Version2.5 2022-11-16T06:05:38Z 10.1021/ja902302h Gaussian16 RevisionB.01 SBUNGAY 08-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=NN2C=CCC=CC2=C1N RHF 6-31G(d) (6D,7F) CC1=NN2C=CCC=CC2=C1N C1[X(C9H11N3)] 63 C1 202 CC1=NN2C=CCC=CC2=C1N Cc1nn2c(c1N)C=CCC=C2 Cc1nn2C=CCC=Cc2c1N InChIKey=LXCIVTFJHOKIEB-UHFFFAOYSA-N InChI=1S/C9H11N3/c1-7-9(10)8-5-3-2-4-6-12(8)11-7/h3-6H,2,10H2,1H3 InChI=1/C9H11N3/c1-7-9(10)8-5-3-2-4-6-12(8)11-7/h3-6H,2,10H2,1H3 CC1=NN2C=CCC=CC2=C1N C01[X(C9H11N3)] 63 C1 202 CC1=NN2C=CCC=CC2=C1N C[C@H]1N[N@]2[C@H]([C@H]1N)CCCCC2 C[C@H]1NN2CCCCC[C@H]2[C@H]1N InChIKey=DKPXCSSWSUTFDP-VGMNWLOBSA-N InChI=1S/C9H19N3/c1-7-9(10)8-5-3-2-4-6-12(8)11-7/h7-9,11H,2-6,10H2,1H3/t7-,8+,9+/m1/s1 InChI=1/C9H19N3/c1-7-9(10)8-5-3-2-4-6-12(8)11-7/h7-9,11H,2-6,10H2,1H3/t7-,8+,9+/m1/s1 5.099578630507D+02 -2.547400535557D+03 678.0020612906 -510.503985 1-A 2104.1543 43 159 202 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -15.63560 -15.57482 -15.55393 -11.26851 -11.26681 -11.24904 -11.23999 -11.23976 -11.23905 -11.23178 -11.22766 -11.22236 -1.38668 -1.19753 -1.15241 -1.08714 -1.06987 -1.00486 -0.97256 -0.92849 -0.84060 -0.79369 -0.76187 -0.71682 -0.67051 -0.66987 -0.64223 -0.62421 -0.61999 -0.59621 -0.58947 -0.58083 -0.56526 -0.54672 -0.53273 -0.51224 -0.49000 -0.45792 -0.42180 -0.40403 -0.39718 -0.30388 -0.29779 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.11496 0.20337 0.21756 0.23146 0.23717 0.27905 0.28618 0.28710 0.29980 0.30929 0.31432 0.33213 0.34301 0.35266 0.36737 0.39418 0.40880 0.42236 0.45277 0.47511 0.50528 0.51024 0.55480 0.56949 0.58656 0.63630 0.65300 0.70107 0.72443 0.73620 0.76669 0.77183 0.78587 0.79945 0.79949 0.82379 0.83667 0.84427 0.85024 0.86672 0.89285 0.89601 0.90323 0.90963 0.95116 0.96499 0.97657 0.99935 1.01158 1.01641 1.04170 1.06999 1.09082 1.09946 1.11751 1.13395 1.13620 1.14711 1.16534 1.16568 1.16685 1.17110 1.17963 1.18302 1.19842 1.21291 1.23783 1.23900 1.24637 1.25294 1.27126 1.31948 1.33642 1.37231 1.39681 1.43050 1.46876 1.54254 1.55539 1.56410 1.60704 1.61182 1.64356 1.67072 1.68701 1.69106 1.72257 1.74047 1.79168 1.79935 1.81390 1.82714 1.86307 1.92776 1.98324 2.02468 2.05282 2.09328 2.09548 2.11717 2.18469 2.19421 2.23055 2.23351 2.27111 2.29017 2.31471 2.31713 2.32742 2.36755 2.39680 2.40374 2.41876 2.46961 2.47135 2.51323 2.53896 2.55003 2.57428 2.60949 2.63559 2.67632 2.69332 2.73175 2.74591 2.75106 2.78129 2.80095 2.80730 2.84293 2.86934 2.93198 2.95350 2.97822 2.98452 3.05042 3.11641 3.11698 3.15185 3.20998 3.22492 3.26990 3.41049 3.53357 3.61130 3.66714 3.78583 4.33307 4.35863 4.53513 4.56918 4.60584 4.65658 4.67095 4.74952 4.81365 4.95216 5.06722 5.15115 11.23141 -0.0294 1.1416 0.0020 1.1420 |XX|YY|ZZ|XY|XZ|YZ| -55.2071 -72.0916 -72.6341 -4.0952 -0.0001 -0.0060 |XX|YY|ZZ|XY|XZ|YZ| 11.4371 -5.4473 -5.9898 -4.0952 -0.0001 -0.0060 |XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| -15.2129 -1.9828 0.0057 4.5358 13.1824 0.0100 -10.1049 4.7340 0.0049 -0.0076 |XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY| -1827.5509 -766.1137 -90.2947 -41.7410 0.0110 -23.3239 -0.0437 -0.0120 0.0141 -414.2657 -341.2816 -146.1402 -0.0185 0.0004 -13.3136 0 |0.58114918|-0.01516699|0.66368027|0.00118762|0.00091014|0.61687047|-0.25800114|-0.04955434|0.00593124|0.95345856|-0.03564419|-0.12369009|0.00099681|-0.05475731|0.72745586|0.00603755|0.00151299|-0.08531816|-0.02734476|0.00594038|0.21680553|-0.02858846|0.02483885|0.00096662|-0.31648893|0.19679929|0.00994609|0.65179100|-0.00432716|0.01417166|0.00033159|0.17971091|-0.34502180|-0.00857171|-0.12380504|0.66826774|0.00074410|-0.00074128|-0.00728217|0.00981664|-0.00918988|-0.08572937|-0.02038297|0.00878049|0.12089172|0.00010146|0.01040155|0.00052057|-0.12497525|0.04767511|0.00533715|-0.24120250|-0.04500892|0.00575188|0.87177603|0.00279131|-0.00083029|-0.00019601|0.02210609|-0.04152804|-0.00120514|-0.14327075|-0.17774388|0.00434120|-0.11303914|0.85320805|0.00046010|-0.00048121|0.01201546|0.00513550|-0.00207520|0.01116175|0.00509950|0.00079592|-0.07353917|-0.02821358|0.00994256|0.13307376|-0.00017515|0.00037250|0.00011177|-0.00412480|-0.01681235|0.00016908|-0.06284808|0.02400707|0.00210025|-0.25986266|0.06579637|0.00855938|1.01694658|-0.00045364|0.00230604|0.00000827|-0.01072189|0.00785509|0.00041507|0.00135612|0.02568960|0.00027163|0.09430724|-0.21867334|-0.00495048|0.13923409|0.77654391|0.00010822|-0.00001606|0.00291054|0.00020760|0.00062361|0.00395877|0.00186184|-0.00057215|-0.01186825|0.00888553|-0.00394874|-0.04469450|-0.03074936|0.00016469|0.15766028|-0.00010581|0.00039327|0.00000331|-0.00090934|0.00465965|0.00007180|0.00517472|0.00375154|-0.00011691|-0.04304757|0.00287354|0.00193310|-0.60488165|-0.15328125|0.01879463|0.99860947|0.00005092|-0.00070754|-0.00000568|0.00401122|-0.00184075|-0.00016015|-0.00359109|-0.00571920|0.00007062|0.03902020|0.01734539|-0.00136439|-0.14935822|-0.19071365|0.00444372|0.07320027|0.68264863|0.00000057|-0.00001987|-0.00010246|0.00007017|-0.00018944|0.00003000|-0.00017943|-0.00019899|0.00119312|0.00224048|-0.00002400|0.00816326|0.01883774|0.00459473|-0.06394804|-0.03054358|0.00180704|0.16139220|-0.00000571|0.00004888|0.00000745|-0.00000608|-0.00267801|-0.00002113|-0.00133779|0.00064704|0.00006002|0.00059012|0.00215435|-0.00024232|-0.00483244|-0.03482894|0.00008068|-0.14067334|-0.05921962|0.00159312|0.59557914|0.00006050|-0.00022430|-0.00000556|0.00077084|-0.00181461|-0.00004185|-0.00330873|-0.00203853|0.00010140|0.00445438|-0.00028662|-0.00011012|-0.00914958|0.00450862|0.00033117|-0.05189896|-0.23128815|0.00066458|0.00168038|0.59872741|0.00000729|-0.00000508|0.00018168|0.00000630|0.00008332|-0.00001169|0.00002945|-0.00004271|0.00022384|-0.00022374|-0.00002804|-0.00656310|0.00029361|0.00128363|0.00542789|0.00166225|0.00094796|-0.08415038|-0.00016153|0.00001200|0.59041127|0.00005755|-0.00015875|-0.00000416|-0.00069960|0.00095985|0.00003876|0.00169711|0.00119344|-0.00007514|-0.00023927|0.00400248|0.00006905|0.00275559|-0.00225598|-0.00011086|0.02234635|-0.01392276|-0.00099602|-0.15573745|0.06193769|0.00305954|1.00057506|0.00028669|-0.00074355|-0.00001607|0.00007462|-0.00226685|-0.00002135|-0.00726588|-0.00314813|0.00024299|0.00550302|0.00221356|-0.00018836|-0.00422918|0.00506052|0.00019717|0.02153111|-0.02494812|-0.00100215|0.06728057|-0.21673303|-0.00359207|-0.01320209|0.65979965|-0.00000043|-0.00000054|-0.00002409|0.00003237|-0.00005706|0.00015727|-0.00015099|-0.00006699|-0.00068709|0.00008522|-0.00013394|0.00078973|-0.00013026|0.00012476|0.00023854|-0.00069213|0.00031078|-0.00132366|0.00309558|-0.00339444|-0.08735395|-0.03023077|0.00465169|0.17893675|0.00019461|-0.00163954|-0.00001091|-0.00640579|0.00239579|0.00047887|-0.00273456|0.00409466|0.00037230|0.02159220|0.00015269|-0.00082444|0.00018168|0.00097298|-0.00005879|-0.00054684|-0.00039059|0.00001222|-0.01065940|0.00420566|0.00067396|-0.63086954|0.05798060|0.02124159|0.99525925|-0.00050808|0.00168365|0.00002993|0.00269161|0.00215960|-0.00013426|0.01019170|-0.00055184|-0.00042732|-0.03800435|-0.02818208|0.00116483|0.00197082|-0.00139892|-0.00007278|-0.00167899|0.00361611|0.00009405|0.03316434|0.00851156|-0.00119894|0.07382165|-0.15126149|-0.00345022|-0.06597726|0.70857692|-0.00000225|0.00007163|0.00024522|0.00048575|-0.00011609|0.00620343|0.00042496|-0.00021036|0.00684028|-0.00111814|-0.00019519|-0.00110627|-0.00005020|-0.00003420|-0.00162292|0.00000197|0.00004627|-0.00010822|0.00092739|-0.00014182|0.00674686|0.02137076|-0.00286839|-0.06462834|-0.03136326|0.00711020|0.15472199|0.00109143|-0.00096090|0.00009651|-0.03797884|-0.09966966|0.00107981|-0.05141905|-0.01248830|0.00241242|-0.14695235|0.01974730|0.00283407|0.00701869|0.03864860|-0.00020858|0.00371407|-0.00055356|-0.00010765|-0.00032637|-0.00137376|-0.00029320|-0.03461983|-0.03146164|0.00118383|-0.21637956|-0.08649169|0.00454204|0.89193482|0.00077619|-0.01033993|-0.00014284|-0.02348614|0.04556992|0.00111875|-0.03000073|-0.08910875|0.00030141|0.00315451|-0.34413342|-0.00222006|0.02328801|-0.02444583|-0.00098426|-0.00492473|0.00587014|0.00022547|-0.00026466|0.00336643|0.00010448|-0.00753175|0.01556947|0.00036525|-0.08121589|-0.21067767|0.00178934|0.09125049|0.79039853|0.00010692|-0.00007543|0.00389548|0.00166677|0.00387265|0.01279234|0.00227185|-0.00035356|0.01691240|0.00265497|-0.00275967|-0.07532214|-0.00029312|-0.00160561|-0.00592513|-0.00014641|0.00005878|0.00089770|-0.00028414|0.00014723|-0.00793698|0.00138375|0.00123866|0.00509779|0.00461439|0.00202390|-0.07200273|-0.02508251|0.00145516|0.18615009|-0.00532401|-0.03129234|0.00011155|-0.18239691|-0.02519317|0.00327248|0.04791960|-0.02020115|-0.00099832|-0.05344396|0.09677593|0.00309852|0.00983075|-0.01172456|-0.00038695|-0.00500160|0.00275182|0.00020335|0.00256045|0.00184553|-0.00007822|0.00430344|-0.00022182|-0.00010733|-0.02887711|-0.00534022|0.00129620|-0.41309914|0.01441337|0.01210646|0.79082243|-0.00477964|0.00516240|0.00018102|-0.08933495|-0.24398979|0.00206849|0.07189298|-0.08375255|-0.00346239|0.00921051|-0.03100302|-0.00070748|0.00246306|-0.01257249|-0.00018158|-0.00323056|0.00167050|0.00013460|0.00177386|0.00027850|-0.00006336|-0.00286612|-0.00688498|0.00003474|-0.02600108|0.01828286|0.00103537|0.06303352|-0.15055612|-0.00280415|-0.14793322|0.81250321|0.00031856|0.00114950|0.00438865|0.00277556|-0.00030992|-0.08800533|-0.00032083|-0.00010411|0.02487112|0.00248550|-0.00384104|0.01251884|-0.00028633|0.00031848|0.00129693|0.00015048|-0.00008739|-0.00016897|-0.00007761|-0.00006595|0.00004000|-0.00013127|-0.00005961|0.00135713|0.00112719|0.00027632|0.00783850|0.01247463|-0.00104934|-0.08569755|-0.02272428|0.01019554|0.20137879|-0.00088116|0.00022801|-0.00005202|0.01481605|-0.00672221|-0.00058358|-0.00421386|-0.00620991|0.00033374|-0.00504919|0.00535865|0.00054943|0.00173570|0.00131852|0.00004849|-0.00013469|-0.00026836|-0.00000312|-0.00009428|-0.00033967|0.00000680|-0.00012899|0.00138675|0.00002832|0.00157138|-0.00121110|-0.00019442|-0.00651982|0.03299539|0.00049473|-0.13445624|0.12684946|0.00231803|0.51139707|0.00182684|0.00148440|-0.00003561|0.02453959|-0.03025743|-0.00114152|-0.00585360|-0.00808475|0.00010361|0.00455673|-0.00059353|-0.00024152|-0.00312895|0.00189029|0.00010772|0.00088348|-0.00036398|-0.00003467|-0.00046000|-0.00030013|0.00001308|0.00070900|0.00167098|-0.00001441|-0.00252243|-0.00406349|0.00008483|0.01070000|-0.00540713|-0.00043587|0.07344876|-0.28241299|-0.00413675|-0.24172923|0.41174742|-0.00003920|0.00002171|-0.00236287|-0.00034036|0.00001208|0.00034419|0.00034288|0.00011945|0.00615648|0.00053533|-0.00028247|0.00875193|0.00001802|-0.00004909|0.00285879|0.00000725|0.00000760|-0.00016525|0.00000481|0.00000806|0.00015085|0.00002273|-0.00003914|0.00033260|-0.00019802|0.00003991|-0.00338473|0.00031335|-0.00124658|-0.00018111|0.00189299|-0.00610445|-0.09874989|0.00759467|0.00591625|0.77178633|-0.12146947|0.05040009|-0.10717122|-0.01746505|0.01827180|-0.02950595|-0.00110904|-0.00236721|-0.00236801|-0.00411319|-0.00129246|0.00226847|0.00045028|-0.00103647|0.00065030|-0.00023779|0.00030522|0.00001121|0.00001283|0.00009453|0.00001896|-0.00003376|0.00002706|0.00000334|0.00018561|-0.00006945|-0.00001094|-0.00097690|0.00168624|0.00059834|0.00058914|0.00077955|0.00096058|0.00079952|-0.00036446|-0.00022526|0.13206071|0.04997419|-0.10129020|0.08652868|-0.00336995|0.00505839|-0.00929780|0.00143720|-0.00008701|0.00006874|-0.00154606|-0.00008271|0.00004818|0.00018107|-0.00026096|0.00019131|-0.00007674|0.00007545|-0.00001881|0.00000387|0.00004922|0.00001731|-0.00001291|0.00009570|-0.00000645|0.00007367|-0.00011896|0.00002994|0.00043519|0.00059132|0.00023705|-0.00060352|-0.00079327|0.00008246|0.00010580|0.00051700|-0.00022370|-0.05651872|0.10153906|-0.10700236|0.08699151|-0.23445817|0.00222014|-0.00277514|0.00572419|0.00090888|-0.00025536|0.00030529|-0.00016405|-0.00042820|-0.00059295|0.00009091|-0.00010310|-0.00007662|-0.00000701|0.00003277|0.00001848|0.00000288|0.00001482|-0.00001039|-0.00000498|-0.00003352|0.00000060|-0.00000851|0.00006133|-0.00000091|-0.00035066|0.00006163|-0.00005785|-0.00076393|0.00096520|0.00052989|0.00098777|0.00006161|0.00020141|0.11748116|-0.09689467|0.25188530|-0.10645799|0.04241813|0.09843531|-0.01534896|0.01795801|0.03133027|-0.00099384|-0.00238287|0.00242663|-0.00425112|-0.00122692|-0.00202050|0.00039437|-0.00101416|-0.00070181|-0.00023662|0.00030175|0.00001291|0.00001111|0.00009362|-0.00001895|-0.00003348|0.00002953|-0.00000031|0.00018606|-0.00007394|-0.00000361|-0.00098915|0.00168783|-0.00050469|0.00057468|0.00072174|-0.00095147|0.00074109|-0.00037100|0.00017969|0.00910380|-0.00835547|-0.01489582|0.11556584|0.04202859|-0.09859330|-0.08766562|-0.00266026|0.00488145|0.00952153|0.00144151|-0.00009100|-0.00017880|-0.00155020|-0.00009103|0.00006981|0.00016842|-0.00025980|-0.00020691|-0.00007540|0.00007571|0.00002542|0.00000268|0.00004977|-0.00001657|-0.00001245|0.00009506|0.00000909|0.00007123|-0.00011754|-0.00003706|0.00041065|0.00059733|-0.00025799|-0.00061979|-0.00077701|-0.00005765|0.00013710|0.00051426|0.00021971|-0.00765279|0.00642584|0.01303879|-0.04765276|0.09852648|0.09825748|-0.08815818|-0.25215377|-0.00071912|0.00145737|0.00378742|-0.00079242|0.00042339|0.00019536|0.00040804|0.00052647|-0.00044975|-0.00012222|0.00017489|-0.00002008|0.00002449|-0.00005417|0.00001688|-0.00000444|-0.00002079|-0.00000930|0.00000732|0.00003290|0.00000097|-0.00000408|-0.00005792|-0.00000293|0.00042464|-0.00017462|-0.00005150|0.00075144|-0.00104096|0.00052738|-0.00102592|-0.00003045|0.00026307|0.01226882|-0.01196735|-0.02516514|-0.10821288|0.09819389|0.27137709|-0.06281248|-0.03096794|-0.00008112|-0.00444693|-0.04415018|-0.00021972|0.00433258|0.00079632|-0.00015418|-0.00060869|0.00073172|0.00001476|0.00036115|-0.00012270|-0.00001639|-0.00009697|0.00003091|0.00000326|0.00004360|-0.00001335|-0.00000142|-0.00007753|-0.00019112|0.00000089|-0.00051975|0.00050816|0.00001808|-0.00000972|-0.00241841|-0.00000397|-0.00704060|0.00268408|0.00032563|0.00060411|0.00019631|-0.00001944|0.00258099|0.01827198|0.00203712|0.00205995|0.01598972|-0.00180049|0.06571828|-0.03734186|-0.35257600|-0.00091010|-0.00016743|-0.00741380|-0.00004182|0.00217381|0.00134565|-0.00006825|-0.00093423|0.00074136|0.00004160|0.00027485|-0.00025483|-0.00001145|-0.00011429|0.00005038|0.00000479|0.00003488|0.00000040|-0.00000131|-0.00001676|-0.00006513|0.00000009|-0.00009906|0.00018422|0.00000613|0.00047139|-0.00058208|-0.00002445|-0.00096618|0.00097970|0.00003264|-0.00032065|-0.00011263|0.00001059|-0.00104314|-0.01120866|-0.00016084|-0.00095521|-0.01072039|0.00003469|0.03883413|0.37921833|-0.00013026|-0.00114329|-0.05848433|0.00011875|0.00156302|-0.00113854|-0.00014324|-0.00001802|-0.00006172|0.00000322|-0.00001896|-0.00031782|-0.00001365|0.00000332|-0.00007196|0.00000206|-0.00000064|-0.00001628|-0.00000104|0.00000043|0.00000770|0.00000240|0.00000656|-0.00000785|0.00001320|-0.00001595|-0.00013970|0.00001845|0.00008077|0.00039363|0.00029692|-0.00010090|0.00128358|-0.00002365|-0.00000826|0.00003069|0.00519903|0.03095666|0.00191997|-0.00524196|-0.03240514|0.00195316|-0.00010470|0.00109050|0.05465464|0.00000336|-0.00005024|-0.00000539|-0.00046083|0.00094062|0.00003119|0.00224013|0.00172558|-0.00010842|0.00293384|0.04128501|0.00036734|-0.08504603|-0.08637283|0.00062291|-0.00611294|-0.03410546|0.00020641|-0.00303803|0.00173275|0.00065369|-0.00022749|0.00056732|0.00000619|0.00002525|-0.00035027|-0.00000537|-0.00479313|-0.00203511|0.00025969|-0.00057668|0.00141318|0.00005152|-0.00050194|-0.00000469|0.00000015|0.00001850|-0.00001337|0.00001084|0.00002024|-0.00001436|-0.00001306|-0.00008522|-0.00002260|0.00000391|0.09650432|0.00001004|0.00000435|0.00000051|0.00053393|-0.00053794|-0.00002394|-0.00419299|0.00237862|0.00018443|-0.00262921|-0.02845093|-0.00016901|-0.07389278|-0.37100851|-0.00005815|-0.00068941|-0.00269326|-0.00006177|-0.00021829|0.00173831|-0.00009969|0.00031407|0.00004535|-0.00000973|-0.00001846|0.00014848|0.00000250|0.00293406|0.00300499|-0.00011389|0.00026354|-0.00042336|-0.00001667|0.00039707|-0.00008361|-0.00001061|0.00001810|-0.00000128|-0.00000569|0.00001795|-0.00000107|0.00000452|0.00004178|0.00001354|-0.00000165|0.07744941|0.39449160|-0.00000472|0.00000287|-0.00012964|0.00002669|-0.00003842|0.00013350|-0.00015352|-0.00003369|-0.00097343|-0.00000768|-0.00180873|0.00350600|0.00073418|0.00040182|-0.04822925|0.00049111|0.00117741|0.00738163|0.00063811|-0.00017022|0.01415101|0.00000354|-0.00001911|-0.00019288|-0.00000241|0.00001459|-0.00003314|0.00029199|0.00008329|0.00238473|0.00004030|-0.00006091|0.00049230|0.00000648|0.00000337|-0.00042585|-0.00003630|0.00001578|-0.00000692|0.00003452|-0.00001461|-0.00000879|0.00000448|0.00000072|0.00002589|-0.00172173|0.00026654|0.03201142|0.00000323|0.00020620|-0.00001773|-0.00075368|0.00011057|0.00002141|0.00041372|0.00199882|0.00008443|-0.00524991|-0.00437937|0.00059170|-0.02129135|0.03007373|0.00114609|-0.19580386|0.14876146|0.00706167|0.01308998|-0.01440573|-0.00045746|-0.00219168|-0.00245548|0.00009884|-0.00000534|-0.00041676|-0.00000278|0.00019260|-0.00134289|-0.00000413|-0.00039524|-0.00009939|0.00002438|-0.00000988|0.00020958|-0.00000972|-0.00010299|-0.00001138|-0.00001093|-0.00009344|-0.00001018|0.00001853|0.00000150|-0.00002083|0.00000023|0.00008777|0.00003396|-0.00035719|0.20995720|-0.00004606|0.00007010|0.00000657|-0.00027837|0.00014746|0.00001279|0.00053813|0.00067440|-0.00003316|-0.00311361|0.00080965|0.00002101|-0.00889599|0.00862232|0.00038427|0.15475086|-0.24541880|-0.00753821|0.02291652|-0.02189470|-0.00107643|-0.00639483|-0.00320067|0.00019954|-0.00004796|0.00004501|0.00000209|-0.00049192|-0.00060645|0.00001012|-0.00015769|0.00015528|0.00000467|0.00009665|0.00003795|-0.00000046|-0.00001263|-0.00001295|-0.00000144|-0.00001443|-0.00001329|0.00000209|0.00001070|0.00000953|-0.00000042|-0.00090552|0.00178869|0.00013199|-0.15909251|0.25874082|-0.00001903|-0.00000323|-0.00050860|0.00001873|0.00000054|-0.00018767|0.00007344|-0.00008614|0.00220733|0.00059998|0.00006973|0.01167883|0.00080105|-0.00106479|0.00242648|0.00712108|-0.00731991|-0.04118343|-0.00013633|0.00031351|0.00411273|0.00006535|0.00005527|0.00104914|0.00000043|0.00001612|0.00001621|0.00000429|0.00003787|0.00035270|0.00002247|0.00000127|0.00028595|-0.00001021|-0.00000486|-0.00031558|-0.00010849|-0.00001874|0.00001212|0.00011610|0.00001913|0.00000314|0.00000041|0.00000075|0.00001175|-0.00036423|0.00009701|-0.00950021|-0.00811588|0.00791668|0.02949965|0.00003149|0.00000736|-0.00002834|0.00002422|-0.00023737|0.00002356|-0.00031631|0.00001889|-0.00002067|-0.00036159|0.00095407|0.00067589|0.00235177|-0.00296451|0.00045081|-0.01421899|-0.00466062|0.01466321|-0.14276899|-0.00749329|0.12888220|-0.01827061|0.00148967|0.01946150|0.00161692|0.00395054|0.00014467|0.00007361|-0.00073238|0.00109607|0.00023560|-0.00002675|-0.00003598|-0.00012936|0.00007294|0.00000338|-0.00004235|0.00000399|-0.00000753|-0.00002428|0.00000552|0.00000812|-0.00000669|-0.00001360|0.00000149|-0.00062578|-0.00016404|-0.00148354|0.00078387|-0.00002066|-0.00077597|0.15661920|-0.00003269|0.00014271|-0.00000217|-0.00069321|0.00127367|0.00004222|0.00257745|0.00144988|-0.00013687|-0.00281741|0.00149622|0.00047522|0.00379297|-0.00632855|0.00029162|-0.02504838|-0.00312486|0.02855025|-0.00722375|-0.06076474|0.01131941|0.02110696|0.00256305|-0.02715247|0.00057521|-0.00423192|0.00020632|-0.00040361|-0.00211456|-0.00032109|-0.00096772|-0.00017115|0.00010571|0.00018562|0.00017885|-0.00001292|-0.00006321|-0.00003323|-0.00001063|-0.00006389|-0.00003858|0.00001266|0.00000344|-0.00000079|0.00000059|-0.00076338|-0.00010754|-0.00225779|0.00081023|0.00084809|-0.00055593|0.00846904|0.06805278|-0.00002341|-0.00000055|0.00000056|-0.00005273|-0.00016776|0.00000375|-0.00002862|0.00006660|0.00001525|0.00026276|-0.00039635|-0.00011335|-0.00147725|0.00026075|0.00006476|-0.00114307|0.00045156|0.00514748|0.12736453|0.01122655|-0.23725564|-0.00063542|-0.00026055|0.00372965|-0.00117060|-0.00052310|-0.00002921|-0.00013205|0.00033198|-0.00005335|0.00012135|0.00014952|0.00000673|0.00005654|-0.00007878|0.00000674|0.00001991|-0.00000320|0.00000704|0.00001499|-0.00000094|-0.00000595|0.00000604|0.00001105|-0.00000137|0.00010274|-0.00005581|-0.00024684|0.00013335|0.00084718|0.00017610|-0.14036937|-0.01229677|0.25704710|0.00003509|0.00000704|0.00002600|0.00002584|-0.00022309|-0.00002866|-0.00030973|0.00001436|0.00004428|-0.00043075|0.00099293|-0.00063581|0.00241507|-0.00296987|-0.00067657|-0.01513032|-0.00445091|-0.01325507|-0.16219244|-0.00595054|-0.13457609|-0.01952180|0.00181454|-0.01769603|0.00168537|0.00398262|-0.00020387|0.00000232|-0.00073831|-0.00111112|0.00022733|-0.00003820|0.00001904|-0.00013279|0.00007855|0.00000783|-0.00002589|0.00000567|-0.00000659|-0.00004304|0.00000405|0.00001126|-0.00000722|-0.00001436|-0.00000129|-0.00052202|-0.00018509|0.00150269|0.00082756|-0.00009650|0.00072571|0.01491349|0.00071501|0.01661027|0.17788442|-0.00003269|0.00014256|0.00000697|-0.00069410|0.00127012|0.00002770|0.00257956|0.00144922|-0.00002732|-0.00283777|0.00149428|-0.00024122|0.00372955|-0.00631564|-0.00067823|-0.02712384|-0.00264656|-0.02675836|-0.00572488|-0.06044248|-0.00800484|0.02302658|0.00211263|0.02548559|0.00053917|-0.00423661|-0.00031880|-0.00038250|-0.00211236|0.00031477|-0.00096987|-0.00016728|-0.00003695|0.00018671|0.00017752|0.00000258|-0.00006435|-0.00003842|-0.00000847|-0.00006203|-0.00003346|0.00001459|0.00000347|-0.00000061|-0.00000084|-0.00059191|-0.00014806|0.00231057|0.00085318|0.00085266|0.00050703|0.00110126|0.00027281|0.00124901|0.00680197|0.06770147|0.00002031|0.00000243|-0.00000293|0.00003944|0.00020634|0.00000510|0.00009625|-0.00004368|0.00000840|-0.00028740|0.00035072|-0.00004482|0.00136700|-0.00014820|-0.00001075|0.00218387|-0.00025803|0.00558390|-0.13305683|-0.00788276|-0.21816757|0.00275122|0.00009691|0.00543153|0.00105249|0.00015948|-0.00009698|0.00012202|-0.00031246|0.00001992|-0.00015435|-0.00015013|0.00001104|-0.00004307|0.00007600|0.00001166|-0.00001458|-0.00000004|-0.00000449|-0.00001727|0.00000222|0.00000796|-0.00000556|-0.00001001|-0.00000102|-0.00009249|0.00007130|-0.00031056|-0.00016801|-0.00083072|0.00012542|-0.01981659|-0.00082544|-0.02853810|0.14638761|0.00869139|0.23614847|0.00008518|-0.00020938|-0.00000529|-0.00028862|-0.00016107|-0.00002983|-0.00092486|-0.00077920|0.00001001|0.00107284|-0.00005961|-0.00003364|-0.00133498|0.00096106|0.00005633|-0.00276537|0.00246641|0.00018014|0.01307817|0.01932905|-0.00013215|-0.15655184|-0.13539302|0.00277651|-0.02047690|-0.03316184|0.00077134|-0.00469418|0.00404595|0.00073359|0.00018168|-0.00189146|-0.00003736|-0.00003465|0.00037267|0.00001099|-0.00001177|0.00002164|-0.00001085|-0.00001113|0.00002155|0.00001201|-0.00006944|-0.00002672|0.00000310|0.00017889|-0.00008953|-0.00001134|0.00047972|0.00114780|-0.00001611|0.00092508|-0.00083231|0.00020143|0.00097497|-0.00085806|-0.00026893|0.16976641|0.00002446|0.00003845|-0.00000043|-0.00013622|0.00042148|0.00001732|0.00057137|0.00039623|-0.00001342|-0.00063311|0.00046546|0.00002553|0.00103034|-0.00027563|-0.00004006|0.00621708|-0.00206748|-0.00026173|-0.01847386|-0.02313074|0.00043715|-0.14001861|-0.28148818|0.00311817|0.00518848|0.00639354|-0.00020726|0.00155223|0.00088580|-0.00017345|-0.00035796|-0.00017667|0.00001534|-0.00001577|0.00012886|0.00000002|-0.00003540|-0.00000530|-0.00000879|-0.00003465|-0.00000547|0.00001128|-0.00000193|-0.00000864|-0.00000018|-0.00013039|0.00002832|0.00000584|-0.00090054|-0.00167891|0.00002103|0.00008219|0.00076174|-0.00087478|0.00013071|0.00075503|0.00087627|0.14542863|0.29648122|-0.00000351|0.00000820|-0.00001516|-0.00002953|0.00001781|-0.00106841|0.00002209|0.00003600|-0.00047634|-0.00004008|0.00000204|0.00018481|0.00005740|-0.00003791|-0.00003833|0.00021117|-0.00012050|0.00151277|-0.00045663|-0.00095303|0.00500390|0.00273638|0.00295090|-0.04891064|0.00109951|0.00119578|0.00834904|0.00071569|-0.00026052|0.01443045|-0.00002498|0.00007221|-0.00042747|0.00000758|-0.00001380|0.00018629|0.00000262|-0.00000202|0.00000000|-0.00000240|0.00000033|-0.00000048|0.00000331|0.00000076|0.00002093|-0.00001173|0.00000459|-0.00010816|-0.00003367|-0.00005459|-0.00022032|-0.00091901|0.00045550|0.00024867|0.00086814|-0.00038282|0.00020845|-0.00382145|-0.00303452|0.03123177|0.00001740|0.00013461|-0.00000102|0.00043789|-0.00048880|-0.00002430|-0.00038977|-0.00136396|0.00000898|-0.00536805|-0.00277794|0.00024567|-0.00100363|0.00090157|0.00004032|0.00016088|-0.00054201|-0.00001615|-0.00332938|-0.00236203|0.00064862|-0.01240238|0.03673070|0.00099653|-0.10483180|0.10223775|0.00296202|0.01434999|-0.02662797|-0.00061326|-0.00026688|-0.00022081|-0.00001610|-0.00050141|-0.00006635|-0.00001311|-0.00005700|-0.00000558|-0.00002898|-0.00005356|-0.00000579|0.00003281|0.00004883|0.00002302|-0.00000139|0.00012877|-0.00007112|-0.00000498|0.00014401|0.00013431|-0.00000626|-0.00076362|0.00073604|0.00012205|-0.00062668|0.00058267|-0.00008054|0.00057817|0.00057241|-0.00038886|0.11376440|0.00003446|0.00008697|-0.00000027|0.00035504|-0.00048731|-0.00001610|-0.00023259|-0.00120652|-0.00000016|-0.00467530|-0.00038513|0.00014457|-0.00063031|0.00061536|0.00002985|-0.00014165|0.00007410|0.00000704|-0.00045868|0.00163148|-0.00009554|-0.00068894|0.00109533|-0.00001778|0.10186618|-0.34458629|-0.00626243|0.00984595|-0.02322915|-0.00058329|0.00084804|-0.00105339|-0.00003172|0.00162840|0.00123227|-0.00004219|-0.00007793|-0.00000416|-0.00002503|-0.00007621|-0.00000465|0.00003062|0.00001917|0.00001484|-0.00000064|0.00006904|-0.00008996|-0.00000340|0.00009953|0.00004688|-0.00000283|0.00017379|-0.00006577|0.00006264|0.00013531|-0.00002873|-0.00007015|-0.00030256|0.00210486|0.00011542|-0.10781159|0.36380194|-0.00000180|-0.00000384|-0.00003956|-0.00001796|0.00001446|-0.00013022|0.00001518|0.00003922|0.00009671|0.00023294|0.00008206|0.00206354|0.00002645|-0.00002609|-0.00012529|-0.00001251|0.00002128|-0.00015198|0.00066939|-0.00003030|0.01498435|0.00067783|-0.00138743|0.00613997|0.00295341|-0.00627742|-0.04770847|-0.00029558|0.00075088|0.00370584|-0.00000896|0.00000578|-0.00065977|-0.00000044|0.00002031|-0.00088883|-0.00001554|-0.00000415|-0.00000024|0.00001816|0.00000450|-0.00000316|-0.00000140|-0.00000073|0.00000541|-0.00000379|0.00000176|0.00000990|-0.00000653|-0.00000421|-0.00005566|-0.00196944|0.00211246|-0.00020163|0.00200104|-0.00215586|-0.00037845|-0.00039681|0.00008534|-0.01018746|-0.00387510|0.00676097|0.03325810|0.00053149|0.00026904|-0.00003887|0.00102027|-0.00155765|0.00081636|-0.00037263|0.00048378|-0.00054993|-0.00137573|0.00012805|0.00140359|0.00048278|-0.00001086|0.00040151|-0.00004680|0.00008029|-0.00000554|0.00002019|0.00004400|0.00009628|-0.00005644|-0.00013941|0.00010338|-0.00010525|0.00037433|-0.00006989|0.00016429|0.00401067|-0.00189225|-0.01351074|-0.00211998|-0.01021206|-0.20394658|0.07176052|-0.22186291|-0.00016551|-0.00002807|-0.00032563|0.00001967|0.00002841|0.00012492|0.00001418|0.00012011|-0.00011645|-0.00007725|0.00006782|-0.00004818|-0.00004256|-0.00001290|-0.00003658|-0.00003765|-0.00002009|0.00001281|-0.00000848|-0.00004178|-0.00000347|-0.00008198|-0.00002802|-0.00012155|-0.00003448|0.00001385|-0.00037861|0.20142888|0.00025613|0.00000659|0.00062637|0.00058919|0.00137121|0.00153763|0.00248774|0.00038135|-0.00207513|-0.00077990|-0.00288134|-0.00075491|-0.00011799|-0.00029056|-0.00040097|0.00001176|0.00005301|0.00003277|-0.00007742|0.00002811|0.00001686|0.00000452|0.00020877|0.00002031|-0.00007894|-0.00008985|0.00059469|-0.00235096|-0.00127505|0.00104370|0.02933345|-0.01242010|0.03305399|0.04494269|-0.04440792|0.01512503|-0.00073276|-0.00035625|-0.00042708|-0.00024428|-0.00006083|0.00011289|-0.00013739|0.00019526|-0.00022629|0.00009050|-0.00004853|0.00004093|-0.00000945|-0.00001191|0.00004886|-0.00001672|-0.00001802|0.00000338|0.00000056|-0.00004018|0.00000080|-0.00001869|-0.00001135|-0.00009256|0.00013429|0.00022124|-0.00035290|-0.06691632|0.05925457|0.00018046|-0.00009756|0.00018552|-0.00016837|-0.00087469|0.00021944|-0.00009532|-0.00024002|0.00035887|0.00083768|-0.00064079|-0.00067229|-0.00037824|0.00014445|-0.00011037|0.00011890|-0.00003399|-0.00001348|-0.00004163|-0.00001128|0.00000643|0.00012860|0.00007274|-0.00007438|-0.00019878|-0.00026781|-0.00003561|0.00121315|-0.00056418|0.00012671|0.00307868|-0.00025933|0.00904122|-0.18507901|0.04264677|-0.32733888|-0.00000862|0.00030144|0.00012689|-0.00001363|0.00004302|-0.00036555|0.00008681|-0.00008979|-0.00003499|0.00001796|-0.00003928|0.00003619|0.00002239|-0.00000240|0.00000796|0.00002696|0.00000387|-0.00001320|0.00001244|0.00000607|0.00000431|0.00004082|0.00001792|0.00004052|-0.00008491|0.00001344|0.00014804|0.20822248|-0.04450140|0.34776145|0.00051991|0.00027487|0.00001811|0.00096794|-0.00147563|-0.00089644|-0.00031943|0.00049132|0.00060885|-0.00153472|0.00019568|-0.00133578|0.00047636|-0.00001626|-0.00044596|-0.00005500|0.00008273|0.00001010|0.00001612|0.00004670|-0.00009622|-0.00007341|-0.00014252|-0.00010583|-0.00008649|0.00039042|0.00007955|0.00021623|0.00401031|0.00194807|-0.01285598|-0.00227981|0.01176219|-0.17493007|0.06514574|0.21177396|0.00000934|0.00002749|-0.00015187|-0.00014019|-0.00005545|0.00034475|0.00001606|0.00012473|0.00011489|-0.00007372|0.00006918|0.00005754|-0.00004121|-0.00001341|0.00004003|-0.00000903|-0.00004232|0.00000375|-0.00004031|-0.00002032|-0.00001112|-0.00007540|-0.00003144|0.00012951|-0.00000169|0.00000698|0.00039006|0.01618032|-0.00637002|-0.02791880|0.17183437|0.00021266|0.00001504|-0.00064650|0.00047115|0.00138416|-0.00155921|0.00263567|0.00034961|0.00188746|-0.00071405|-0.00290859|0.00077475|-0.00009377|-0.00029304|0.00040621|0.00001164|0.00005296|-0.00003272|-0.00007927|0.00002823|-0.00001064|0.00000570|0.00021005|-0.00001596|-0.00012511|-0.00008530|-0.00058771|-0.00240088|-0.00126543|-0.00089355|0.02686875|-0.01187828|-0.03543757|0.04100005|-0.04349219|-0.01347139|-0.00025162|-0.00005861|-0.00008971|-0.00070073|-0.00035845|0.00047219|-0.00011888|0.00019036|0.00023934|0.00008670|-0.00004820|-0.00004884|-0.00001276|-0.00001116|-0.00004836|0.00000067|-0.00004009|-0.00000162|-0.00001645|-0.00001796|-0.00000225|-0.00001132|-0.00001262|0.00009274|0.00015658|0.00021580|0.00034390|-0.00650579|0.00019179|0.00437280|-0.06041894|0.05783193|-0.00020220|0.00007515|0.00018831|0.00012115|0.00100520|0.00026272|0.00018831|0.00020484|0.00034136|-0.00078657|0.00059248|-0.00049175|0.00033380|-0.00014701|-0.00010149|-0.00011586|0.00002905|-0.00000527|0.00003969|0.00000838|0.00001049|-0.00012863|-0.00005805|-0.00005879|0.00020024|0.00023929|-0.00006138|-0.00125666|0.00024858|0.00006857|-0.00104539|0.00009190|0.00784094|0.17458288|-0.04285705|-0.35726803|-0.00001782|-0.00004061|-0.00035752|0.00001674|-0.00030616|0.00010398|-0.00009240|0.00008447|-0.00003178|-0.00000833|0.00003273|0.00003310|-0.00001897|0.00000303|0.00000594|-0.00001143|-0.00000375|0.00000483|-0.00002519|-0.00000257|-0.00001049|-0.00003253|-0.00001659|0.00003517|0.00009794|-0.00001302|0.00011885|0.02448058|-0.00342697|-0.02940479|-0.19631934|0.04425667|0.37877704| 161.09530 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 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 50.0386 112.2732 119.5843 152.7776 189.9411 241.2935 267.6248 308.5361 353.4672 402.7463 491.8655 496.4292 502.1034 586.0044 629.5314 729.6599 730.5883 760.7901 815.0579 834.1540 874.1924 884.9306 904.6457 979.0164 1008.3480 1071.6480 1079.4666 1115.3470 1123.5096 1151.4371 1168.2044 1231.9750 1323.3872 1330.8379 1370.8067 1374.8773 1396.2008 1415.0454 1510.3684 1547.2920 1564.5443 1575.8044 1578.9641 1623.6532 1628.0039 1629.2852 1653.2030 1692.3775 1783.0275 1834.9255 1914.3144 1933.5633 3166.1483 3177.3838 3202.8972 3250.0951 3305.6561 3331.8983 3349.0213 3388.0965 3428.4431 3731.7422 3810.8126 2.3575 1.5128 1.3998 2.8211 1.2773 3.5427 3.2482 4.1835 3.7439 6.0650 2.2443 3.9046 5.6765 4.5284 5.1910 3.7102 4.1491 2.5154 1.5039 5.0348 2.7469 1.9275 2.0754 5.3874 3.1046 2.2542 1.6331 1.2562 1.6036 1.2677 1.4967 2.9117 3.2874 1.2599 1.2843 1.0868 2.2899 1.9048 2.5546 1.5713 1.4670 2.0711 1.5732 1.1030 1.0447 1.1227 6.0561 6.3697 5.2915 1.2120 7.0383 6.8360 1.0613 1.1007 1.0398 1.1021 1.1001 1.0885 1.0888 1.0926 1.0944 1.0494 1.0952 0.0035 0.0112 0.0118 0.0388 0.0272 0.1215 0.1371 0.2346 0.2756 0.5796 0.3199 0.5670 0.8432 0.9162 1.2121 1.1638 1.3048 0.8578 0.5886 2.0641 1.2368 0.8893 1.0007 3.0423 1.8598 1.5253 1.1212 0.9207 1.1926 0.9902 1.2035 2.6038 3.3921 1.3147 1.4219 1.2104 2.6301 2.2472 3.4335 2.2165 2.1157 3.0301 2.3109 1.7132 1.6314 1.7560 9.7521 10.7488 9.9117 2.4044 15.1965 15.0581 6.2685 6.5474 6.2847 6.8591 7.0826 7.1197 7.1952 7.3895 7.5793 8.6099 9.3710 1.9116 8.1718 3.3437 0.4917 39.5638 3.1453 1.6607 3.3190 0.4306 0.3442 18.6710 0.6074 2.3984 16.4573 4.9925 1.7755 6.7684 3.1721 32.1784 34.0114 35.0268 6.8636 102.8398 9.4538 49.1445 11.4565 24.5674 0.1378 3.4613 0.0035 0.4886 23.0369 4.2176 0.9460 10.7864 0.0018 36.2761 19.4705 139.2555 50.0224 3.6203 85.1817 17.8907 0.2460 6.9276 20.3957 14.8150 53.3970 2.3169 22.3001 3.4897 120.4533 63.0757 34.3647 43.2690 32.6849 14.5617 26.1325 16.4350 9.5639 8.7625 3.7289 6.4499 1.1360 0.1948 0.1331 0.7921 2.0660 1.4941 1.5721 1.5007 0.3766 8.6394 11.3173 0.0476 3.1181 0.0183 13.2980 3.9298 8.0856 2.2062 11.7334 3.5278 3.0295 9.2590 9.9800 0.2310 7.6926 0.4862 0.5191 5.7639 2.3140 6.7568 1.9215 2.7624 11.3774 2.9499 20.9212 6.3804 4.0965 4.2714 54.2038 5.3982 11.1352 37.3597 25.9729 66.5012 20.4369 31.8966 9.4510 117.6264 18.2144 18.5231 240.0344 111.7455 246.2674 164.1492 169.5775 94.1678 76.5178 125.2461 133.7040 79.1299 80.3342 187.8597 95.3946 0.7500 0.7500 0.7500 0.7500 0.7500 0.6946 0.7227 0.7500 0.7500 0.3782 0.7500 0.7500 0.7493 0.1100 0.1328 0.7498 0.4707 0.7500 0.7500 0.4878 0.7304 0.7500 0.1823 0.2914 0.2494 0.3437 0.7500 0.7500 0.1717 0.7500 0.7500 0.5321 0.3870 0.7500 0.5161 0.7500 0.2886 0.5721 0.7492 0.4705 0.6571 0.6940 0.4503 0.4805 0.7500 0.6519 0.3738 0.2352 0.4849 0.5811 0.2684 0.2763 0.1516 0.7500 0.0402 0.7500 0.6845 0.3714 0.3131 0.2120 0.2426 0.1488 0.7500 0.8571 0.8571 0.8571 0.8571 0.8571 0.8198 0.8391 0.8571 0.8571 0.5489 0.8571 0.8571 0.8567 0.1982 0.2344 0.8570 0.6401 0.8571 0.8571 0.6558 0.8442 0.8571 0.3084 0.4513 0.3992 0.5116 0.8571 0.8571 0.2931 0.8571 0.8571 0.6946 0.5580 0.8571 0.6809 0.8571 0.4479 0.7278 0.8566 0.6400 0.7931 0.8194 0.6210 0.6491 0.8571 0.7893 0.5442 0.3808 0.6531 0.7351 0.4232 0.4329 0.2633 0.8571 0.0773 0.8571 0.8127 0.5416 0.4769 0.3498 0.3905 0.2590 0.8571 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 6 6 7 7 6 6 6 6 6 6 6 7 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 931.40951 2471.54075 3371.78053 1.00000 -0.00015 0.00000 0.00015 1.00000 -0.00002 -0.00000 0.00002 1.00000 1 0.09299 0.03504 0.02569 1.93765 0.73021 0.53525 71.99 161.54 172.06 219.81 273.28 347.17 385.05 443.91 508.56 579.46 707.68 714.25 722.41 843.13 905.76 1049.82 1051.15 1094.61 1172.69 1200.16 1257.77 1273.22 1301.58 1408.59 1450.79 1541.86 1553.11 1604.74 1616.48 1656.66 1680.79 1772.54 1904.06 1914.78 1972.29 1978.14 2008.82 2035.93 2173.08 2226.21 2251.03 2267.23 2271.78 2336.07 2342.33 2344.18 2378.59 2434.95 2565.38 2640.05 2754.27 2781.97 4555.38 4571.55 4608.25 4676.16 4756.10 4793.86 4818.49 4874.72 4932.76 5369.14 5482.91 0.205468 0.215711 0.216655 0.169268 -510.298517 -510.288274 -510.287330 -510.334717 1.589368D-04 MUNgauss RevisionA2.1 retrievium 16-Nov-2022 GDB_13 Smiles: CC1=NN2C=CCC=CC2=C1N RHF 6-31G(d) (6D,10F) C1 161.095297 |X|Y|Z| 24.003929 38.190326 8.334587 19.695784 10 6 7 8 2 |36.858105| |12.721816|36.858105| |7.805771|14.697443|53.358707| |5.358855|9.006743|19.277039|53.358707| |3.999439|5.569574|11.074961|18.574474|36.858105| |3.184387|4.171300|7.186256|10.572231|14.447187|36.858105| |2.845415|3.660938|5.718711|8.084717|7.384474|12.660424|36.858105| |3.075677|4.039409|5.863409|8.324484|6.029826|7.302717|12.665545|36.858105| |3.759759|5.229216|7.115871|10.307463|6.058458|6.050680|7.395316|14.400153|36.858105| |5.180163|8.608924|11.608395|19.167060|7.618752|6.114450|5.871173|7.565137|13.054293|36.858105| |7.266198|13.401648|11.600715|11.916515|5.361252|4.334223|4.131410|5.051797|7.533205|13.932212|36.858105| |5.871878|7.417750|7.179734|7.302947|3.894708|3.409486|3.449929|4.343566|6.217840|7.700487|13.446762|53.358707| |17.538499|8.883954|8.212771|6.232203|3.528684|2.898322|2.647358|2.889338|3.516779|4.626894|6.431901|7.898497|0.500000| |17.538378|8.883752|8.212709|6.232231|3.528366|2.898089|2.647243|2.889355|3.516866|4.626815|6.431819|7.898891|0.302085|0.500000| |17.607680|8.962535|10.180432|6.730160|3.929958|3.101639|2.698352|2.813813|3.308490|4.419729|5.481892|6.059057|0.300808|0.300804|0.500000| |3.978680|5.204839|10.828085|12.744107|17.783349|9.171600|5.412314|4.507338|4.563564|5.703008|4.578120|4.660702|0.096664|0.096651|0.114298|0.500000| |2.810334|3.506540|5.965490|7.728154|9.437817|17.698805|8.771005|5.393765|4.528701|4.573142|3.523015|3.905343|0.071534|0.071526|0.077754|0.229369|0.500000| |2.570165|3.210309|4.937079|6.551643|5.855575|9.013614|17.475367|9.040480|5.866743|4.768632|3.570846|4.186219|0.067751|0.066133|0.068174|0.129194|0.214771|0.500000| |2.570040|3.210141|4.937132|6.551935|5.855681|9.013685|17.475448|9.040482|5.866193|4.768146|3.570465|4.185705|0.066132|0.067744|0.068173|0.129193|0.214754|0.307227|0.500000| |2.684472|3.372343|4.748307|6.212179|4.518780|5.401719|8.807480|17.672563|9.336951|5.542954|4.171332|5.261707|0.071147|0.071149|0.068358|0.100295|0.122208|0.216490|0.216512|0.500000| |3.590292|4.731414|5.984453|7.655733|4.552924|4.518541|5.434800|9.238924|17.734593|9.018127|7.092675|9.682762|0.095623|0.095630|0.086201|0.101981|0.100480|0.129865|0.129855|0.229565|0.500000| |5.814839|6.585955|6.457866|6.316779|3.495084|3.076783|3.092235|3.781895|5.094782|6.086417|9.431174|25.900309|0.177580|0.154595|0.122413|0.087300|0.073216|0.078732|0.076399|0.095304|0.159329|0.500000| |5.815288|6.586511|6.458380|6.317235|3.494992|3.076651|3.092142|3.781967|5.095043|6.086530|9.431409|25.900249|0.154593|0.177605|0.122421|0.087296|0.073211|0.076404|0.078720|0.095308|0.159351|0.326604|0.500000| 509.957855 -2547.399963 919.538934 -70.602922 -1188.506095 678.002110 -510.503985 2.001071 4043FFFFFFFFFFF7 41AD1D19C5FFFFFF 4145AA7E57D05F41 40C3377FFFFFFFFE C008000000000000 418D11DAC7FFFFFF