3.1797 2.3939 4.4091 1.0031 9.8302 5.6217 4.4894 12.7756 0.6102 5.1297 5.1258 2.3808 23.5510 6.4822 0.7654 38.7226 19.2358 17.1129 11.3199 4.0592 2.7177 1.3790 8.1121 23.2215 67.8040 0.0213 5.5660 8.4806 9.1069 1.8011 2.1668 5.5506 3.8771 5.8238 4.9648 11.2229 5.2271 11.6676 7.9505 9.4355 4.2375 15.0190 9.5600 5.7862 4.4489 2.6445 8.0978 7.5150 25.0746 14.2565 15.2178 3.1813 5.6559 13.3767 13.4999 12.0014 4.3910 0.9893 0.7938 10.1850 27.3732 11.2823 27.6917 33.9739 5.4142 12.3163 47.0897 30.7181 93.3707 21.4477 23.5175 42.0087 362.8550 255.2445 335.3272 230.7814 118.2859 98.8781 104.0839 79.7061 35.5238 81.0926 118.0946 130.4611 25.1809 0.6228 0.7423 0.7361 0.7428 0.6319 0.7238 0.7129 0.5661 0.7425 0.7463 0.4403 0.3946 0.7444 0.4389 0.7346 0.3885 0.6452 0.5889 0.5388 0.7478 0.6971 0.2829 0.5949 0.7035 0.6497 0.6359 0.6010 0.3694 0.7310 0.7256 0.1999 0.7330 0.7383 0.7453 0.4800 0.6778 0.6628 0.1654 0.1689 0.7097 0.7195 0.2731 0.5346 0.2585 0.7500 0.7420 0.2113 0.2695 0.2987 0.3105 0.0329 0.7493 0.7445 0.1258 0.2326 0.3564 0.5871 0.7274 0.1598 0.2351 0.7676 0.8521 0.8480 0.8524 0.7744 0.8397 0.8324 0.7229 0.8522 0.8547 0.6114 0.5659 0.8535 0.6100 0.8470 0.5596 0.7844 0.7413 0.7003 0.8557 0.8215 0.4410 0.7460 0.8260 0.7877 0.7774 0.7508 0.5395 0.8446 0.8410 0.3332 0.8460 0.8495 0.8541 0.6486 0.8080 0.7972 0.2839 0.2890 0.8302 0.8369 0.4290 0.6967 0.4109 0.8571 0.8519 0.3489 0.4246 0.4600 0.4738 0.0637 0.8567 0.8536 0.2235 0.3774 0.5255 0.7398 0.8422 0.2756 0.3806
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 6 6 6 6 6 6 6 6 6 6 6 6 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
1344.77067 2648.66010 3492.22668 0.99991 -0.01309 0.00320 0.01305 0.99985 0.01159 -0.00335 -0.01155 0.99993 1 0.06441 0.03270 0.02480 1.34204 0.68138 0.51679 10.27 101.68 123.35 197.47 225.62 272.88 403.08 439.93 493.08 548.79 632.17 666.05 738.46 795.99 861.11 938.71 1005.66 1042.37 1108.94 1122.23 1171.48 1229.99 1291.88 1381.01 1401.31 1442.50 1497.29 1509.63 1540.62 1573.76 1621.03 1671.80 1674.61 1677.73 1704.54 1756.20 1892.75 1949.67 2006.58 2105.64 2164.88 2215.03 2250.88 2302.91 2337.37 2339.67 2589.76 2718.41 3476.35 3690.17 4621.33 4716.46 4719.45 4798.06 4823.31 4875.37 4876.96 4910.84 4914.16 5273.99 0.187544 0.198498 0.199443 0.148405 -459.864308 -459.853353 -459.852409 -459.903446 1.711789D-04
MUNgauss RevisionA2.1 retrievium 05-Apr-2022 GDB_13 Smiles: CC#CC12C=CC(=C)C1C2C#C RHF 6-31G(d) (6D,10F) C1 154.078250 |X|Y|Z| 25.612672 37.639522 14.346859
24.004092 6 6 6
|36.858105| |12.973366|36.858105| |7.171869|16.037499|36.858105| |4.642178|7.228800|13.159594|36.858105| |3.806789|5.277539|7.475638|12.675212|36.858105| |3.120996|4.059300|5.307707|8.136777|14.376019|36.858105| |3.053563|3.954851|5.157754|7.895316|8.232859|12.893754|36.858105| |2.582434|3.176822|3.874504|5.151182|5.319531|7.593329|14.410479|36.858105| |3.725727|5.142492|7.298522|12.640272|8.011362|8.017769|12.706720|7.546651|36.858105| |3.750996|5.180992|7.345973|12.496592|7.543886|6.468104|7.428317|5.242474|12.618580|36.858105| |3.829283|5.020288|6.302315|7.374265|4.951436|4.349095|4.952158|4.002092|7.476505|13.158416|36.858105| |3.651813|4.442321|5.030119|5.200389|3.819429|3.424238|3.834630|3.289680|5.261884|7.230471|16.048298|36.858105| |17.571235|9.038072|5.958790|4.143265|3.338404|2.820720|2.846444|2.451966|3.514365|3.577956|3.861558|3.858896|0.500000| |17.569642|9.013866|5.937952|4.138705|3.552483|2.993068|2.927261|2.515919|3.454207|3.319398|3.297364|3.127702|0.301169|0.500000| |17.569545|9.019829|5.940316|4.142148|3.572220|2.911767|2.774599|2.358851|3.288376|3.427280|3.489059|3.354995|0.301345|0.301093|0.500000| |3.809174|5.083833|6.586138|8.418327|17.746754|8.886033|5.678336|4.159752|5.593868|5.746994|4.220022|3.407730|0.090885|0.098758|0.103296|0.500000| |2.721929|3.384260|4.167910|5.635728|8.909175|17.737109|8.462251|6.640452|5.593440|4.846981|3.542706|2.902133|0.068595|0.073509|0.071749|0.204361|0.500000| |2.323449|2.793399|3.320709|4.242575|4.704026|6.832288|9.096398|17.710892|5.449341|4.219775|3.327182|2.806865|0.061032|0.063454|0.059766|0.107349|0.193832|0.500000| |2.487908|3.008613|3.585858|4.529417|4.324229|5.474689|9.082302|17.718362|6.800290|4.840924|3.967842|3.347900|0.066859|0.067368|0.062682|0.097075|0.134475|0.288782|0.500000| |3.787612|5.059772|6.611801|8.454601|5.723146|5.731764|8.508464|6.598138|17.749684|8.594370|7.004150|5.363090|0.102303|0.098658|0.090393|0.122441|0.122481|0.134423|0.189186|0.500000| |3.203519|4.198728|5.552328|8.619498|7.264921|6.659013|7.018794|5.161049|8.589003|17.717956|8.945018|5.908747|0.084593|0.079847|0.083883|0.160171|0.144553|0.120079|0.128473|0.171678|0.500000| |3.382175|3.866532|4.125640|4.081830|3.166112|2.878767|3.181495|2.820976|4.121307|5.160738|8.490447|18.028444|0.102369|0.080961|0.087330|0.080436|0.069438|0.068159|0.080629|0.119425|0.124770|0.500000|
459.713547 -2250.444942 806.848605 -65.840740 -1049.723531 589.671684 -460.051847 2.000736 403800000000000A 41A566CDB9FFFFFC 4140B423B063E703 408C7FFFFFFFFFFF 4010000000000000 40E2BF7FFFFFFFFF