Version2.5 2022-12-21T03:35:17Z 10.1021/ja902302h Gaussian16 RevisionB.01 DOC1ROB 27-Nov-2022 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) GDB_13 Smiles: CC1(CN2NCCCC2=N1)C#N RHF 6-31G(d) (6D,7F) CC1(CN2NCCCC2=N1)C#N C1[X(C8H12N4)] 66 C1 204 CC1(CN2NCCCC2=N1)C#N N#CC1(C)N=C2N(C1)NCCC2 CC1(CN2NCCCC2=N1)C#N InChIKey=MPQZGKCBHMNDOX-UHFFFAOYSA-N InChI=1S/C8H12N4/c1-8(5-9)6-12-7(11-8)3-2-4-10-12/h10H,2-4,6H2,1H3 InChI=1/C8H12N4/c1-8(5-9)6-12-7(11-8)3-2-4-10-12/h10H,2-4,6H2,1H3 CC1(CN2NCCCC2=N1)C#N C01[X(C8H12N4)] 66 C1 204 CC1(CN2NCCCC2=N1)C#N NC[C@]1(C)C[N@@]2[C@H](N1)CCCN2 C[C@@]1(CN)CN2NCCC[C@H]2N1 InChIKey=HMWUKEZCXNOILE-JGVFFNPUSA-N InChI=1S/C8H18N4/c1-8(5-9)6-12-7(11-8)3-2-4-10-12/h7,10-11H,2-6,9H2,1H3/t7-,8+/m0/s1 InChI=1/C8H18N4/c1-8(5-9)6-12-7(11-8)3-2-4-10-12/h7,10-11H,2-6,9H2,1H3/t7-,8+/m0/s1 5.271414337166D+02 -2.663375673898D+03 715.9066814581 -527.6792002 1-A 2051.5795 44 160 204 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -15.61504 -15.60442 -15.55642 -15.54106 -11.32195 -11.30706 -11.27442 -11.27348 -11.25484 -11.25065 -11.24645 -11.22904 -1.37011 -1.26105 -1.20978 -1.12826 -1.09055 -1.05192 -0.96904 -0.91662 -0.86842 -0.85160 -0.76366 -0.72328 -0.71484 -0.65945 -0.65434 -0.63012 -0.61467 -0.59766 -0.57948 -0.57020 -0.56770 -0.54253 -0.54027 -0.52267 -0.51604 -0.50415 -0.47836 -0.46413 -0.44793 -0.43853 -0.40031 -0.34629 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.16655 0.20260 0.22367 0.23135 0.24043 0.24794 0.26512 0.28004 0.29076 0.29693 0.29897 0.30621 0.31762 0.33492 0.35148 0.35694 0.36165 0.37388 0.39208 0.40341 0.41788 0.43754 0.45241 0.48955 0.51610 0.52462 0.56548 0.63829 0.71417 0.72208 0.72825 0.75002 0.75529 0.76625 0.78216 0.79087 0.81425 0.82263 0.84540 0.85852 0.87374 0.88091 0.88575 0.91317 0.92627 0.93673 0.96856 0.97217 0.98590 1.00070 1.01913 1.04421 1.05676 1.07783 1.09184 1.09515 1.11631 1.12410 1.13167 1.14383 1.15032 1.16192 1.17812 1.18516 1.19391 1.20021 1.20464 1.21927 1.22109 1.23632 1.25278 1.27231 1.28413 1.29532 1.34325 1.37223 1.40633 1.44093 1.46070 1.56624 1.58517 1.61032 1.68372 1.69379 1.70311 1.74695 1.75651 1.80217 1.83400 1.84587 1.86915 1.88647 1.90691 1.97714 2.01385 2.05786 2.08474 2.08989 2.12045 2.14075 2.15317 2.17095 2.18465 2.21051 2.22615 2.25914 2.26980 2.29489 2.31666 2.33330 2.33867 2.35456 2.37139 2.38972 2.40762 2.42254 2.43973 2.46724 2.47224 2.53292 2.57914 2.61859 2.63357 2.65864 2.67669 2.71057 2.74860 2.75462 2.76991 2.79174 2.81854 2.85070 2.88687 2.90772 2.93718 2.98742 3.01995 3.05033 3.07358 3.15787 3.17469 3.21126 3.23283 3.24112 3.28973 3.48777 3.52854 3.70746 4.29837 4.49326 4.57127 4.58158 4.61006 4.66381 4.73642 4.75944 4.80455 4.94985 5.02264 5.35901
13.95497
5.5637 -1.8285 -2.1799 6.2490 |XX|YY|ZZ|XY|XZ|YZ| -73.5526 -74.0104 -74.8034 7.1432 11.0198 -0.5611
|XX|YY|ZZ|XY|XZ|YZ| 0.5695 0.1117 -0.6812 7.1432 11.0198 -0.5611
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| 70.2735 -0.4232 -8.9842 5.2223 -12.5109 -32.7189 26.1893 -8.3330 3.4086 1.7665
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY| -2005.9631 -478.7433 -402.0688 14.0574 128.4920 23.9695 -0.2575 52.5308 -12.0665 -392.2439 -432.9513 -137.4112 -28.7402 4.9087 6.6698
0 |0.63708808|-0.01121182|0.66276110|0.05580810|0.02198272|0.58711636|-0.12509134|-0.02278728|0.06011017|0.61649241|-0.01614161|-0.10328973|0.02260917|0.02535538|0.49442402|0.04935397|0.02768287|-0.17987542|-0.01770307|-0.01456244|0.57868133|-0.01121930|-0.01648310|0.00019472|-0.11924818|-0.05929507|-0.01189720|0.54758266|-0.00516568|-0.00263641|0.00375173|-0.03347598|-0.14706349|-0.00894071|-0.08298774|0.68812411|0.01530595|0.02583523|0.00684095|-0.00816228|-0.00648238|-0.09911773|0.06258861|-0.00004836|0.65862508|-0.00161528|-0.00389407|-0.00150511|-0.03616506|-0.01317705|0.01597258|-0.17229448|0.03064571|0.09124892|0.69822972|-0.00283972|-0.00213411|-0.00247983|-0.01446588|-0.01504933|0.01572398|0.02208004|-0.12455216|-0.06138463|0.10370697|0.68691158|0.00100494|-0.00171365|-0.00044812|-0.00289490|0.00854066|-0.00548186|0.05623666|-0.03737378|-0.13960407|-0.14306354|0.08517957|0.23627561|-0.00039382|-0.00162142|-0.00080545|-0.00450722|0.00468415|0.00222503|-0.02873438|-0.02476554|-0.01046489|-0.25184839|-0.11696135|-0.01229421|0.58891546|0.00003891|0.00059186|0.00044569|0.00172075|-0.00248209|-0.00412841|0.00354030|0.00782289|0.01270403|-0.05865658|-0.16273252|-0.00542668|0.04862566|0.46319829|0.00057240|0.00109445|0.00018168|0.00524091|0.00079162|-0.00124178|0.01234958|0.01395778|0.00330762|-0.01023538|-0.00931212|-0.06702762|-0.01971192|-0.23255228|0.57564675|0.00004613|-0.00000949|0.00007830|-0.00090055|0.00022985|0.00046845|-0.00223934|-0.00076775|-0.00339801|-0.04441018|0.01977144|-0.00757169|-0.18691932|0.04329916|-0.04418802|0.64812921|-0.00013413|-0.00044632|-0.00033824|-0.00001633|0.00071334|0.00072603|0.00005640|-0.00373908|-0.00439171|-0.03134409|0.00829081|-0.01243696|0.08258875|-0.16282460|0.07134733|0.09749694|0.60543517|0.00030358|0.00029143|0.00047798|0.00064423|-0.00081356|-0.00066870|0.00137051|0.00251674|0.00226967|-0.00880209|-0.00494564|-0.00274261|-0.00494848|0.02958643|-0.10518872|-0.01379321|-0.04989727|0.65467680|-0.00021621|0.00024284|-0.00004297|-0.00074851|-0.00043801|0.00114408|-0.00061086|-0.00105435|0.00015770|0.00608935|-0.00042665|0.00144442|-0.01613305|0.04092831|0.01655246|-0.10019675|0.00168590|0.00669534|0.61555600|0.00033623|-0.00057437|0.00011410|0.00038944|0.00060507|-0.00147743|0.00017810|0.00047646|0.00013836|-0.00369637|-0.00128081|-0.00011868|0.01984869|-0.02750973|-0.01174096|0.00914922|-0.16673797|-0.05579468|-0.05854698|0.58057586|-0.00007474|0.00001780|-0.00008895|0.00058021|-0.00034757|0.00036984|-0.00002141|-0.00016893|-0.00084022|0.00083160|-0.00130638|-0.00041262|-0.00529953|0.01437671|0.01153913|0.01383885|-0.06382094|-0.15549782|0.00237019|-0.06037238|0.63658827|-0.00090791|0.00117584|0.00009972|-0.00033301|-0.00244800|0.00415923|0.00047046|-0.00302629|0.00056451|0.00878299|0.00255819|-0.00089759|-0.00175026|0.00258108|-0.00054191|0.00578592|-0.00368300|-0.00365733|-0.17584639|-0.05343906|-0.00273969|0.54428411|-0.00065541|0.00109439|-0.00010825|-0.00504618|0.00016326|0.00370390|-0.00174676|-0.00475188|0.00146408|0.03189960|-0.01503693|-0.01249854|-0.00146389|0.00481549|0.00147760|-0.02695322|-0.02072023|-0.00347907|-0.05319154|-0.13634681|0.00302046|-0.00199699|0.62973235|-0.00118035|0.00110143|0.00014328|0.00392709|0.00142989|0.01164159|0.00257968|0.00115889|0.00357399|-0.00357865|0.00095356|0.01134559|0.00054508|0.00301621|-0.00060051|-0.02486384|-0.01600712|-0.00050900|-0.00007743|-0.00151044|-0.09564426|0.00707330|-0.01633714|0.65600084|-0.00170970|0.00166071|-0.00033713|-0.06702616|0.00882459|0.02208841|0.00305326|0.03445586|0.00110538|-0.15746245|0.03157444|0.01524392|-0.00289959|-0.04412231|0.00166133|0.00184712|-0.00433450|0.00067727|-0.02965877|0.01229855|0.00593690|-0.20022443|0.06020098|0.02878649|0.99803305|0.00368220|-0.01026402|-0.00058823|0.02472436|0.02216664|-0.00851104|0.04980825|-0.03367935|-0.00234561|-0.00165443|-0.28901030|-0.04584579|-0.00722789|-0.01763342|0.01456376|-0.00615825|0.01093897|-0.00128193|-0.01737955|0.02114110|0.00767703|0.05920971|-0.14914212|-0.01990645|0.06875726|0.71637787|0.00211307|-0.00176752|-0.00048014|0.02041733|-0.00462417|-0.00327145|0.00613754|-0.02593044|-0.00256437|0.02648529|0.00649401|-0.06200497|-0.00815034|-0.01081215|-0.01683469|-0.00109117|-0.00192174|0.00503398|-0.00187929|0.00497829|-0.00119187|0.03490766|-0.01842558|-0.10684321|-0.22446707|0.00689407|0.31639218|-0.01987989|0.02359375|0.00806394|-0.13038585|0.07732990|0.01867318|-0.00815731|0.00663845|0.00153056|-0.00129210|-0.06962706|0.02381633|0.00410034|0.00050355|0.00061900|0.00123922|-0.00022904|0.00071092|-0.00238159|0.00509104|0.00101386|-0.03010779|-0.01159751|0.01131526|-0.53591508|-0.21135233|0.13451682|0.75951215|-0.00100622|0.00965857|-0.00097164|0.01898620|-0.16919423|-0.01520674|0.00877771|-0.04499298|-0.00216118|-0.04805770|-0.07344565|0.02195349|0.00204410|-0.00508093|-0.00259914|0.00360802|-0.00368750|0.00132058|0.00279186|-0.00339639|-0.00190674|0.01811215|0.01769761|-0.00350479|-0.16244548|-0.22090448|0.04652598|0.15249268|0.49508036|0.02570337|-0.02895086|-0.00529391|0.00775059|-0.02087432|-0.09844632|0.00890996|-0.00906853|0.00379660|0.01633866|0.02171896|0.02565456|0.00096859|0.00367070|0.00841282|-0.00053176|0.00113166|-0.00173579|0.00023794|-0.00251231|0.00072600|0.01162709|0.00267213|-0.00280847|0.13671776|0.05941478|-0.12548813|-0.19340066|-0.04699665|0.18393699|0.01871991|-0.00112622|0.01006497|-0.14409883|-0.00010701|-0.07928044|-0.01750908|-0.00481314|-0.02341214|0.00145804|-0.00004578|0.00030304|0.00033939|-0.00027576|-0.00008633|-0.00006292|0.00026369|-0.00018110|0.00016784|-0.00010331|0.00004987|0.00045341|0.00047013|0.00253170|-0.00157309|0.00673794|-0.00379271|-0.03413804|0.01452644|-0.01830126|0.81765234|0.00551054|-0.00001415|0.01000146|0.00164289|-0.08366883|0.01233692|-0.01869523|0.00345110|-0.03142794|-0.00097671|0.00230026|0.00155766|-0.00075512|0.00051548|0.00084468|0.00011075|-0.00018197|0.00008675|-0.00013240|-0.00002177|-0.00004751|-0.00038372|-0.00020257|-0.00232964|-0.00153783|-0.00880767|0.00320404|0.03293634|-0.00426253|0.02109132|-0.11884412|0.15812553|-0.02073582|0.00559531|-0.04021692|-0.07879529|0.00967139|-0.19257147|-0.00922804|-0.00821346|-0.00670221|-0.00136256|0.00142241|-0.00043404|0.00062359|0.00021381|-0.00041632|-0.00009330|0.00001618|-0.00023421|0.00005646|-0.00021668|-0.00002402|-0.00008682|0.00051009|-0.00073577|0.00132376|-0.00305219|0.00273086|-0.00103325|0.00884136|0.00937678|0.83664294|-0.14700027|1.17515544|-0.00673040|-0.00018511|-0.00136032|0.01721736|0.00119192|-0.00702198|0.00127380|0.00192896|0.00023546|-0.00007317|-0.00130865|-0.00025403|-0.00021948|0.00008360|-0.00011305|0.00017078|-0.00017159|0.00015240|-0.00001269|0.00013664|-0.00005217|-0.00002825|-0.00009935|0.00003459|0.00164927|0.00138373|-0.00051599|0.00023780|-0.00149039|0.00111047|-0.63797340|0.10682671|-0.73019113|0.62313236|-0.00024509|-0.00009882|-0.00088853|0.00220101|0.02109163|0.00077558|0.00172044|-0.00251185|0.00488716|-0.00013477|0.00077452|-0.00082010|0.00012448|-0.00004501|-0.00008996|0.00005446|0.00000540|-0.00000976|-0.00001915|-0.00001633|0.00004062|0.00006005|0.00001299|0.00028837|-0.00023711|0.00036250|-0.00009084|-0.00266225|0.00067547|-0.00188489|0.10669914|-0.06383369|0.13131111|-0.10827747|0.04157349|-0.00111584|-0.00055853|0.00253986|-0.00514270|-0.00052888|0.01428118|0.00031956|0.00367430|-0.00279922|0.00076951|-0.00255914|0.00096466|-0.00045161|0.00004579|-0.00011261|0.00015030|-0.00015165|0.00012416|-0.00002910|0.00021171|-0.00005757|-0.00001971|-0.00017724|0.00062288|0.00199818|0.00472160|-0.00231855|-0.00557720|-0.00175682|-0.00141770|-0.72980219|0.13129662|-0.94368153|0.73964985|-0.13310144|0.93185558|-0.17636040|0.13488563|0.03809608|-0.01131541|0.01523677|0.00001674|0.00015646|0.00037811|0.00000040|0.00049501|-0.00157511|0.00010227|0.00013828|-0.00007659|-0.00020448|0.00000715|0.00003082|-0.00001525|-0.00003375|0.00016842|-0.00003450|-0.00024076|-0.00022924|-0.00020892|0.00123860|0.00317956|0.00000696|-0.00313929|-0.00202509|0.00516294|-0.00000419|-0.00025025|-0.00071061|0.00042429|-0.00009877|0.00019995|0.18665890|0.13620466|-0.21980790|-0.04401933|-0.00760270|0.00791651|0.00240733|0.00017503|0.00036637|-0.00046424|0.00039280|0.00039211|0.00003353|0.00004981|0.00000715|0.00004987|-0.00001526|0.00003506|-0.00000902|-0.00005242|0.00003209|0.00001519|-0.00015546|-0.00013156|-0.00021374|-0.00076262|0.00055623|0.00013254|-0.00024944|0.00002702|0.00152361|0.00056781|0.00035893|-0.00031808|-0.00051277|0.00005791|-0.00002717|-0.15089847|0.23323008|0.03558886|-0.04066125|-0.07355541|0.01743984|-0.02630340|-0.00357897|-0.00037077|-0.00029375|0.00064866|-0.00056016|0.00085842|-0.00038541|-0.00011556|0.00009543|0.00012098|-0.00003943|-0.00002044|-0.00007118|0.00009041|-0.00021385|0.00002288|0.00037013|0.00044238|0.00025937|0.00035831|-0.00292697|-0.00025091|0.00516671|0.00297223|-0.00533422|0.00036515|-0.00103990|0.00091389|-0.00037002|0.00023189|-0.00003402|-0.04377035|0.04667704|0.07347547|-0.13751806|-0.12800171|-0.02179963|-0.01080496|-0.01746924|-0.00420891|-0.00040417|0.00001235|0.00326531|-0.00048766|0.00001020|-0.00010060|-0.00024562|0.00021148|0.00026616|0.00006011|-0.00011643|0.00006831|-0.00002675|-0.00001596|-0.00000963|0.00002412|0.00000342|-0.00000797|-0.00033609|-0.00086177|-0.00003011|0.00182863|0.00060050|-0.00133500|0.00023688|0.00065236|-0.00069583|0.00030239|-0.00001250|0.00029181|0.01603101|0.02149973|0.00313962|0.14277895|-0.13003897|-0.27145332|-0.03519503|-0.00308790|-0.00653739|-0.00160567|-0.00003921|0.00123517|0.00127444|0.00006907|-0.00016912|0.00000246|-0.00017946|0.00012230|-0.00000973|0.00005183|-0.00008140|0.00009161|-0.00001308|0.00002791|-0.00001488|-0.00001592|-0.00003154|-0.00006708|-0.00007885|-0.00010803|0.00008804|0.00066760|0.00124579|-0.00011079|-0.00052424|0.00003117|-0.00015619|0.00056861|0.00016874|0.00009975|-0.01434358|-0.02106656|-0.00356155|0.14305960|0.28941234|-0.02473568|-0.03963180|-0.06634862|0.01812584|0.03072089|0.00454455|0.00213979|-0.00152169|-0.00590192|0.00110047|0.00127242|0.00066860|0.00052066|-0.00031151|-0.00029688|-0.00000316|0.00018552|-0.00018207|0.00001602|0.00000356|0.00002206|-0.00003116|-0.00003897|-0.00001436|0.00001771|0.00100645|-0.00000658|-0.00254287|-0.00060074|0.00163443|0.00053056|0.00108745|0.00138168|-0.00015591|-0.00029544|-0.00007766|-0.00451337|-0.00569518|-0.00157138|0.02258406|0.03921811|0.06821349|-0.17456155|0.02362354|-0.14417444|0.01145111|-0.00317772|0.01869940|0.00122570|0.00008259|-0.00004052|-0.00016872|0.00041494|0.00015013|0.00000454|0.00001525|-0.00005355|-0.00000727|-0.00001847|-0.00000267|0.00000900|-0.00003192|0.00001033|0.00002278|0.00004342|0.00000706|-0.00011818|-0.00071296|0.00007761|0.00210044|-0.00026243|-0.00083546|-0.00261615|-0.00091223|0.00356648|0.00157071|0.00005065|0.00026639|-0.01343225|0.00109293|-0.01767869|-0.01105848|0.00380124|-0.01367661|0.18538870|0.02221405|-0.06429144|0.02790282|0.00551499|-0.00194484|0.00641277|0.00082375|0.00014769|0.00115641|0.00006917|-0.00038565|-0.00041126|0.00005002|-0.00005442|-0.00007979|-0.00004584|0.00003710|0.00001091|0.00001304|0.00001806|0.00000292|0.00000867|-0.00000403|0.00011144|0.00026171|0.00068616|-0.00015774|-0.00028759|-0.00033732|-0.00078984|-0.00119728|0.00037452|0.00158633|0.00036819|0.00014380|0.00002523|0.01619316|-0.00214383|0.02307601|-0.01946090|0.00706035|-0.02573654|-0.02398907|0.06111762|-0.13851548|0.02793690|-0.23087620|-0.02100850|0.00408353|-0.02573339|-0.00119583|-0.00173030|-0.00006936|-0.00017306|-0.00023056|0.00075259|0.00011703|-0.00006235|-0.00011873|0.00002502|0.00002091|-0.00011448|0.00002400|-0.00000579|-0.00001107|0.00001375|0.00008780|-0.00012279|0.00075956|0.00051224|-0.00009914|-0.00107068|-0.00004071|0.00368227|0.00463569|0.00177203|-0.00561723|-0.00142175|-0.00005812|-0.00016378|0.00599721|0.00013107|0.00912458|-0.00212838|0.00000381|-0.00260151|0.15329712|-0.03287426|0.25044003|-0.00033074|-0.00047271|-0.00059701|0.01338362|-0.01785062|0.00884447|-0.10930200|0.09749841|-0.04988487|-0.01595916|0.03193735|-0.00370616|0.00105825|0.00045153|-0.00035080|-0.00044759|-0.00051204|-0.00030929|0.00040608|-0.00017311|-0.00003715|0.00077997|0.00117698|0.00033245|-0.00805791|-0.00270767|0.00123824|0.00063283|-0.00452914|-0.00114942|0.00126331|-0.00072582|0.00004485|-0.00014873|0.00000626|0.00017920|-0.00016993|0.00003787|0.00018130|-0.00043409|0.00004973|0.00023345|0.00000087|-0.00006293|-0.00004907|0.11997069|-0.00081651|-0.00146226|-0.00113517|0.01384887|-0.01612246|0.01016937|0.10040242|-0.26374946|0.09450240|0.00246858|-0.00312884|-0.00123851|0.00052499|0.00021688|-0.00013948|0.00018477|0.00023605|-0.00010944|-0.00013992|-0.00002041|0.00007031|-0.00013027|-0.00012694|-0.00000808|-0.00031597|-0.00202389|0.00013115|0.00017138|-0.00409805|-0.00113935|0.00073456|0.00038453|0.00037524|-0.00023728|0.00055135|-0.00038440|-0.00032112|0.00016891|0.00035821|-0.00054242|-0.00004466|0.00048562|0.00005862|0.00011434|-0.00013455|-0.11354775|0.28150538|-0.00029358|0.00028475|-0.00029976|0.00026674|-0.00434647|0.00002986|-0.05304614|0.10469820|-0.11090048|0.01190827|-0.02339829|0.00952632|-0.00046194|-0.00079908|0.00014631|0.00021855|0.00033832|-0.00033487|-0.00017534|-0.00002420|0.00011673|-0.00044258|-0.00076417|-0.00020404|0.00453293|-0.00187903|-0.00076880|0.00039656|-0.00204666|0.00035581|-0.00004269|-0.00128923|0.00089341|0.00018604|-0.00002146|-0.00000786|0.00020456|0.00000436|-0.00002784|0.00029481|-0.00008017|0.00015345|0.00015094|-0.00013294|0.00041149|0.05016745|-0.09995640|0.11274240|0.00109773|0.00056227|-0.00130999|-0.00791991|-0.00035446|-0.02105825|-0.08367726|-0.01137505|-0.07922576|0.00082283|0.01716112|0.04147345|0.00437357|0.00009831|-0.00116046|0.00012141|0.00069235|0.00032954|0.00017557|0.00001130|0.00008423|0.00011844|0.00035750|-0.00110601|-0.00329099|-0.00819534|0.00373509|0.00333307|-0.00032360|-0.00147034|-0.00183334|-0.00526946|-0.00012581|-0.00035860|0.00076115|-0.00069216|-0.00023161|0.00018918|-0.00002245|0.00016785|0.00016079|0.00020975|0.00009566|-0.00046490|0.00072924|-0.00175167|-0.00313153|-0.01432491|0.08892698|0.00033006|0.00206486|-0.00126282|-0.00813549|-0.00099752|-0.02588644|-0.00813470|-0.07392277|-0.03465362|-0.00065106|-0.00097891|-0.01556452|0.00005729|0.00010881|0.00149476|-0.00012719|0.00032660|-0.00022176|-0.00002386|-0.00004727|0.00003064|-0.00000169|-0.00012883|0.00026475|0.00054256|0.00190134|-0.00094465|0.00064384|-0.00062212|0.00191309|-0.00280416|-0.00470452|-0.00053737|-0.00029197|0.00113717|-0.00092524|-0.00020163|0.00002859|0.00026758|0.00038133|0.00013732|-0.00006930|-0.00009708|-0.00050014|0.00060466|0.00867907|0.00779961|0.02959930|0.00943515|0.06878084|0.00102344|0.00142738|0.00023186|-0.00081327|0.00098731|-0.00017742|-0.07650576|-0.03634037|-0.30929626|0.00755535|-0.01386897|-0.02256351|-0.00138498|-0.00002266|0.00312236|0.00043437|0.00063092|-0.00063974|-0.00022904|-0.00005163|0.00005033|-0.00018073|-0.00028042|0.00043798|0.00224323|0.00618597|-0.00214590|-0.00161323|-0.00176817|0.00097269|-0.00041399|0.00007435|0.00035675|0.00001948|-0.00027904|0.00008118|-0.00038344|-0.00021051|0.00024740|0.00038008|0.00000797|0.00036669|0.00025917|-0.00008560|0.00103780|-0.00543680|-0.00199367|-0.01188729|0.07452752|0.04565695|0.33947922|-0.00030620|-0.00034269|-0.00021978|-0.00084353|-0.00057847|0.00058587|-0.00034230|-0.00526921|0.00057271|-0.02572774|-0.02402193|0.03127378|-0.08213935|-0.03838365|0.06867254|0.00845255|0.01768207|-0.03428371|0.00085026|-0.00073603|-0.00111347|-0.00005939|-0.00002806|0.00029231|-0.00222808|0.00236806|0.00283527|-0.00184924|-0.00152822|-0.00050285|0.00009289|-0.00011274|0.00025626|-0.00010624|0.00011809|-0.00026327|-0.00001969|0.00002384|0.00003494|-0.00009087|-0.00004692|0.00013865|0.00002368|0.00002251|-0.00001688|-0.00032956|0.00039852|-0.00000918|0.00007084|0.00011911|0.00007442|0.10872048|-0.00008914|-0.00014981|-0.00002576|-0.00014545|0.00022490|0.00072288|-0.00009246|-0.00052098|-0.00098111|-0.01559190|-0.01337588|0.01681163|-0.02733601|-0.09599515|0.13155375|-0.00143336|-0.01183959|0.02523327|-0.00224186|0.00017144|0.00143067|-0.00048942|-0.00063068|-0.00026162|-0.00365982|-0.00302673|0.00509673|0.00058932|-0.00056216|-0.00176664|-0.00003267|-0.00007032|-0.00005300|0.00010646|-0.00005809|0.00010530|0.00005789|-0.00001812|-0.00003211|-0.00003281|0.00001358|0.00004163|0.00000257|0.00000358|0.00003353|0.00032251|-0.00010483|0.00014628|-0.00040379|-0.00020334|0.00019565|0.04693350|0.12549697|-0.00001398|0.00006337|0.00000603|0.00031311|-0.00002897|0.00012934|0.00003754|0.00119204|-0.00007499|-0.00340872|-0.01367939|0.01566612|0.07091787|0.19194947|-0.40323750|0.00645512|-0.00168598|-0.01284259|0.00048580|-0.00109440|0.00230325|-0.00012155|-0.00015461|-0.00011852|-0.00192127|-0.00120327|0.00148769|-0.00032355|-0.00100956|-0.00065675|0.00000514|-0.00001320|0.00004023|0.00003899|-0.00000666|-0.00003056|0.00001736|-0.00000648|0.00000157|0.00000891|-0.00000107|-0.00001004|-0.00000180|-0.00000238|0.00000507|0.00017349|0.00012149|0.00000054|-0.00042995|0.00003081|0.00007327|-0.06745391|-0.17610232|0.39638188|-0.00003623|-0.00009144|-0.00011975|0.00012321|0.00013653|0.00030255|0.00019441|-0.00090507|-0.00149380|-0.00510798|0.00324363|-0.00315837|-0.02862311|-0.01832066|0.00294932|-0.24375550|-0.13462319|-0.00593068|0.00809736|0.00437038|0.00027229|0.00013219|0.00139822|0.00155690|0.00044221|0.00324630|0.00024199|-0.00065673|-0.00094169|0.00028218|0.00006340|-0.00000541|0.00005635|-0.00010054|0.00001222|-0.00010945|-0.00002341|0.00001933|0.00001343|-0.00003370|-0.00003083|0.00005449|0.00000770|0.00000276|-0.00000881|-0.00020439|0.00009380|0.00010136|0.00009055|0.00003990|0.00024164|0.00088781|-0.00063869|-0.00116764|0.27074358|0.00002259|0.00012355|0.00005249|0.00016103|-0.00018795|-0.00020815|0.00017113|0.00075866|0.00094194|0.00542586|-0.00049303|0.00186960|0.02288392|0.01566906|-0.00127080|-0.14493762|-0.16724238|-0.00155944|-0.02455753|-0.01557276|0.00193428|0.00261737|-0.00297937|-0.00534610|0.00186984|-0.00216123|-0.00013486|-0.00018459|0.00080944|-0.00008437|-0.00006469|0.00004879|0.00001608|-0.00000110|0.00000517|-0.00000027|-0.00002343|-0.00000090|0.00001855|0.00002421|0.00000954|-0.00004292|0.00000902|-0.00000834|-0.00001274|0.00008704|-0.00001802|-0.00005157|-0.00005696|-0.00005274|-0.00012075|-0.00122969|0.00105383|-0.00009170|0.14709041|0.17548490|-0.00004190|-0.00000057|-0.00005872|-0.00009401|0.00004064|0.00009558|-0.00047552|-0.00033014|-0.00055739|-0.00180860|0.00096142|0.00106534|-0.01239090|-0.00671979|-0.00000515|-0.00021041|0.00025911|-0.06361603|-0.02036987|-0.01473108|0.00067161|0.00177100|-0.00344955|-0.00221961|0.00043601|0.00035390|-0.00075373|-0.00041943|-0.00015805|0.00033095|-0.00000042|0.00000040|0.00001243|-0.00000849|0.00001042|-0.00002035|-0.00000209|-0.00000104|0.00001558|0.00000520|-0.00000347|0.00001990|-0.00000410|-0.00000691|0.00002177|-0.00003760|0.00003415|0.00006342|-0.00007842|0.00011217|0.00005392|0.00030336|-0.00058777|-0.00000202|0.00614268|0.00350192|0.05999965|-0.00001278|0.00004748|-0.00001033|0.00008432|-0.00022561|-0.00009131|-0.00009352|0.00036324|-0.00014285|0.00340391|-0.00173241|0.00070882|0.00431290|0.01852294|-0.03346103|-0.07584022|-0.02379859|0.05701318|-0.00012110|-0.00258920|0.00524183|0.00023878|0.00037555|-0.00084113|-0.00020979|0.00063879|-0.00041938|-0.00036608|-0.00047365|0.00013382|-0.00000957|0.00007300|-0.00001579|0.00001404|-0.00001618|0.00001954|-0.00000227|-0.00000290|0.00000976|0.00002108|0.00000866|-0.00000438|-0.00000642|-0.00001384|0.00001966|0.00007514|0.00000434|0.00003913|-0.00014950|0.00015309|0.00007655|-0.00510165|0.00324598|-0.00376272|-0.00350829|-0.00839018|0.02877131|0.07608411|0.00004291|0.00001047|0.00004682|-0.00010741|0.00007997|-0.00012629|-0.00003772|0.00042461|0.00052760|-0.00060894|0.00192096|-0.00190272|-0.00339014|-0.01466212|0.02589326|-0.01784990|-0.08571682|0.07460232|0.00637768|0.01102067|-0.03023952|0.00044249|0.00171430|0.00098140|-0.00003589|-0.00077063|0.00012880|0.00029015|0.00053899|-0.00009914|-0.00003026|-0.00001954|-0.00001227|0.00002799|0.00000760|0.00001351|0.00001603|-0.00000682|-0.00000871|-0.00000036|0.00000544|-0.00002157|-0.00000456|0.00001699|-0.00000335|-0.00004271|-0.00004047|-0.00004837|0.00014020|-0.00009587|-0.00016833|0.00495634|-0.00073666|0.00140870|-0.00328929|-0.00584846|0.02004008|0.01221803|0.09585853|-0.00005617|-0.00001766|-0.00006307|-0.00015355|0.00005336|-0.00005386|-0.00030932|-0.00030898|-0.00064861|0.00049196|-0.00149141|0.00104508|-0.00091027|0.00972768|-0.00896595|0.04986840|0.07663032|-0.30513880|0.00597606|0.00728112|-0.02102997|0.00034505|0.00098007|0.00099383|-0.00089140|0.00029305|-0.00118031|-0.00044815|-0.00033597|0.00070199|0.00004215|0.00000033|-0.00001020|0.00000077|-0.00001147|0.00004179|0.00001153|-0.00000618|0.00001157|0.00000188|-0.00000108|0.00002027|-0.00000958|-0.00000421|0.00003894|0.00004572|0.00002819|0.00009617|-0.00002146|0.00011901|0.00016349|-0.00223903|0.00028897|0.00058904|0.00100651|-0.00019594|0.00331881|-0.05358804|-0.08774108|0.33089664|-0.00002138|0.00005537|-0.00000575|-0.00002732|-0.00003386|0.00003656|-0.00010984|0.00018679|0.00002189|-0.00067947|0.00050718|-0.00007938|0.00041554|-0.00133664|0.00038623|-0.00092864|-0.00091292|0.00454198|-0.07472571|-0.01824356|0.05230742|-0.00554985|-0.01273236|0.02809677|0.00005926|-0.00237524|0.00050224|-0.00080250|0.00074613|0.00000348|-0.00002018|0.00004517|0.00007330|-0.00001073|0.00000698|-0.00007651|-0.00001942|0.00000054|0.00002234|0.00001020|-0.00000245|-0.00000551|0.00000615|-0.00000753|-0.00000795|-0.00001839|0.00003216|0.00001690|0.00000016|-0.00001547|-0.00001914|-0.00005556|0.00072015|0.00008400|0.00026357|0.00034652|-0.00055665|0.00094816|0.00068895|0.00076286|0.07560477|-0.00003012|0.00005088|-0.00003474|0.00007364|-0.00012077|-0.00003569|0.00000841|0.00001119|-0.00015461|-0.00014539|0.00011073|-0.00000492|-0.00178070|0.00321399|0.00049050|0.00745514|0.01053001|-0.03227830|-0.01806011|-0.09348688|0.09019459|-0.00458535|-0.00941426|0.01884788|0.00024857|-0.00188207|-0.00021677|-0.00093232|0.00050089|0.00029209|-0.00001616|0.00007945|0.00007455|-0.00003857|-0.00000154|-0.00008137|-0.00002757|0.00000599|0.00002839|0.00001013|-0.00000719|0.00000407|0.00000600|-0.00001393|-0.00000397|0.00000695|0.00004737|0.00003997|-0.00002240|0.00001928|0.00007010|0.00017385|-0.00045980|0.00067457|-0.00033010|0.00152427|0.00113878|0.00163646|-0.00492648|-0.00435267|0.02513221|0.10136955|0.00000121|-0.00003254|-0.00001030|-0.00011651|0.00007045|-0.00008625|0.00000696|-0.00011906|-0.00008396|0.00049674|-0.00022166|0.00009243|-0.00089640|0.00121900|0.00326294|0.00394640|0.00969410|-0.02518791|0.05504733|0.08947415|-0.29343847|-0.00184259|-0.00303795|0.00424535|-0.00031430|0.00081992|-0.00019098|0.00027873|-0.00018191|-0.00002573|-0.00000398|-0.00000465|-0.00003260|0.00002407|-0.00001253|0.00006065|0.00001673|-0.00000497|-0.00001086|0.00000026|0.00000527|0.00000571|-0.00000512|-0.00000122|0.00001867|0.00002675|-0.00001228|0.00000824|-0.00002657|0.00002083|0.00004604|0.00093788|-0.00120309|0.00048022|-0.00067140|-0.00017823|0.00080601|0.00037651|-0.00490300|-0.00165063|-0.05811651|-0.09438200|0.31805907|-0.00011692|0.00022609|-0.00007914|0.00014229|-0.00028512|0.00046172|0.00005086|-0.00004265|-0.00001951|0.00080058|-0.00025422|-0.00018565|0.00029015|0.00131299|0.00081979|-0.00225098|0.00047036|-0.00176847|-0.23027827|0.12314215|-0.06669452|-0.02327891|0.01733258|-0.00729479|-0.00142268|-0.00555904|-0.00247292|-0.00211144|0.00100861|0.00078155|0.00002570|0.00003345|0.00010311|-0.00009666|0.00000611|-0.00011796|-0.00007139|-0.00001013|0.00009296|0.00000011|-0.00002154|-0.00000220|0.00001948|-0.00000198|0.00000129|0.00001115|0.00005349|0.00001858|-0.00003492|0.00003046|0.00006428|0.00003171|-0.00004934|0.00003377|0.00043056|0.00043308|0.00041864|-0.00003134|0.00000905|0.00051074|0.00807888|-0.00487080|0.00115298|0.24904456|-0.00005946|0.00019642|0.00003673|-0.00006872|-0.00026935|0.00030742|-0.00012254|0.00033999|0.00027518|-0.00144911|0.00078851|-0.00006969|0.00367225|-0.00837110|-0.00549897|0.02208980|-0.01193400|0.01495366|0.12451990|-0.14808388|0.04663816|-0.02019932|0.01392401|-0.00564505|-0.00255348|-0.00457499|-0.00160316|-0.00092121|0.00131033|0.00044211|-0.00000117|0.00003223|0.00001059|0.00001488|0.00000769|-0.00000257|-0.00004068|-0.00001689|0.00004553|0.00002485|0.00001103|-0.00002908|0.00000533|-0.00001025|-0.00000197|-0.00001884|0.00001451|-0.00000376|-0.00003417|-0.00001455|0.00002402|-0.00032621|0.00086692|-0.00024719|-0.00081334|0.00032260|0.00068245|-0.00020446|0.00131869|-0.00034266|0.00891123|-0.00674790|0.00377722|-0.13268010|0.15917450|0.00001588|0.00000824|0.00002285|0.00002130|-0.00009022|-0.00012777|0.00005752|0.00012552|0.00010049|-0.00085484|0.00032197|-0.00010998|0.00233058|-0.00621238|-0.00190538|0.02011174|-0.01102204|0.01103018|-0.06969530|0.04838301|-0.08956470|0.00167173|0.00048446|0.00008446|0.00079494|-0.00061711|0.00000633|-0.00000942|0.00027389|0.00007107|-0.00001788|0.00003026|-0.00002082|-0.00000101|-0.00000444|0.00002084|-0.00000197|0.00000366|-0.00000417|0.00000532|0.00000469|-0.00000866|-0.00000062|-0.00000430|-0.00000449|-0.00003678|0.00000850|-0.00000373|-0.00003188|-0.00000860|0.00001200|0.00017003|-0.00053534|-0.00012692|-0.00059871|0.00081244|0.00081109|-0.00007033|0.00137047|0.00066083|-0.02793067|0.02011292|-0.00947246|0.07363342|-0.05321424|0.08731718|0.00021281|-0.00003342|-0.00010465|-0.00022030|-0.00062805|-0.00211498|-0.00068741|0.00047782|-0.00056585|-0.00195412|-0.00010943|-0.00055144|0.00037173|-0.00056108|0.00019225|-0.00641584|-0.00149058|0.00061789|-0.00168447|-0.01310565|-0.02876830|-0.06266659|-0.01227310|-0.03464953|0.00653980|0.01254098|0.03388536|-0.00190810|0.00019789|-0.00028544|-0.00067081|0.00071080|0.00039057|-0.00007931|-0.00011685|-0.00042879|-0.00002666|0.00003911|-0.00000307|0.00000549|-0.00000378|0.00000025|0.00002684|-0.00003501|-0.00001623|-0.00017240|0.00013725|0.00013069|0.00009913|-0.00005498|-0.00004542|0.00007277|0.00008540|0.00004947|0.00049164|-0.00153613|-0.00084794|0.00000403|0.00025127|-0.00002440|0.00215390|0.00033870|0.00021662|-0.00097849|-0.00003743|-0.00010626|0.06757129|-0.00011995|0.00015963|0.00005790|0.00060143|-0.00025810|0.00113111|0.00040575|-0.00039471|0.00057780|0.00160827|0.00008989|0.00124438|0.00016661|0.00066975|-0.00020977|-0.00448238|-0.00131302|0.00063474|-0.00241845|-0.00877091|-0.01901716|-0.01286786|-0.09722336|-0.10112073|-0.00299195|-0.00978774|-0.02160118|-0.00080288|0.00090679|0.00021455|0.00024933|-0.00021950|-0.00018213|-0.00001770|0.00002784|0.00015864|-0.00003309|-0.00002519|0.00002379|0.00000446|0.00000260|-0.00001418|-0.00000339|0.00000564|-0.00000652|0.00019263|-0.00005817|-0.00013233|-0.00011370|0.00003425|0.00005500|-0.00006847|-0.00016963|-0.00009097|0.00031868|-0.00108758|-0.00061128|0.00003303|0.00019967|0.00003822|0.00061119|0.00091630|0.00013313|-0.00064347|-0.00037971|-0.00002305|0.01678661|0.10261593|-0.00006972|0.00001271|0.00002402|0.00050653|-0.00003430|0.00063231|0.00011316|-0.00018746|0.00005826|0.00054556|0.00096454|-0.00082362|0.00000714|-0.00012011|0.00012377|0.00006463|0.00058210|0.00073485|0.00092141|0.00285655|0.00293045|-0.03633776|-0.10198149|-0.30225605|-0.00015776|-0.00338239|-0.00704973|0.00048063|-0.00010301|0.00122991|0.00019000|-0.00022992|-0.00016226|0.00002877|0.00004570|0.00011899|0.00000979|-0.00000551|-0.00000501|0.00001289|0.00000831|-0.00000818|-0.00000528|0.00001000|0.00001155|0.00005619|0.00000515|-0.00003335|-0.00002129|-0.00000101|0.00001049|-0.00001846|-0.00004127|-0.00002389|0.00010505|0.00003402|0.00008820|0.00000791|0.00020196|0.00025297|0.00000658|-0.00001634|0.00197638|-0.00017835|-0.00047080|-0.00003922|0.03667504|0.11079864|0.32364256|-0.00013656|0.00018698|-0.00004455|0.00074182|-0.00077919|0.00034391|0.00062184|0.00098016|0.00021309|-0.00483646|0.00040270|0.00299979|0.00009344|-0.00020052|-0.00017506|-0.00148448|0.00041761|0.00056712|0.00132340|-0.02443901|0.02230752|-0.06009964|0.01475524|-0.01327005|-0.00072959|0.02790733|-0.02428150|0.00010657|-0.00080870|0.00208379|0.00003651|0.00005903|-0.00006343|-0.00005461|-0.00000092|-0.00001779|-0.00005926|-0.00003048|0.00005673|-0.00002637|-0.00001041|-0.00000086|0.00001563|0.00002485|-0.00000697|-0.00025536|0.00006904|0.00016285|-0.00024599|0.00012744|0.00012629|-0.00000362|0.00017293|-0.00001550|0.00008170|-0.00016011|-0.00050187|0.00026607|-0.00006391|-0.00041224|-0.00457157|-0.00425047|-0.00053579|0.00174596|0.00029200|0.00054322|-0.00008493|0.00358531|-0.00294264|0.06755550|0.00017164|-0.00008907|0.00004593|-0.00028067|-0.00019925|-0.00141117|-0.00051321|-0.00064313|0.00021078|0.00375214|0.00019389|-0.00176717|0.00016080|0.00043916|-0.00005637|-0.00072113|-0.00008362|0.00107145|0.00213635|-0.01220238|0.01179260|0.01665678|-0.23228329|0.14410418|0.00238073|-0.02035414|0.01455717|-0.00210177|0.00213311|0.00019268|-0.00026305|0.00030506|0.00009720|-0.00000574|-0.00003796|-0.00009771|-0.00000177|0.00003483|-0.00003353|0.00001947|0.00001593|-0.00001680|0.00000375|-0.00003168|-0.00002129|0.00019702|-0.00004048|-0.00013706|0.00017604|-0.00007007|-0.00012550|-0.00012358|0.00009055|-0.00002231|0.00001758|-0.00015706|-0.00053578|0.00012643|-0.00029303|-0.00063101|-0.00233055|-0.00131908|-0.00091896|0.00035996|0.00209518|-0.00020828|-0.00158034|0.01405934|-0.00894605|-0.01823691|0.24843721|0.00003847|-0.00000018|0.00003066|-0.00045978|0.00003776|0.00002680|0.00000819|-0.00049921|-0.00006052|0.00160779|-0.00099324|-0.00101846|0.00003090|0.00011646|0.00008751|0.00012386|0.00013159|0.00035691|0.00127870|-0.00357632|0.00246103|-0.01570374|0.14589002|-0.17727257|0.00340685|-0.01090276|0.00779245|-0.00014407|-0.00053907|0.00032416|-0.00002607|-0.00000198|-0.00000183|-0.00001504|-0.00001617|0.00000964|0.00000245|0.00000326|-0.00001259|-0.00000858|0.00000225|-0.00000296|0.00000382|-0.00000787|-0.00001260|0.00007142|-0.00003844|-0.00007611|0.00001687|-0.00003922|-0.00003335|-0.00002749|-0.00007026|-0.00004045|-0.00006811|0.00011651|-0.00014127|-0.00001075|0.00005946|-0.00008999|-0.00006446|-0.00040704|0.00112845|0.00072066|-0.00006393|0.00125098|-0.00364584|0.02794138|-0.02143340|0.01286395|-0.15714300|0.18672750| 164.10620 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 38.4045 89.5205 110.6140 201.8288 227.8267 251.2926 263.7805 317.8012 380.1030 434.9023 447.3791 464.2994 538.5201 575.3365 653.8001 673.1605 695.1969 729.8558 796.9239 867.6754 927.4359 944.5260 987.2855 1010.5054 1040.1895 1049.7743 1082.0552 1115.6159 1159.7201 1215.2846 1225.2044 1271.7459 1282.1914 1319.7138 1340.2582 1354.6556 1376.0450 1391.6647 1433.3337 1457.3822 1488.8660 1507.9286 1529.1109 1552.0923 1567.4887 1612.6674 1630.9568 1636.3397 1638.9663 1647.5666 1664.8146 1673.7853 1867.9257 2605.6592 3209.4535 3212.6513 3221.2559 3222.3670 3243.7358 3255.5042 3279.5468 3289.6488 3291.1598 3309.8037 3312.3099 3746.8927 2.6176 4.0462 4.3323 3.5741 3.7556 1.3386 2.0051 2.2808 2.2149 3.7517 3.5777 5.0880 3.3786 4.1126 4.2178 4.9214 4.8223 2.3199 4.3652 4.7940 1.4799 2.6388 2.6103 2.1710 1.5925 1.7980 2.2494 1.4537 2.2381 3.4045 1.8408 2.9391 1.6633 2.8260 1.4963 1.4692 1.8666 1.5464 2.0584 1.9831 1.6567 1.4305 1.4691 2.0777 1.4334 1.0801 1.0515 1.0935 1.0477 1.1026 1.1173 1.1367 10.5260 12.7212 1.0678 1.0649 1.0513 1.0560 1.0657 1.0987 1.1031 1.1027 1.1034 1.1025 1.1005 1.0764 0.0023 0.0191 0.0312 0.0858 0.1149 0.0498 0.0822 0.1357 0.1885 0.4181 0.4219 0.6462 0.5773 0.8021 1.0623 1.3139 1.3732 0.7281 1.6334 2.1265 0.7500 1.3870 1.4991 1.3061 1.0152 1.1675 1.5518 1.0660 1.7735 2.9625 1.6280 2.8007 1.6111 2.8999 1.5836 1.5885 2.0824 1.7646 2.4915 2.4817 2.1637 1.9164 2.0238 2.9490 2.0751 1.6550 1.6480 1.7252 1.6582 1.7635 1.8245 1.8763 21.6387 50.8878 6.4805 6.4758 6.4275 6.4605 6.6064 6.8609 6.9905 7.0305 7.0419 7.1162 7.1140 8.9037 0.2644 3.5682 3.8124 3.8165 3.5993 1.3964 3.1759 3.7580 0.5740 5.6655 5.1139 1.5111 4.6699 1.3108 1.3059 2.6879 8.6074 16.3685 13.5023 6.3150 27.4315 6.0854 7.0128 46.9807 61.2851 7.6970 6.8369 1.9965 6.0000 9.9812 10.8968 25.3348 12.1549 6.9125 21.0782 13.2051 36.4809 3.1533 5.2497 73.4368 31.7561 2.0131 15.2042 46.2163 19.5457 1.9412 1.2397 3.8813 3.3332 1.7586 1.1039 10.4796 287.9506 11.0683 33.5224 12.7208 7.0846 64.7728 14.2363 36.6774 42.2863 18.2322 26.1418 18.7427 24.9530 2.6670 0.2906 1.9573 1.1801 2.3638 1.6731 0.3356 0.2990 0.8707 0.4018 1.6527 1.1463 4.9857 1.3999 1.4687 5.2871 3.1103 5.5201 3.7695 7.3374 8.3100 1.2093 5.8979 5.8568 6.7056 3.0202 1.4309 1.3872 2.8451 6.7205 1.3483 1.1566 11.0397 0.2818 3.9149 2.2868 8.2847 2.4002 6.0722 9.1424 2.4812 4.9430 1.8152 1.2900 1.3722 1.0191 11.4404 13.5076 17.5469 13.2291 5.9025 6.3823 5.2854 22.3749 66.7236 79.1454 23.4667 44.1034 181.1931 99.0041 118.6419 121.5855 66.7625 65.2503 66.6288 66.6913 87.1438 0.7444 0.6887 0.7469 0.6608 0.7478 0.5980 0.5466 0.7496 0.5660 0.3341 0.6983 0.2299 0.6608 0.0782 0.0854 0.3432 0.3778 0.4225 0.3092 0.0965 0.7448 0.2325 0.3219 0.6311 0.7291 0.7259 0.6220 0.7427 0.7089 0.4848 0.5377 0.7297 0.7500 0.7222 0.1145 0.7393 0.4720 0.7012 0.6600 0.4606 0.7330 0.7496 0.7127 0.3029 0.3956 0.7469 0.7431 0.7495 0.7437 0.6274 0.7499 0.6431 0.2585 0.2557 0.2364 0.5044 0.3061 0.0373 0.1448 0.2722 0.4171 0.6996 0.7119 0.7319 0.4725 0.2708 0.8535 0.8156 0.8551 0.7958 0.8557 0.7484 0.7068 0.8569 0.7228 0.5008 0.8224 0.3739 0.7958 0.1450 0.1574 0.5110 0.5484 0.5940 0.4724 0.1759 0.8537 0.3773 0.4871 0.7738 0.8434 0.8412 0.7669 0.8524 0.8296 0.6530 0.6993 0.8438 0.8571 0.8387 0.2054 0.8501 0.6413 0.8243 0.7952 0.6307 0.8459 0.8569 0.8323 0.4650 0.5669 0.8551 0.8526 0.8568 0.8530 0.7711 0.8571 0.7828 0.4108 0.4073 0.3824 0.6705 0.4687 0.0719 0.2530 0.4279 0.5887 0.8232 0.8317 0.8452 0.6417 0.4261
298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 6 6 6 7 7 6 6 6 6 7 6 7 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 14.00307 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783
902.90058 2834.54708 2936.45824 0.99952 0.01642 0.02612 -0.01738 0.99916 0.03701 -0.02550 -0.03744 0.99897 1 0.09593 0.03056 0.02950 1.99883 0.63669 0.61460 55.26 128.80 159.15 290.39 327.79 361.55 379.52 457.25 546.88 625.73 643.68 668.02 774.81 827.78 940.67 968.53 1000.23 1050.10 1146.60 1248.39 1334.37 1358.96 1420.48 1453.89 1496.60 1510.39 1556.84 1605.12 1668.58 1748.52 1762.80 1829.76 1844.79 1898.77 1928.33 1949.05 1979.82 2002.30 2062.25 2096.85 2142.15 2169.57 2200.05 2233.11 2255.27 2320.27 2346.58 2354.33 2358.11 2370.48 2395.30 2408.20 2687.53 3748.96 4617.69 4622.29 4634.67 4636.27 4667.01 4683.94 4718.54 4733.07 4735.24 4762.07 4765.68 5390.94 0.218616 0.228766 0.229711 0.182270 -527.460584 -527.450434 -527.449489 -527.496930 1.591179D-04
MUNgauss RevisionA2.1 retrievium 21-Dec-2022 GDB_13 Smiles: CC1(CN2NCCCC2=N1)C#N RHF 6-31G(d) (6D,10F) C1 164.106196 |X|Y|Z| 18.711904 17.082019 37.544380
22.894652 9 6 7 6 3
|36.858105| |12.471322|36.858105| |7.383493|12.316293|36.858105| |5.254579|8.274214|13.127326|53.358707| |3.977162|5.258854|7.821021|18.469068|53.358707| |3.509249|4.324214|5.449664|10.892583|17.814357|36.858105| |3.278679|4.080958|4.555107|9.147638|10.516425|12.476062|36.858105| |3.982600|5.199078|5.171066|10.356180|8.833396|7.569591|12.370104|36.858105| |5.549695|8.667517|8.412802|18.791067|10.660843|7.033390|7.516873|12.663603|36.858105| |7.714276|13.002094|8.011558|11.565709|7.396915|4.930888|5.127759|7.797583|15.071866|53.358707| |7.754426|12.783002|7.676893|8.407930|5.843274|3.520161|3.463941|4.294590|6.193863|10.807848|36.858105| |5.545236|7.255955|5.503789|6.538518|4.926592|3.017399|3.019782|3.629265|4.756570|7.630477|16.779792|53.358707| |17.560961|8.781368|6.670357|6.242361|4.951751|3.147910|2.886920|3.350871|4.476809|7.596926|6.990900|7.364125|0.500000| |17.602190|8.845816|5.432010|5.931891|4.610150|3.088680|3.007886|3.721315|4.882036|9.516671|7.083567|7.430468|0.300216|0.500000| |17.585485|8.890353|6.788833|6.928850|5.510994|3.721135|3.396964|4.050791|5.442711|9.612797|5.612491|5.835017|0.299670|0.301028|0.500000| |6.025733|8.590846|17.639894|12.308681|9.078881|4.582612|3.877751|4.200644|6.045090|7.914581|7.386065|7.854664|0.170721|0.129718|0.148247|0.500000| |7.186802|8.718686|17.528670|12.375342|9.844289|5.501563|4.315480|4.663210|6.784889|8.900925|5.639450|5.887104|0.185236|0.143446|0.212911|0.299796|0.500000| |3.458035|4.527656|6.250051|13.295933|25.891632|9.415699|7.036578|5.728358|6.377682|6.317888|4.016565|4.801690|0.089640|0.083887|0.095268|0.165256|0.153704|0.500000| |2.975382|3.527798|4.392374|7.890723|12.607318|17.585319|8.776116|5.488128|5.050682|5.249863|2.992314|3.587611|0.076124|0.073581|0.087363|0.109034|0.125399|0.229012|0.500000| |3.787815|4.453484|5.491410|9.639381|12.522691|17.541606|8.799650|6.856465|6.745639|6.912997|3.462126|3.980439|0.093180|0.091646|0.116888|0.123621|0.167943|0.182382|0.302553|0.500000| |2.945417|3.682771|4.123474|8.158115|9.548951|8.917064|17.532827|8.780065|6.169702|6.022853|3.304449|4.035014|0.073527|0.075718|0.082670|0.102322|0.105562|0.208279|0.214133|0.173756|0.500000| |2.914868|3.447396|3.723522|6.745660|7.615369|8.798338|17.560939|8.789328|5.614523|5.821047|2.958059|3.563381|0.071692|0.075581|0.085215|0.089554|0.101392|0.143757|0.210351|0.210485|0.303518|0.500000| |3.591739|4.658746|4.435923|8.364672|7.117118|5.619518|8.736161|17.568573|9.021369|9.127814|4.205464|5.031355|0.085298|0.096242|0.098073|0.105286|0.108382|0.139499|0.124518|0.138731|0.225351|0.193579|0.500000| |3.962276|4.794400|4.520243|7.933764|6.961373|6.189171|8.734076|17.598669|9.125806|9.937412|3.888905|4.488136|0.091179|0.105438|0.115800|0.102107|0.119164|0.124041|0.131880|0.176965|0.175972|0.225010|0.304620|0.500000|
527.141423 -2663.375453 965.036619 -72.388525 -1243.585936 715.906733 -527.679203 2.001020 4037FFFFFFFFFFF9 41A7FC6471FFFFFF 414171BD6A2E8BA2 40D0284000000000 4031000000000001 41677A9020000001