Version2.5 2022-04-05T10:00:11Z 10.1021/ja902302h Gaussian16 RevisionB.01 RPOIRIER 08-Feb-2022 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) GDB_13 Smiles: CC(=C)C12CC(=C)CC1C2C#C RHF 6-31G(d) (6D,7F) CC(=C)C12CC(=C)CC1C2C#C C1[X(C12H14)] 72 C1 208 CC(=C)C12CC(=C)CC1C2C#C C#CC1C2C1(CC(=C)C2)C(=C)C CC(=C)C12CC(=C)CC1C2C#C InChIKey=OMWFKGBODIHKFZ-UHFFFAOYSA-N InChI=1S/C12H14/c1-5-10-11-6-9(4)7-12(10,11)8(2)3/h1,10-11H,2,4,6-7H2,3H3 InChI=1/C12H14/c1-5-10-11-6-9(4)7-12(10,11)8(2)3/h1,10-11H,2,4,6-7H2,3H3 CC(=C)C12CC(=C)CC1C2C#C C01[X(C12H14)] 72 C1 208 CC(=C)C12CC(=C)CC1C2C#C CC[C@@H]1[C@H]2[C@@]1(C[C@@H](C2)C)C(C)C CC[C@@H]1[C@@H]2C[C@@H](C)C[C@]12C(C)C InChIKey=QPYKUIJKSMQGTB-WYUUTHIRSA-N InChI=1S/C12H22/c1-5-10-11-6-9(4)7-12(10,11)8(2)3/h8-11H,5-7H2,1-4H3/t9-,10-,11+,12+/m1/s1 InChI=1/C12H22/c1-5-10-11-6-9(4)7-12(10,11)8(2)3/h8-11H,5-7H2,1-4H3/t9-,10-,11+,12+/m1/s1 4.621531087841D+02 -2.412995406143D+03 668.3546438314 -462.4350046 1-A 2023.2154 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| -11.24951 -11.24496 -11.24026 -11.23689 -11.23098 -11.22486 -11.22478 -11.22321 -11.22090 -11.21432 -11.21148 -11.20352 -1.20088 -1.08202 -1.06355 -1.01507 -0.97212 -0.94219 -0.93022 -0.84664 -0.79366 -0.73762 -0.71143 -0.70367 -0.67049 -0.63631 -0.61333 -0.60490 -0.58911 -0.58337 -0.57590 -0.56105 -0.54427 -0.51608 -0.50404 -0.48309 -0.46368 -0.45017 -0.42755 -0.38277 -0.35720 -0.34506 -0.33536 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.16976 0.18100 0.21562 0.22614 0.24544 0.27141 0.27361 0.27982 0.28349 0.29054 0.29959 0.30362 0.31241 0.33402 0.33553 0.34880 0.36396 0.37732 0.38523 0.39620 0.41829 0.43693 0.44676 0.46579 0.48191 0.50702 0.53107 0.55591 0.57340 0.59858 0.62905 0.64378 0.70171 0.72751 0.74483 0.74956 0.76093 0.77990 0.78832 0.81632 0.82279 0.84535 0.85892 0.86376 0.88070 0.88883 0.89232 0.92264 0.92860 0.93355 0.95146 0.96721 0.97029 0.98774 1.00440 1.02259 1.03578 1.05890 1.09176 1.10086 1.10289 1.13072 1.13298 1.13819 1.14664 1.15565 1.17304 1.17710 1.18692 1.19816 1.20879 1.22549 1.23542 1.24129 1.25166 1.26561 1.28802 1.29966 1.34359 1.38761 1.42007 1.43340 1.47316 1.48218 1.53369 1.59386 1.59720 1.61668 1.68938 1.70910 1.74143 1.78049 1.78945 1.82665 1.83425 1.83876 1.88582 1.91944 1.95757 1.96873 1.98516 2.03264 2.06194 2.06559 2.09184 2.09751 2.10501 2.14137 2.20334 2.21500 2.23317 2.25490 2.26792 2.28471 2.29392 2.33903 2.36502 2.39609 2.41729 2.44412 2.46571 2.48704 2.50039 2.53788 2.55223 2.57379 2.60829 2.60926 2.64009 2.66859 2.67799 2.70865 2.71379 2.76917 2.78217 2.80760 2.83945 2.86458 2.89872 2.93265 2.98926 2.99713 3.02031 3.09771 3.10467 3.15674 3.23132 3.24905 3.30613 3.36215 3.37479 3.43334 3.84140 4.55406 4.57199 4.58785 4.64553 4.67638 4.73888 4.78065 4.85421 4.96944 5.08587 5.13506 5.25375 13.74490 0.7002 0.6449 0.3846 1.0266 |XX|YY|ZZ|XY|XZ|YZ| -68.7882 -73.2134 -71.7296 1.2285 1.4297 1.4077 |XX|YY|ZZ|XY|XZ|YZ| 2.4555 -1.9697 -0.4859 1.2285 1.4297 1.4077 |XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| -5.7128 -3.8432 2.8378 -2.6281 -8.0377 -6.2571 -2.8074 4.6164 -3.4015 -4.8084 |XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY| -1484.6209 -872.6478 -360.5220 36.3235 5.2531 25.1259 15.8913 15.3364 -1.2212 -362.4527 -329.3621 -200.1400 24.7458 12.8432 -3.7267 0 |0.62934592|-0.04772362|0.60183627|-0.02133389|-0.00800620|0.60654679|-0.16632044|-0.05645506|-0.03150383|0.62287203|-0.06498863|-0.16491611|-0.03477052|-0.11024491|0.85211751|-0.03278657|-0.03376213|-0.10707171|-0.02304889|0.25232948|0.33139009|0.01174015|-0.02432486|-0.01011186|-0.17677329|0.13304132|0.05083170|0.75714188|0.00439986|-0.02381883|-0.01479046|0.13065992|-0.52881308|-0.18918623|-0.07566577|0.84467801|0.00173058|-0.01586656|0.00269407|0.05058320|-0.18998393|-0.14422185|0.00250791|0.29975237|0.26543608|-0.02680054|0.00392640|0.00085032|-0.24095599|0.03959440|0.00269774|-0.01283939|0.01046192|0.00238474|0.67088985|-0.02291049|0.01160667|0.00060555|0.03662727|-0.10776384|-0.00095733|0.03524949|-0.00543591|-0.00215883|-0.05214989|0.47394957|-0.00868771|0.00182787|0.00466128|0.00286551|-0.00022304|-0.09196569|0.01658069|-0.00635397|0.00626859|-0.08037000|-0.10326856|0.50379594|0.00018542|0.00041802|0.00044553|-0.00691808|0.02309553|-0.02116870|-0.00287573|-0.00115949|-0.00070222|-0.10862095|0.02514576|-0.03061440|0.58217029|-0.00040890|0.00095745|-0.00003588|0.00980750|-0.00641791|0.00354193|-0.00106238|0.00139880|0.00110623|0.02023894|-0.14172787|0.05900155|0.07085659|0.55453885|-0.00032195|-0.00142155|0.00002802|-0.00306313|-0.00504402|0.00671087|0.00297536|-0.00061461|-0.00021652|-0.01886434|0.05409659|-0.13706086|-0.00044543|0.02579278|0.65238437|0.00028308|0.00011457|-0.00017535|-0.00002551|0.00204377|-0.00023314|-0.00025354|-0.00012265|0.00010981|-0.01666340|0.01478880|-0.00438862|-0.16316072|0.04813179|0.04054761|0.62789519|-0.00002820|-0.00033949|0.00008676|-0.00048234|-0.00330332|0.00236073|0.00083997|0.00025401|-0.00001843|0.02733318|-0.01758988|-0.00292167|0.04463959|-0.12010982|-0.02312842|-0.34937341|0.54001489|-0.00008891|0.00001485|0.00044361|0.00017844|0.00309068|-0.00481554|-0.00078075|0.00010254|-0.00003321|-0.01574444|0.00944684|0.00808908|0.04725181|-0.03154725|-0.12693891|0.10483998|-0.18453418|0.63228486|0.00000921|-0.00003130|0.00014354|0.00048837|0.00114876|-0.00098566|-0.00039378|0.00002951|-0.00011493|-0.00309084|0.00101175|0.00241239|-0.01485223|0.01892914|-0.01022911|-0.33133552|0.24338231|-0.14549130|0.62119492|0.00002347|-0.00009132|-0.00006219|-0.00042547|-0.00054261|0.00045797|0.00030314|-0.00001122|0.00003664|0.00187900|-0.00022189|-0.00093835|0.01315007|-0.00408255|0.00632059|0.24323192|-0.29625322|0.15634426|-0.38673099|0.47387756|0.00003088|0.00000878|-0.00021139|-0.00011868|-0.00094281|0.00153471|0.00021655|-0.00003021|0.00008691|0.00392387|-0.00283278|-0.00330851|0.01155269|-0.01067665|0.01470278|-0.14528165|0.15629647|-0.24025896|0.01205617|-0.16035404|0.76044440|0.00024751|0.00003797|0.00021544|0.00115289|0.00218895|0.00429087|-0.00140242|0.00012192|-0.00039833|-0.02317047|0.02440415|0.00984303|0.00083497|0.00327797|0.02240357|-0.09633247|0.00434792|0.00088763|0.00717059|0.00507992|-0.02375443|0.65389529|-0.00004356|0.00041514|-0.00004072|0.00032066|0.00014240|0.00282794|-0.00088164|-0.00010954|-0.00010549|-0.00056477|-0.00025074|-0.00859195|0.00649690|0.00768871|-0.00956530|0.00085961|-0.09835313|0.03196960|0.00023727|0.00239143|0.02276716|0.02883230|0.57295501|-0.00003504|-0.00005009|-0.00013590|-0.00113359|-0.00116205|-0.00347779|0.00100095|-0.00044115|0.00002584|0.01251000|-0.01608192|-0.00122843|0.01061521|0.00118401|-0.02237407|0.00736463|0.02310152|-0.21481128|-0.00184585|0.00524447|-0.01372921|-0.03931396|0.05616237|0.57304414|0.00271008|-0.00051333|-0.00062419|-0.00872422|0.01502705|0.02962447|-0.00308888|-0.00116275|-0.00000158|-0.10081485|0.01909489|0.05534073|0.00277509|-0.00730221|-0.00058263|-0.00599850|0.00989328|-0.01169902|-0.00046991|0.00049124|0.00072426|-0.14102934|0.07094256|-0.01756705|0.45428260|-0.00081537|0.00005567|-0.00060620|-0.00349419|-0.00742773|-0.00888341|0.00381165|-0.00022198|-0.00028998|0.04574293|-0.04619120|-0.03250330|-0.00062166|0.00735804|0.02200204|0.01024591|-0.01243787|0.01245303|-0.00100410|0.00056606|0.00062215|0.06823194|-0.17940587|0.00876002|-0.14623028|0.51508652|-0.00085428|0.00075425|0.00113870|0.00554309|0.00155300|0.00454601|-0.00266991|0.00207414|-0.00020000|0.07932571|0.00448385|-0.19587633|-0.00453961|-0.00427611|-0.03616561|-0.02091093|0.03280331|-0.01041141|0.00242512|-0.00011971|-0.00705008|-0.00682042|0.00413774|-0.09702688|0.11940773|0.03317736|0.74147259|-0.00460945|0.00367933|0.00170571|-0.02179641|-0.02992506|-0.00262311|0.00176551|-0.00145484|-0.00074270|-0.15139765|-0.04824787|0.04006544|0.00909300|0.00589468|0.00501610|0.00116223|-0.00011792|-0.00068648|-0.00063698|-0.00000626|0.00023301|0.01383370|0.01831874|0.00755619|-0.06116727|-0.02020015|-0.06171632|0.59617995|0.00209192|-0.00037139|0.00043086|0.00308602|0.00809371|0.00234602|0.00095416|-0.00124094|0.00002488|-0.08255920|-0.12680221|0.07498628|-0.01558699|-0.01904754|-0.00316528|0.00041248|-0.00017656|0.00021477|0.00058670|0.00032828|0.00022944|-0.01603499|-0.02231544|-0.00740898|0.00457244|-0.17301474|-0.09854637|0.01079494|0.68359912|-0.00281106|0.00079207|0.00093478|0.00431958|-0.00198993|-0.00456643|-0.00085130|0.00004502|-0.00050930|0.01232777|0.03932090|-0.05868156|0.01561599|0.02195231|-0.00051887|-0.00048927|0.00051967|0.00181753|0.00003002|-0.00023418|-0.00074623|0.00614462|-0.00157347|-0.00049247|-0.02958396|-0.05686505|-0.10833361|0.17734121|-0.06367972|0.38486489|-0.00072531|0.00000987|0.00040862|-0.00073255|-0.00163888|-0.00144293|0.00035914|-0.00022068|-0.00017413|-0.02422017|-0.01153188|-0.01604329|0.00214809|0.00231743|0.00078019|0.00050337|-0.00125858|0.00046769|-0.00098675|-0.00055027|-0.00050831|0.00198039|0.00072661|0.00004958|-0.00358548|-0.01708242|0.00365565|-0.26670229|-0.01535990|-0.10454456|1.29692079|-0.00055572|0.00027852|-0.00005517|0.00066996|-0.00105136|-0.00141030|-0.00001952|0.00057807|-0.00013353|-0.01174268|-0.00848947|-0.01107338|-0.00120041|0.00054974|0.00107116|-0.00051719|-0.00273816|0.00020144|-0.00089752|-0.00082010|-0.00030848|0.00088535|0.00120887|-0.00108747|-0.02512015|-0.00417720|-0.00666918|-0.02781402|-0.08836871|-0.01276465|0.23899720|0.17589576|0.00150996|-0.00138865|-0.00080255|0.00167973|0.00565953|0.00120498|0.00021526|0.00028800|0.00022701|0.01481594|-0.01330365|0.01138272|-0.00013344|-0.00077664|0.00094151|0.00040180|-0.00031616|0.00030199|-0.00048691|-0.00018471|-0.00010323|0.00184338|0.00260229|0.00172933|-0.02776524|-0.00066384|-0.01296539|-0.10171710|-0.00524253|-0.13013072|0.61624791|0.12192865|0.43501388|-0.00048035|0.00056778|0.00014428|0.00030824|-0.00184976|-0.00025816|-0.00033610|-0.00006354|0.00008782|0.00162198|0.00508587|0.00026157|-0.00092780|0.00065476|-0.00072219|-0.00053189|0.00054313|-0.00022483|0.00109614|0.00036445|0.00049646|-0.00119095|0.00056168|-0.00017500|0.00040309|0.00628565|-0.00147223|-0.00366034|-0.00902952|-0.00669344|-0.99223037|-0.19798704|-0.48953371|1.35621151|-0.00015332|0.00008046|0.00006824|0.00013186|-0.00041409|-0.00010944|-0.00019464|-0.00005390|-0.00002101|0.00015205|0.00120579|0.00052491|0.00028711|0.00010582|-0.00015498|-0.00014636|-0.00149990|0.00013271|-0.00091767|-0.00053607|-0.00036856|0.00012123|0.00025849|0.00028693|0.00106188|0.00041432|-0.00013384|-0.00121004|0.00866979|-0.00022103|-0.19669592|-0.08817503|-0.10277678|0.26483202|0.12473280|-0.00041525|0.00048673|0.00012673|0.00005162|-0.00153874|-0.00027255|-0.00027410|-0.00024731|0.00005237|-0.00050446|0.00477207|-0.00110272|-0.00030183|0.00023315|-0.00076501|-0.00003667|0.00041321|-0.00056257|0.00066100|0.00030023|0.00042761|-0.00049669|0.00033924|-0.00049447|0.00151003|0.00138502|0.00050996|-0.00811770|-0.00457150|0.00755333|-0.49000543|-0.10353155|-0.30375670|0.67105616|0.13703816|0.41540008|-0.06266346|0.01859779|-0.01103568|0.00512031|-0.02192088|0.01494830|-0.00267935|-0.00099544|-0.00118390|0.00087366|0.00055651|-0.00008025|-0.00084591|-0.00037677|-0.00033281|-0.00002734|0.00020199|0.00006493|0.00006380|-0.00001754|-0.00006881|-0.00004607|-0.00007836|0.00002218|-0.00028165|0.00003857|0.00023261|0.00023052|0.00010209|0.00015747|-0.00004434|0.00009676|-0.00010980|0.00004957|0.00004082|0.00002937|0.06055319|0.01904671|-0.26312092|0.12589659|0.00361713|-0.02314077|0.01066500|-0.00402538|-0.00069252|-0.00072225|0.00068626|-0.00016564|-0.00012904|-0.00048346|-0.00061329|0.00079086|-0.00008091|0.00038648|0.00008535|0.00007696|-0.00003012|-0.00007963|-0.00000780|-0.00013556|0.00004324|-0.00020880|0.00008171|-0.00004409|-0.00014308|0.00006251|-0.00000092|0.00000491|0.00009341|0.00008428|-0.00007426|0.00003170|-0.00006648|-0.02008706|0.28704945|-0.01163441|0.12469695|-0.13061066|0.00268505|-0.01449001|0.00955958|-0.00144093|-0.00112032|-0.00059096|0.00038019|0.00098601|0.00002909|-0.00022047|0.00009481|-0.00046227|0.00014865|0.00002801|-0.00000634|-0.00002237|-0.00004113|0.00000925|0.00005387|0.00013942|0.00013586|-0.00003582|0.00012161|-0.00038132|0.00015742|-0.00010833|0.00002629|-0.00003245|0.00000292|-0.00003033|0.00004178|-0.00000092|0.00003101|0.01580773|-0.13758138|0.13952206|-0.06905108|0.01051698|0.04588336|0.00635173|-0.00427399|-0.02614719|-0.00261351|-0.00168133|-0.00015198|0.00111329|-0.00012346|-0.00037202|0.00003057|0.00011418|-0.00007567|0.00000770|-0.00003478|-0.00005698|-0.00000693|-0.00000889|0.00005801|-0.00008891|0.00011933|0.00010042|-0.00073846|-0.00007011|0.00020621|0.00048223|0.00003751|0.00024840|0.00000412|0.00015241|-0.00008761|0.00009665|0.00002881|0.00006752|0.00053048|-0.00076504|-0.00384739|0.06746990|0.01043770|-0.06694571|-0.05683625|0.00547134|-0.00787291|-0.02789042|-0.00360672|-0.00150893|-0.00060476|0.00122620|0.00010071|0.00039566|0.00000288|-0.00019359|0.00019209|0.00005959|0.00007717|0.00002235|0.00000250|-0.00002854|0.00001748|0.00002831|0.00013604|0.00021641|-0.00051035|0.00025962|0.00005370|0.00030073|0.00001036|0.00024133|0.00004200|0.00009399|0.00003741|0.00003117|0.00001373|0.00002861|-0.00641175|0.00885139|0.03286604|-0.00823758|0.07108495|0.04626460|-0.05551390|-0.31958536|0.00200015|-0.00437036|-0.00890245|-0.00223539|-0.00020347|0.00014027|0.00067194|-0.00064892|-0.00059117|-0.00002872|0.00027328|-0.00005696|0.00002380|-0.00008068|-0.00018497|-0.00005064|0.00004629|0.00010559|-0.00019575|0.00002348|0.00006774|-0.00031268|0.00062480|0.00037902|0.00043408|0.00013215|0.00009882|-0.00003300|0.00020209|0.00017195|0.00003909|0.00001811|0.00004217|0.00387608|-0.00320898|-0.01903050|-0.05180103|0.06338072|0.34724278|-0.31274374|0.09150835|0.02515789|-0.02229201|0.01106405|0.00331567|0.00125490|0.00165521|0.00086394|-0.00181906|-0.00441698|-0.00116416|0.00012970|-0.00025747|0.00031046|0.00004198|0.00001273|-0.00003331|-0.00002842|0.00005738|0.00001484|0.00002091|-0.00012010|0.00000033|0.00089693|0.00011714|-0.00036520|-0.00114351|0.00027297|-0.00090936|-0.00011070|-0.00016738|0.00052639|-0.00026565|-0.00006337|-0.00017983|-0.00051870|0.00109686|-0.00060519|-0.00380268|0.00140818|0.00118758|0.33856377|0.09619486|-0.09366464|-0.00990497|-0.02613014|0.01050495|0.00324620|-0.00061555|0.00070420|0.00040579|-0.00291970|-0.00392185|-0.00173668|-0.00029582|-0.00032501|0.00035438|-0.00004137|0.00012439|-0.00002066|0.00003352|0.00001371|-0.00001315|-0.00002830|-0.00011047|-0.00000944|0.00050546|0.00001699|-0.00006751|-0.00116206|0.00040014|-0.00049695|-0.00012506|-0.00005823|0.00044236|-0.00013859|-0.00001046|-0.00013556|0.03013218|-0.00973532|-0.00496649|0.00570776|-0.00296462|-0.00006158|-0.10152136|0.09860957|0.02714906|-0.01015423|-0.06195257|-0.01266251|0.00568447|0.00043786|-0.00015932|0.00056143|-0.00015747|-0.00093369|-0.00250540|-0.00010175|0.00026869|-0.00000929|-0.00001517|0.00003946|-0.00007483|-0.00006782|-0.00002464|0.00001860|0.00005722|-0.00006992|0.00003136|0.00002668|-0.00005627|0.00022641|0.00038718|-0.00033810|0.00022400|-0.00007774|-0.00005364|0.00010207|0.00027398|-0.00004010|-0.00002200|-0.00003627|-0.01982239|0.00593874|0.00255007|0.03480409|-0.01285768|-0.00065706|-0.02792912|0.01335719|0.05863217|0.00028595|-0.00154561|-0.00011456|-0.00702408|-0.00041088|-0.00090563|-0.35789197|0.07567600|0.01441784|0.00103431|0.00107554|0.00031748|-0.00032373|-0.00007571|0.00040379|0.00001017|0.00009632|-0.00009233|-0.00005850|0.00006538|0.00003872|-0.00005111|-0.00008500|0.00015928|-0.00024028|0.00060210|-0.00025004|0.00060231|0.00023471|-0.00022549|0.00011002|0.00003469|0.00007840|-0.00016774|-0.00002430|-0.00005174|0.00030185|-0.00013614|-0.00006967|0.00034571|-0.00000093|0.00001591|0.00124483|-0.00007523|0.00002524|0.37747634|0.00147994|-0.00046684|0.00392106|0.03333703|-0.00279412|-0.00167036|0.06885099|-0.08382684|-0.01380830|-0.00027644|-0.00273752|-0.00776026|-0.00025900|0.00035037|0.00000211|0.00003359|-0.00000224|-0.00014091|0.00000322|-0.00002471|0.00005760|0.00050664|0.00045342|-0.00027427|0.00102918|-0.00116532|0.00081488|-0.00031663|0.00065420|0.00048352|-0.00002092|0.00005235|-0.00016763|0.00008489|0.00004443|0.00011100|-0.00030025|-0.00037401|-0.00036806|0.00002162|0.00064012|0.00027266|-0.00080216|-0.00051674|-0.00046173|-0.08217569|0.08010145|0.00126889|0.00369766|-0.00769858|0.01328631|-0.00384176|0.00502795|0.01131812|-0.01315665|-0.04882072|-0.00094894|-0.00651925|0.01212685|0.00221647|-0.00050933|-0.00132283|0.00020173|-0.00043605|0.00069203|0.00021208|-0.00010154|-0.00024863|-0.00033512|-0.00039134|0.00036771|-0.00129152|0.00110390|-0.00018166|0.00021541|-0.00006500|0.00014742|0.00007909|-0.00002749|-0.00009552|0.00000330|0.00003977|0.00001695|0.00030133|0.00120018|0.00074151|-0.00045607|-0.00133851|-0.00032905|-0.00029553|-0.00040972|0.00027661|-0.01531978|0.01752161|0.03545323|-0.00062438|0.00193763|0.00001277|0.01125769|0.00823457|0.00390925|-0.20944047|-0.14064199|-0.07020687|0.00029825|0.00029140|0.00112260|0.00016796|-0.00002700|-0.00011790|0.00001816|-0.00005671|0.00008101|0.00002299|-0.00001517|-0.00002147|0.00004049|0.00007657|0.00010394|-0.00010309|0.00041619|-0.00016257|-0.00009924|0.00046339|0.00062380|-0.00009216|0.00003662|-0.00001469|0.00004760|-0.00001546|-0.00001386|0.00044034|0.00014156|0.00005357|0.00026535|-0.00011328|0.00005687|0.00054423|0.00011671|0.00008503|-0.01566449|-0.02138839|-0.01053910|0.21329251|0.00400179|-0.00049672|-0.00638625|-0.02475597|-0.01658683|-0.01122044|-0.13385127|-0.20256359|-0.07633675|-0.00214159|-0.00115541|0.00384666|0.00053292|-0.00037524|-0.00039700|0.00013800|-0.00011598|0.00020912|0.00004735|0.00000517|-0.00005350|-0.00005881|0.00000625|0.00025759|-0.00072491|0.00063742|0.00018779|0.00112301|0.00082207|0.00014223|0.00021721|0.00006701|-0.00013950|-0.00007861|0.00000332|0.00005658|-0.00004921|-0.00005773|0.00017015|-0.00120458|-0.00178706|-0.00065628|-0.00000436|0.00038120|0.00025609|0.00644540|0.00971700|0.00306185|0.15020265|0.21101478|0.00073286|-0.00672799|0.01248345|-0.00960797|-0.00876876|0.00155731|-0.06722687|-0.07666302|-0.08107107|-0.00027948|0.00276879|-0.00745813|-0.00075107|0.00033031|0.00063779|-0.00015059|0.00019922|-0.00022263|-0.00004226|0.00004248|0.00005928|0.00041395|0.00028835|-0.00017527|0.00022995|-0.00077274|0.00029487|0.00031961|-0.00002974|0.00057795|0.00013220|0.00028762|-0.00004811|-0.00014105|-0.00005233|-0.00012191|-0.00165500|-0.00220983|-0.00157193|0.00120058|0.00192499|0.00041197|0.00005234|0.00024035|-0.00009315|0.00176743|0.00158352|0.00414866|0.07468800|0.08717437|0.07146447|-0.00071032|-0.00014940|-0.00039719|0.00006887|0.00013376|0.00051787|0.00024852|-0.00004780|-0.00005939|0.01196827|0.00890871|-0.00223142|-0.21332849|-0.13819901|0.03977684|-0.02189469|-0.01498217|0.00451839|0.00111630|0.00122267|0.00207324|-0.00125060|0.00070394|0.00030265|-0.00015009|0.00003599|0.00076286|-0.00047519|0.00235209|-0.00233897|-0.00054716|-0.00007380|-0.00009300|0.00028874|-0.00005637|0.00024753|-0.00125882|0.00085339|-0.00127137|0.00000514|0.00004620|-0.00003110|0.00007114|0.00017378|-0.00001295|0.00003798|-0.00000492|-0.00007649|-0.00000230|-0.00000796|0.00000784|0.23313913|0.00003828|-0.00056378|0.00034356|-0.00132075|0.00011719|-0.00045272|0.00022098|0.00001157|-0.00036803|-0.02018118|-0.01793891|0.00433650|-0.13213352|-0.17109914|0.03392347|0.01678225|0.01490065|-0.00278481|0.00082802|-0.00009910|-0.00087226|-0.00011901|-0.00108985|-0.00017575|-0.00005319|0.00029060|-0.00038975|0.00316545|-0.00298237|0.00304323|0.00121043|0.00023243|0.00000211|-0.00048384|-0.00003497|-0.00017907|0.00022549|0.00111302|-0.00015951|-0.00007084|0.00013820|-0.00021946|0.00004561|0.00032762|-0.00017500|0.00008576|-0.00005882|0.00012022|-0.00001219|0.00015116|0.00009551|0.14545350|0.18683865|-0.00011697|0.00060630|-0.00041215|0.00066387|-0.00034908|0.00105244|-0.00018071|-0.00011995|0.00002214|0.01928542|0.01634027|-0.00395665|0.04011917|0.03518548|-0.07005710|0.01247284|0.01039447|-0.00232341|-0.00077730|0.00026191|0.00025125|-0.00020742|-0.00134898|-0.00135477|-0.00008352|-0.00093714|0.00103603|-0.00288025|0.00268020|-0.00207786|-0.00075476|-0.00033606|0.00002474|0.00037818|-0.00001740|0.00039508|-0.00099893|-0.00028775|0.00003119|-0.00000469|-0.00004999|0.00000672|0.00005278|-0.00031533|0.00016211|-0.00001375|0.00006408|-0.00010390|-0.00000085|-0.00010353|-0.00003085|-0.04311962|-0.03995169|0.06995468|-0.00029100|-0.00040073|0.00020596|0.00077808|-0.00068272|-0.00059466|-0.00017990|0.00025036|0.00047748|-0.00284500|-0.00420915|-0.01050800|-0.08223585|-0.03454440|-0.07524968|0.00954232|0.01249461|0.02636165|0.00021425|-0.00079758|0.00054181|-0.00338783|0.00109049|0.00177139|-0.00211505|0.00121228|-0.00003914|0.00036951|-0.00024722|0.00196116|0.00066988|0.00011391|0.00017468|-0.00002273|0.00014282|-0.00023036|0.00009779|0.00032719|-0.00020052|0.00001459|0.00009503|0.00000924|-0.00004653|0.00014864|-0.00009455|-0.00001022|0.00002306|0.00006386|0.00005209|0.00013818|-0.00009913|-0.00776897|-0.01166919|-0.02513764|0.08653498|-0.00011728|-0.00018687|0.00003914|-0.00154274|0.00022542|0.00038930|0.00026707|-0.00008339|-0.00037488|0.00762186|0.01241959|0.02597667|-0.03456104|-0.10908585|-0.10536833|-0.00578640|-0.00589055|-0.01356448|0.00089092|0.00110723|-0.00052201|0.00207839|-0.00138025|-0.00012021|0.00305975|-0.00237473|0.00479106|-0.00003202|0.00227618|-0.00232704|-0.00035348|-0.00039661|0.00047289|-0.00017570|-0.00003094|-0.00029741|0.00010995|0.00019454|-0.00011672|-0.00003478|-0.00002830|-0.00006257|0.00001803|0.00011909|-0.00007889|-0.00000777|-0.00007127|-0.00006506|-0.00000849|-0.00009446|0.00008797|-0.00751408|-0.00945375|-0.02163663|0.03720513|0.11287350|0.00007984|0.00013041|-0.00000080|0.00088782|0.00023033|-0.00059435|-0.00055508|0.00017447|0.00024667|-0.00523345|-0.00750455|-0.01897895|-0.07329147|-0.10342690|-0.27151413|-0.00318125|-0.00514156|-0.01170867|-0.00054016|0.00130724|0.00066819|0.00066654|-0.00010501|-0.00066502|-0.00247275|0.00105366|-0.00248285|-0.00030799|-0.00066350|0.00172189|0.00013154|0.00026516|-0.00054457|0.00042221|-0.00011600|0.00075774|0.00003714|-0.00010183|0.00004311|0.00007598|0.00005384|0.00009816|-0.00003719|-0.00003636|0.00005688|-0.00001618|0.00008664|0.00007202|0.00000630|0.00012689|-0.00006567|0.00155438|0.00245358|0.00905385|0.08042584|0.11124679|0.29441549|0.00000140|0.00002609|-0.00003127|0.00001009|-0.00007455|0.00014248|-0.00000132|-0.00000127|0.00001785|0.00013072|-0.00047161|-0.00017653|-0.00246143|-0.00429188|-0.00079582|0.00766855|0.00519853|-0.02600392|-0.06054030|0.00915704|0.02360838|0.00180179|0.00853780|0.00212051|0.00031157|0.00033811|-0.00174188|0.00011042|-0.00008098|-0.00012323|0.00003135|0.00003066|0.00002108|-0.00003847|0.00004747|-0.00004958|-0.00000119|-0.00001156|0.00001029|0.00000804|0.00000703|0.00001069|-0.00000444|-0.00000419|0.00000472|-0.00000175|0.00000984|-0.00002369|-0.00000129|-0.00000421|-0.00000420|-0.00109480|0.00026665|0.00037395|0.00043592|-0.00006621|-0.00052404|0.05089558|0.00000803|-0.00000617|0.00002138|0.00002379|-0.00002324|-0.00001309|0.00002609|0.00001281|-0.00000951|-0.00001509|-0.00010923|-0.00036353|-0.00468038|-0.00398244|-0.00027260|-0.00132590|0.00166343|0.02436373|0.01057990|-0.06350124|0.05664695|0.00812467|0.00637262|0.00208887|0.00010016|0.00032870|0.00031501|0.00001128|-0.00012715|0.00009233|0.00017549|0.00008389|0.00004430|-0.00014521|0.00004956|-0.00017015|0.00000872|0.00001632|0.00000953|-0.00001060|0.00000514|-0.00002306|0.00000247|0.00000191|-0.00000829|0.00000033|-0.00000903|0.00000899|-0.00000276|-0.00000745|0.00000208|-0.00095300|0.00037676|0.00052033|0.00057206|-0.00069291|-0.00111695|-0.01349111|0.05396059|-0.00000499|0.00003346|-0.00003063|0.00009441|0.00000417|0.00012492|-0.00006315|-0.00000048|0.00001177|-0.00000808|-0.00011871|-0.00009607|-0.00029448|-0.00214982|0.00072915|0.00318047|0.00193411|-0.01235765|0.01978269|0.06053362|-0.36240629|-0.00057083|0.00339436|0.00238543|0.00019127|-0.00018925|-0.00089132|0.00003822|0.00001731|-0.00018327|-0.00007336|-0.00000530|0.00000232|0.00007478|0.00003920|0.00011619|0.00001033|-0.00000492|0.00000645|0.00001570|0.00000436|0.00001863|-0.00001867|0.00000251|0.00000594|-0.00001692|0.00002055|-0.00001277|0.00000334|-0.00000355|-0.00000863|-0.00079032|0.00041848|0.00024573|-0.00043715|0.00047388|0.00033825|-0.02098043|-0.06809101|0.38342228|-0.00003221|0.00004199|0.00004898|0.00016483|0.00032705|-0.00044587|-0.00014793|-0.00001933|-0.00003998|-0.00101405|0.00050585|0.00108751|0.00486495|0.00738560|-0.00264050|-0.01281401|0.01127694|0.01554512|-0.22186281|0.11261494|0.11708685|-0.00194350|-0.00499856|-0.00071653|-0.00018558|-0.00024670|0.00030364|-0.00013530|-0.00000173|0.00018436|-0.00000112|0.00002867|-0.00001942|0.00004470|0.00005433|-0.00002813|0.00001233|-0.00000015|0.00000499|0.00000358|-0.00000227|-0.00002037|-0.00002930|-0.00000607|-0.00000822|-0.00003314|0.00000047|0.00007287|0.00001096|0.00000321|-0.00002013|0.00101839|-0.00089424|-0.00052608|-0.00045519|0.00032235|0.00074683|0.00266437|0.00060920|-0.00002247|0.23013049|-0.00001988|0.00003087|-0.00004180|-0.00010233|-0.00022435|0.00022240|0.00005602|-0.00002415|0.00003444|0.00042636|0.00037055|-0.00027703|0.00683745|0.00664828|0.00411318|0.01810974|-0.00453734|-0.01333238|0.11127304|-0.11309880|-0.06408954|-0.00369566|-0.00426310|-0.00258590|-0.00028715|-0.00003014|0.00031611|0.00013241|-0.00012221|-0.00001719|0.00013415|0.00010642|0.00009836|-0.00023506|0.00006289|-0.00003070|-0.00004018|-0.00004526|-0.00000199|0.00000092|-0.00000746|0.00001609|0.00000512|-0.00002167|0.00000750|0.00001031|0.00000389|-0.00004927|-0.00000460|-0.00001335|0.00000838|0.00179144|-0.00099181|-0.00083418|-0.00091519|0.00042815|0.00072431|-0.00515492|0.00651772|0.00372458|-0.12747562|0.10959080|0.00000113|0.00001937|0.00000759|0.00003016|0.00018286|-0.00015002|-0.00005562|0.00000027|0.00000341|-0.00071076|0.00056759|0.00049725|0.00016313|0.00317205|-0.00113218|-0.01371918|0.00890573|0.01418752|0.12093935|-0.06801498|-0.15124008|-0.00127181|-0.00108396|0.00037007|-0.00000895|-0.00025381|0.00018024|0.00001439|-0.00002320|0.00007607|0.00001191|0.00000767|0.00001094|-0.00006367|0.00001115|0.00000587|-0.00000392|-0.00001104|-0.00000043|-0.00000457|-0.00000488|-0.00000233|-0.00000125|-0.00000641|-0.00000343|-0.00000666|0.00000073|0.00003385|0.00000325|0.00001105|-0.00001575|0.00020411|-0.00022490|-0.00022002|-0.00027378|0.00042272|0.00040661|0.02375154|-0.01502143|-0.01183448|-0.12891502|0.07156735|0.14849269|0.00001529|0.00003143|0.00009400|0.00010878|0.00009928|-0.00008408|-0.00002889|0.00001777|0.00004433|0.00094745|-0.00105657|-0.00046523|-0.00137345|-0.00078067|-0.00006678|0.00025184|0.00177198|-0.00093060|0.00128360|0.00049253|-0.00081788|-0.10178768|-0.08242580|-0.05543028|0.01050384|0.01967033|0.01392994|-0.00252277|0.00347222|-0.00104224|-0.00058998|-0.00032826|-0.00052135|0.00056865|-0.00007409|0.00015566|-0.00002260|-0.00001707|0.00002853|-0.00005333|0.00001390|-0.00009005|0.00000267|-0.00003736|-0.00004406|-0.00002351|-0.00002565|0.00001577|-0.00002667|-0.00004180|-0.00005398|-0.00002284|-0.00000601|0.00033459|0.00015169|-0.00013109|-0.00002975|-0.00000194|0.00027264|-0.00000128|-0.00033941|-0.00009599|-0.00011410|0.10439632|0.00003200|-0.00013657|-0.00016190|-0.00030748|-0.00012194|-0.00017872|0.00018182|-0.00002647|-0.00003411|-0.00048009|0.00056189|-0.00023822|0.00006774|-0.00060639|-0.00019761|0.00623813|0.01070592|0.00611208|0.00013617|0.00030427|0.00125661|-0.08051756|-0.21378156|-0.11059040|-0.01337776|-0.02395393|-0.01710561|0.00437674|-0.00352835|0.00232718|0.00073016|0.00062524|0.00106649|-0.00049566|-0.00003915|-0.00030912|0.00002946|0.00004443|-0.00004924|0.00007359|-0.00002355|0.00012200|0.00003142|0.00007154|0.00006216|0.00007368|-0.00000446|0.00000203|0.00001918|0.00009460|0.00007500|-0.00005552|0.00027948|-0.00013501|0.00001981|0.00000684|-0.00014440|-0.00054204|-0.00058940|-0.00026593|0.00024307|0.00006961|-0.00012317|0.08700641|0.23397373|-0.00002733|-0.00006236|-0.00004293|-0.00013805|-0.00018625|0.00001627|0.00008860|0.00004116|0.00003289|0.00012253|0.00027171|-0.00020521|0.00052711|0.00116755|-0.00152184|-0.01582681|-0.02545686|-0.02011436|0.00224406|0.00048048|-0.00042487|-0.05759311|-0.11549107|-0.13672374|0.00242168|0.00453512|0.00354893|-0.00070697|0.00150439|0.00105003|-0.00034552|0.00005250|-0.00026210|0.00016474|-0.00004191|0.00012802|0.00004132|0.00001228|-0.00009632|0.00003580|-0.00005382|0.00009498|-0.00000710|0.00005684|0.00002514|0.00000545|-0.00001265|-0.00002001|0.00000425|0.00001048|-0.00000746|0.00040472|-0.00024718|-0.00051508|0.00035891|0.00004212|-0.00034677|0.00135513|0.00220066|0.00030742|-0.00152416|-0.00104242|-0.00017063|0.06388841|0.12207960|0.14617374|0.00003073|0.00006919|-0.00001113|0.00041612|0.00056845|0.00104294|-0.00044202|-0.00001562|-0.00000220|-0.00212680|0.00091035|-0.00250586|-0.00016638|-0.00002461|-0.00122801|0.00434220|0.00133653|-0.00099054|0.00067212|0.00048918|-0.00071570|-0.30463826|-0.04876547|0.08906360|-0.01682169|-0.00244060|0.00746671|0.00184506|-0.00067317|-0.00071491|-0.00001374|0.00047908|0.00049630|0.00052395|-0.00001427|0.00006844|0.00001460|-0.00001433|-0.00001115|0.00005461|0.00000017|0.00003174|-0.00005266|0.00001404|0.00002390|-0.00005733|0.00014269|-0.00009563|0.00000953|-0.00002560|0.00006483|-0.00002485|-0.00009246|0.00011490|0.00012426|-0.00013590|0.00004749|0.00044922|0.00011051|0.00015939|-0.00011165|-0.00072082|-0.00002316|-0.01250610|-0.00355632|0.00384316|0.32921044|-0.00007279|-0.00012968|-0.00003113|-0.00058143|-0.00081683|-0.00192986|0.00069577|-0.00002316|0.00006897|0.00570714|-0.00299985|0.00106880|0.00096694|-0.00089374|0.00134013|-0.00776685|-0.00114276|0.00124338|0.00021670|0.00082802|0.00091749|-0.05089796|-0.06968178|0.01963959|0.02913586|0.00744300|-0.01357557|-0.00173433|0.00280839|0.00045835|0.00013801|-0.00045668|-0.00033092|-0.00056013|0.00010753|0.00001561|0.00002905|0.00005067|-0.00004887|-0.00001538|-0.00003285|0.00003638|0.00003687|0.00003585|0.00000037|0.00006816|-0.00024155|0.00017782|-0.00000946|0.00004216|-0.00012207|0.00009328|-0.00001328|-0.00022323|-0.00019296|0.00016703|-0.00006721|0.00023464|0.00002953|-0.00012959|0.00028650|-0.00031228|0.00002995|-0.02750608|-0.00423828|0.01002351|0.05160388|0.06969782|-0.00002271|0.00004905|-0.00005143|0.00002335|-0.00025835|0.00034006|-0.00000186|0.00002146|0.00007479|-0.00044047|0.00079635|-0.00146907|-0.00043986|0.00039342|-0.00429747|0.03363123|0.00601900|-0.01172864|0.00005960|-0.00156889|0.00058206|0.08683499|0.01882791|-0.08839150|-0.00533286|-0.00144539|0.00289789|0.00131825|-0.00059912|-0.00009312|0.00046533|0.00016950|0.00031962|-0.00043621|0.00023520|0.00007592|-0.00001430|-0.00004245|-0.00001411|0.00002205|-0.00001761|0.00004262|-0.00001171|-0.00000518|0.00002036|-0.00000385|0.00002109|-0.00005833|0.00000338|-0.00000231|0.00000039|0.00049379|-0.00003114|-0.00018360|0.00080723|-0.00035256|-0.00035676|-0.00107156|-0.00112510|-0.00004105|-0.00001657|0.00144176|0.00053702|-0.01968604|-0.00287679|0.00831824|-0.09606073|-0.01937304|0.09377751|-0.00012259|-0.00008129|0.00015285|0.00137736|-0.00127813|-0.00226659|0.00016788|0.00012411|-0.00009538|0.01581525|-0.00669580|0.01895056|-0.00046161|0.00273710|0.00393882|-0.00264215|0.00306262|0.00229541|0.00062684|-0.00007472|-0.00135594|-0.00493932|-0.00057668|-0.01769128|-0.12261318|0.03362336|-0.12963725|-0.00873940|0.00494951|-0.01253328|0.00125469|-0.00171216|-0.00241277|-0.00092275|-0.00015838|-0.00016528|0.00004819|0.00007944|0.00000049|-0.00048439|-0.00027953|0.00009910|0.00000919|-0.00002749|-0.00020823|-0.00002324|-0.00008792|0.00013762|-0.00002056|-0.00000481|-0.00006378|-0.00000598|-0.00017467|0.00007491|0.00050824|-0.00137071|0.00099233|-0.00033154|0.00004470|-0.00027840|0.00016339|0.00001301|0.00003989|0.00119969|-0.00032089|0.00072472|-0.00079332|0.00017025|0.00003579|0.11996246|0.00017404|-0.00004423|0.00035845|0.00052670|0.00101368|-0.00103308|-0.00015608|-0.00011465|0.00003644|0.00350394|-0.00557021|0.00163134|0.00026610|-0.00019021|0.00113641|0.00395078|-0.00411816|0.00010276|-0.00031027|-0.00013176|0.00204332|0.00683168|0.00045017|0.02412652|0.03316474|-0.06441379|0.04586963|-0.01429926|0.00385949|-0.02806870|0.00352105|-0.00166562|-0.00358225|-0.00184969|-0.00010395|-0.00043303|0.00000634|0.00002145|-0.00004173|-0.00027089|-0.00000456|-0.00012509|0.00006116|0.00000479|-0.00011006|0.00001072|-0.00001490|0.00009599|-0.00008581|0.00004359|-0.00004051|-0.00006727|-0.00004121|0.00020997|-0.00008839|-0.00019834|0.00050012|0.00038153|-0.00027317|0.00028760|-0.00005863|-0.00002095|-0.00008048|-0.00103523|0.00120863|-0.00012786|0.00073216|-0.00042954|-0.00012520|-0.03315953|0.06898691|0.00056628|-0.00038953|-0.00076728|-0.00123276|0.00135400|0.00186088|0.00029512|-0.00028937|0.00019769|-0.01327263|0.00229718|-0.01458793|-0.00012920|-0.00285715|-0.00249704|0.00093266|-0.00061215|-0.00054768|-0.00021690|0.00014226|0.00037662|0.00207997|-0.00136063|0.00482289|-0.12641047|0.04424636|-0.29724121|0.00005717|-0.00020489|-0.00617357|0.00121029|0.00028076|0.00003339|-0.00015325|-0.00004530|-0.00000947|-0.00009502|-0.00003854|0.00015798|0.00031812|0.00034305|0.00055778|0.00013738|0.00019426|0.00031106|0.00010501|0.00001375|-0.00011776|-0.00003821|0.00011523|0.00005599|0.00005772|0.00020052|-0.00009399|-0.00026247|0.00116605|-0.00080161|0.00002960|-0.00007649|0.00010765|-0.00006718|0.00003202|0.00000265|-0.00010738|0.00086117|0.00058918|-0.00005570|0.00047160|-0.00014751|0.13687362|-0.04512138|0.31318708|0.00026690|-0.00020171|-0.00009810|0.00107522|0.00051497|0.00162688|-0.00129291|-0.00013172|0.00064748|0.01139072|-0.02139300|0.00862447|-0.00381501|-0.00290295|-0.00141263|-0.00007446|-0.00008194|0.00035083|0.00027877|-0.00002616|-0.00000979|0.00018379|0.00069417|0.00116085|-0.00309432|0.00188651|-0.00191715|-0.10455546|0.10577638|-0.05383563|-0.01691195|0.02669322|-0.01458997|-0.00121203|-0.00177553|-0.00057343|0.00005934|0.00011836|0.00002151|0.00006221|-0.00001494|0.00006466|0.00004332|0.00008784|0.00004667|0.00009519|0.00013294|-0.00000946|-0.00038449|0.00008600|0.00048636|0.00056320|-0.00115338|0.00092156|-0.00006233|0.00029354|0.00007019|-0.00003308|-0.00002501|0.00000577|0.00004505|-0.00006629|-0.00000983|-0.00012802|0.00034935|-0.00006266|0.00005850|-0.00003312|-0.00016031|0.00101223|-0.00169432|-0.00066025|0.11629182|-0.00014056|0.00005803|-0.00003339|0.00165764|-0.00007173|0.00022401|-0.00014959|0.00098062|-0.00064518|0.00424549|-0.01142374|0.00234526|-0.00174361|-0.00077448|-0.00173873|0.00008901|0.00021493|-0.00011889|0.00017466|-0.00001817|0.00013671|-0.00360434|-0.00150568|-0.00113408|0.00655193|-0.01779857|0.00948559|0.09962632|-0.27986788|0.09928753|-0.00206297|0.01141776|-0.00297904|-0.00136133|-0.00077935|-0.00057187|0.00012263|0.00013458|-0.00002312|0.00004576|-0.00000602|0.00004290|-0.00006245|0.00001516|-0.00001007|0.00004922|0.00030325|-0.00011274|0.00045517|0.00026625|0.00028791|0.00030560|-0.00039676|0.00038081|-0.00003200|0.00016220|0.00007574|0.00000187|-0.00003463|0.00004912|0.00001560|-0.00003599|-0.00001780|0.00068485|-0.00087775|0.00020946|0.00006334|0.00022392|-0.00009488|0.00108825|0.00168464|-0.00073098|-0.10611491|0.29850182|-0.00014041|0.00019972|0.00026085|-0.00227904|-0.00195803|0.00077147|0.00054706|0.00013504|0.00033848|-0.01117736|0.01901436|-0.00948107|0.00418443|0.00273019|0.00070307|0.00051483|-0.00031266|-0.00078384|-0.00010356|0.00007421|0.00042328|-0.00457427|-0.00375045|-0.00186417|0.01376719|-0.02644738|0.01234947|-0.05236359|0.10190513|-0.09133456|-0.00935191|0.01303017|-0.00716387|-0.00068216|-0.00070605|0.00015139|-0.00012804|-0.00019068|-0.00004673|-0.00003047|-0.00012096|-0.00012241|-0.00005194|-0.00009771|-0.00005040|-0.00025362|-0.00030329|-0.00010741|0.00036474|-0.00032886|-0.00082810|-0.00049474|0.00126845|-0.00088093|-0.00009092|-0.00022667|0.00019342|0.00005573|-0.00006247|0.00008440|-0.00007888|0.00002481|-0.00002773|0.00098156|-0.00157243|0.00018530|-0.00000465|0.00038323|-0.00007688|0.00227241|0.00226997|0.00071951|0.05907183|-0.10443944|0.09643733|0.00005322|-0.00005650|-0.00003220|0.00001198|0.00020648|0.00004299|0.00000341|-0.00001236|0.00000063|0.00029540|-0.00044964|0.00013551|-0.00003265|-0.00009175|-0.00000418|0.00002741|-0.00001559|-0.00001948|0.00002509|0.00003073|-0.00000307|0.00009659|0.00002131|0.00000686|-0.00066136|-0.00005310|-0.00016230|0.00196682|-0.00058583|-0.00225768|0.00351224|-0.00008268|-0.00052584|-0.35927363|-0.06540068|-0.17240299|-0.00000655|0.00000626|-0.00000233|-0.00000660|0.00000442|0.00001319|0.00003382|0.00001349|0.00001085|0.00002642|0.00000187|-0.00000151|-0.00000902|0.00001797|-0.00000046|0.00000942|0.00004204|0.00001033|-0.00007300|-0.00002933|0.00004486|-0.00000747|-0.00002095|0.00000415|-0.00001787|0.00002373|0.00002341|-0.00000261|0.00004457|0.00000110|0.00000345|-0.00001258|0.00000406|-0.00004537|-0.00005555|0.00003850|0.00013779|0.00009441|0.00004580|0.35393308|0.00004972|-0.00001982|-0.00000856|-0.00009401|0.00008791|0.00008654|0.00005492|-0.00004899|0.00001578|0.00028457|0.00028060|0.00043752|-0.00003822|-0.00007099|-0.00006734|-0.00006891|0.00026650|-0.00006595|0.00030345|0.00006968|0.00014344|-0.00013488|-0.00009561|0.00001016|0.00086043|0.00007443|0.00011031|-0.00076011|0.00638125|-0.00046684|-0.00132356|0.00511371|-0.00087438|-0.06448347|-0.04410284|-0.03309712|-0.00002092|-0.00002054|0.00000238|-0.00001664|-0.00000730|-0.00001662|0.00002204|-0.00000210|-0.00000293|0.00000892|-0.00001210|-0.00000634|-0.00001032|0.00000185|-0.00000985|0.00003696|-0.00001359|0.00000213|-0.00005404|-0.00001153|-0.00000490|-0.00004273|-0.00006294|0.00002125|-0.00001248|-0.00008031|-0.00003244|0.00002833|-0.00001839|0.00003452|-0.00004039|-0.00002166|-0.00005676|0.00011036|0.00006189|0.00000823|-0.00101829|-0.00037243|-0.00051820|0.06635928|0.03262331|-0.00005259|0.00002574|0.00004808|-0.00010385|-0.00021091|-0.00009702|0.00002953|0.00002130|-0.00003786|-0.00080804|0.00013186|-0.00070072|0.00010067|0.00010597|0.00007929|-0.00001601|-0.00002857|0.00006127|-0.00003442|0.00000851|-0.00000164|-0.00007580|-0.00010284|-0.00003072|0.00061117|-0.00045400|0.00046679|-0.00227191|-0.00038728|0.00505031|-0.00027672|-0.00019916|0.00426470|-0.17257438|-0.03360684|-0.11866872|0.00000007|0.00000331|-0.00000156|-0.00000058|-0.00000318|-0.00001694|-0.00001003|-0.00001616|-0.00001043|0.00000567|-0.00000734|0.00001236|-0.00000657|0.00000185|0.00002653|-0.00000538|0.00002566|-0.00002565|0.00005881|0.00000488|-0.00001213|0.00002418|0.00003950|-0.00004437|0.00000836|-0.00002889|-0.00001469|0.00001228|0.00001833|-0.00001880|-0.00000404|-0.00004369|-0.00007699|0.00011966|0.00022085|0.00000471|0.00024015|0.00012516|0.00015013|0.17502977|0.03435597|0.10959408| 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| 58.7243 76.8000 111.5654 141.6645 157.5713 182.6337 214.5881 316.8943 355.8007 381.5961 402.4575 447.5450 463.1459 575.1265 585.7218 605.5609 636.5100 703.7278 747.5678 777.0408 805.9003 806.4120 822.1851 879.8733 892.5049 942.3386 991.1281 1029.0258 1031.9763 1041.5559 1064.0988 1069.2672 1098.4499 1125.7794 1162.7114 1171.2708 1179.0988 1205.6372 1255.0007 1306.3829 1339.9301 1364.3275 1388.2836 1415.3609 1433.0019 1463.6906 1489.7464 1557.8765 1580.7348 1587.9220 1600.6373 1622.1248 1628.6153 1636.7449 1642.0198 1876.5479 1894.9082 2411.1227 3200.9141 3201.8213 3218.0867 3250.1573 3254.3731 3261.7910 3284.2795 3322.2513 3333.0953 3339.1806 3350.8015 3395.0192 3409.3869 3665.2547 2.7266 3.1643 3.9316 2.6752 2.7469 1.1633 3.1864 2.8549 3.1916 3.0782 2.4336 4.0020 2.2839 3.0782 3.0099 3.0836 2.9058 3.5413 1.2728 1.3177 1.3017 1.2747 2.3634 3.6103 2.4579 3.2154 1.9425 1.6846 1.5040 1.6124 1.8046 1.3382 1.9493 1.5339 2.0001 2.0069 1.5718 1.4961 1.5384 1.2394 1.2058 2.1450 3.1649 2.0195 1.6463 1.9092 1.4825 1.3047 1.4807 1.2012 1.7709 1.0953 1.0814 1.1362 1.0646 4.9850 5.6973 5.7730 1.0393 1.0677 1.0645 1.0992 1.0979 1.1013 1.1019 1.0627 1.0632 1.0890 1.0898 1.1169 1.1167 1.1685 0.0055 0.0110 0.0288 0.0316 0.0402 0.0229 0.0865 0.1689 0.2381 0.2641 0.2322 0.4723 0.2886 0.5999 0.6084 0.6662 0.6936 1.0333 0.4191 0.4688 0.4981 0.4884 0.9413 1.6468 1.1535 1.6823 1.1243 1.0510 0.9437 1.0306 1.2039 0.9015 1.3857 1.1454 1.5931 1.6221 1.2875 1.2813 1.4276 1.2462 1.2755 2.3524 3.5939 2.3836 1.9918 2.4099 1.9385 1.8656 2.1800 1.7846 2.6732 1.6980 1.6899 1.7933 1.6913 10.3426 12.0531 19.7736 6.2742 6.4490 6.4950 6.8414 6.8508 6.9034 7.0028 6.9107 6.9594 7.1539 7.2093 7.5852 7.6480 9.2491 0.0116 0.1101 0.0821 0.0779 0.0221 0.2798 0.0631 0.3579 1.8044 3.1444 0.9664 2.6434 5.2586 3.0656 7.0780 7.2884 5.2609 0.6635 3.9041 50.1572 36.4481 10.1574 2.7216 1.9346 6.2514 4.9122 0.6999 6.9111 25.6936 8.3327 9.6737 39.4827 1.8490 1.7803 2.6393 4.2512 0.9237 1.8236 4.0419 1.6513 2.9184 1.8396 6.0185 4.2532 7.9195 2.9445 2.5285 3.9254 1.3221 3.3994 3.7408 1.2053 5.2994 5.2389 6.2264 13.2303 13.7482 6.9203 23.5169 38.5276 31.7363 39.6442 20.5919 18.9983 34.3052 15.2989 11.5095 8.5295 23.5593 19.9321 21.9818 63.0188 4.1033 3.7246 6.3575 4.8983 1.7166 0.7314 2.5796 2.2491 2.1344 9.2911 3.0317 6.5038 10.6975 5.4312 4.2983 3.2627 1.6712 4.9238 12.9535 3.7645 1.8654 4.4200 5.1320 17.5876 8.4543 2.5120 6.4145 3.3737 3.5089 8.3882 7.5939 2.5798 9.4845 7.6132 3.4374 4.0613 1.5591 4.8337 1.7553 2.5469 8.3899 4.5419 5.1883 2.4400 5.8211 3.5549 3.7310 19.8184 21.4232 22.0121 36.1430 8.8866 11.3384 15.7526 9.7278 48.8901 33.9435 173.5344 69.0953 91.7644 125.2850 47.4929 71.0309 56.1429 74.6249 106.0905 106.8431 44.6241 143.0953 78.5022 73.9076 27.5937 0.7482 0.7471 0.7460 0.6849 0.6608 0.6478 0.6938 0.5580 0.1995 0.6713 0.6557 0.7013 0.7058 0.0758 0.4733 0.3066 0.5571 0.4569 0.7416 0.7492 0.3976 0.7008 0.4852 0.1271 0.3408 0.4613 0.6541 0.7477 0.2311 0.5379 0.5253 0.6679 0.6780 0.4890 0.7432 0.7299 0.6611 0.6674 0.7151 0.6833 0.6477 0.2818 0.5961 0.4179 0.4118 0.7218 0.5870 0.7492 0.7081 0.7263 0.0907 0.5791 0.7085 0.6862 0.5617 0.2184 0.3076 0.2930 0.0213 0.1841 0.0777 0.6096 0.5652 0.7357 0.6735 0.1106 0.1544 0.7365 0.1506 0.7471 0.7231 0.2441 0.8560 0.8553 0.8545 0.8130 0.7958 0.7863 0.8193 0.7163 0.3326 0.8033 0.7920 0.8244 0.8275 0.1408 0.6425 0.4693 0.7156 0.6272 0.8516 0.8566 0.5690 0.8241 0.6534 0.2255 0.5084 0.6314 0.7909 0.8556 0.3755 0.6995 0.6888 0.8009 0.8081 0.6568 0.8527 0.8439 0.7960 0.8005 0.8339 0.8119 0.7862 0.4396 0.7469 0.5895 0.5833 0.8384 0.7397 0.8566 0.8291 0.8415 0.1663 0.7334 0.8294 0.8139 0.7194 0.3584 0.4704 0.4532 0.0417 0.3110 0.1442 0.7575 0.7222 0.8477 0.8049 0.1992 0.2675 0.8482 0.2618 0.8552 0.8393 0.3924 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 1314.97668 2239.10074 2864.20782 0.99996 -0.00830 0.00323 0.00827 0.99992 0.00953 -0.00331 -0.00950 0.99995 1 0.06587 0.03868 0.03024 1.37245 0.80601 0.63010 84.49 110.50 160.52 203.82 226.71 262.77 308.74 455.94 511.92 549.03 579.05 643.92 666.36 827.48 842.72 871.27 915.80 1012.51 1075.58 1117.99 1159.51 1160.25 1182.94 1265.94 1284.12 1355.82 1426.01 1480.54 1484.78 1498.57 1531.00 1538.44 1580.42 1619.75 1672.88 1685.20 1696.46 1734.64 1805.67 1879.59 1927.86 1962.96 1997.43 2036.39 2061.77 2105.92 2143.41 2241.44 2274.32 2284.67 2302.96 2333.88 2343.21 2354.91 2362.50 2699.93 2726.35 3469.07 4605.40 4606.71 4630.11 4676.25 4682.32 4692.99 4725.35 4779.98 4795.58 4804.34 4821.06 4884.68 4905.35 5273.48 0.237483 0.248678 0.249622 0.200395 -462.197522 -462.186326 -462.185382 -462.234609 1.651082D-04 MUNgauss RevisionA2.1 retrievium 05-Apr-2022 GDB_13 Smiles: CC(=C)C12CC(=C)CC1C2C#C RHF 6-31G(d) (6D,10F) C1 158.109551 |X|Y|Z| 24.681782 33.837660 16.402314 23.927316 6 6 6 |36.858105| |12.610634|36.858105| |7.687817|14.416538|36.858105| |7.446270|12.672371|7.710442|36.858105| |5.789092|7.339750|5.393687|12.451048|36.858105| |4.428249|5.034090|3.946563|7.811979|12.524771|36.858105| |3.481480|3.799995|3.170818|5.142878|7.552317|14.464678|36.858105| |4.509144|5.020070|3.890978|7.707497|7.676857|12.525742|7.549735|36.858105| |5.758037|7.219750|5.258126|12.681846|7.785536|7.896176|5.179167|12.555331|36.858105| |4.969381|7.315699|6.177276|12.610240|7.381354|6.445646|4.628333|7.309774|12.617793|36.858105| |3.715999|4.964156|4.584308|7.298483|6.320748|6.180370|4.900283|6.224393|7.306978|13.129352|36.858105| |3.050595|3.856576|3.686423|5.141316|5.024934|5.187603|4.613574|4.954716|5.146015|7.220785|16.040565|36.858105| |17.540357|8.818395|5.952709|6.722048|6.288845|4.751625|3.794224|4.527438|5.217966|4.440001|3.509051|2.945117|0.500000| |17.532861|8.857285|5.973545|6.713262|5.138346|4.344000|3.409406|4.816425|6.220614|4.866370|3.602898|2.956005|0.303110|0.500000| |17.583913|8.841050|7.312756|5.465051|4.490273|3.558271|2.929114|3.597076|4.435795|4.083781|3.191171|2.688866|0.301681|0.300958|0.500000| |7.029467|9.085986|17.705240|5.501885|4.276443|3.290170|2.736384|3.258476|4.177841|4.615858|3.650807|3.064916|0.152398|0.152790|0.222263|0.500000| |5.489571|9.082283|17.715593|7.039243|5.124162|3.842973|3.135379|3.752313|4.992518|6.673472|5.221674|4.199656|0.128362|0.128716|0.143812|0.289172|0.500000| |6.537167|7.096644|5.138894|8.859095|17.540665|8.856853|6.471069|6.143906|6.117281|5.454460|4.663927|3.912182|0.227053|0.153857|0.139070|0.118949|0.128021|0.500000| |4.743728|6.153395|5.160625|8.728707|17.570560|8.766162|6.801856|5.733860|5.851900|6.554083|6.482982|5.481867|0.140381|0.115177|0.109336|0.114692|0.145497|0.302876|0.500000| |3.258334|3.546096|3.040417|4.543914|6.848384|9.096277|17.697380|5.434870|4.248559|4.032612|4.335091|4.226543|0.100167|0.086309|0.077709|0.073733|0.083975|0.174425|0.193872|0.500000| |3.036443|3.242517|2.756975|4.221990|5.436094|9.097965|17.697272|6.846059|4.568293|4.023333|4.310954|4.194488|0.090489|0.084746|0.072155|0.067156|0.075956|0.134741|0.137889|0.289048|0.500000| |4.509606|4.557237|3.525076|6.131174|6.165743|8.839476|6.433625|17.517520|8.916826|5.436600|4.614156|3.864078|0.128782|0.140523|0.100168|0.084656|0.091840|0.156338|0.130258|0.134254|0.172937|0.500000| |3.635975|4.062816|3.355538|5.772178|5.722575|8.773319|6.820983|17.565666|8.728545|6.425155|6.271733|5.308713|0.100172|0.107548|0.084063|0.079360|0.092684|0.129963|0.132849|0.138106|0.194864|0.302134|0.500000| |5.806880|6.601087|4.984690|8.465538|5.612634|5.633726|4.119953|8.511724|17.700675|8.643814|5.545959|4.191219|0.138541|0.193441|0.127149|0.114754|0.127788|0.136196|0.124549|0.096674|0.105494|0.215084|0.190735|0.500000| |4.775021|7.011973|6.713407|8.724405|5.439720|4.752403|3.670743|5.430989|8.747084|17.714019|9.019287|5.958737|0.113269|0.131141|0.113983|0.140175|0.211562|0.122848|0.140093|0.091451|0.091399|0.123172|0.138920|0.219051|0.500000| |2.625353|3.203252|3.111422|4.040207|4.118178|4.332392|4.151675|4.068858|4.043307|5.155864|8.488535|18.029140|0.071248|0.070743|0.065384|0.073972|0.097526|0.093153|0.126626|0.109202|0.108295|0.092021|0.123202|0.095194|0.125636|0.500000| 462.153113 -2412.995470 887.384238 -67.331577 -1130.789695 668.354692 -462.435003 2.000610 4037FFFFFFFFFFF7 419136E42FFFFFFA 41299F1817D05F39 409CE00000000001 4000000000000000 40E2BF7FFFFFFFFF