Version2.5 2023-01-03T20:03:01Z 10.1021/ja902302h Gaussian16 RevisionB.01 RPOIRIER 27-Dec-2022 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) GDB_13 Smiles: CC1NC2(C)CNN=CNC2=C1 RHF 6-31G(d) (6D,7F) CC1NC2(C)CNN=CNC2=C1 C1[X(C8H14N4)] 72 C1 208 CC1NC2(C)CNN=CNC2=C1 CC1C=C2C(N1)(C)CNN=CN2 CC1NC2(C)CNN=CNC2=C1 InChIKey=LEFDQKMNNWPRHP-UHFFFAOYSA-N InChI=1S/C8H14N4/c1-6-3-7-8(2,12-6)4-10-11-5-9-7/h3,5-6,10,12H,4H2,1-2H3,(H,9,11) InChI=1/C8H14N4/c1-6-3-7-8(2,12-6)4-10-11-5-9-7/h3,5-6,10,12H,4H2,1-2H3,(H,9,11)/f/h9H CC1NC2(C)CNN=CNC2=C1 C01[X(C8H14N4)] 72 C1 208 CC1NC2(C)CNN=CNC2=C1 C[C@@H]1C[C@@H]2[C@](N1)(C)CNNCN2 C[C@@H]1C[C@H]2NCNNC[C@]2(C)N1 InChIKey=RBRUOLOCGCAMMP-PRJMDXOYSA-N InChI=1S/C8H18N4/c1-6-3-7-8(2,12-6)4-10-11-5-9-7/h6-7,9-12H,3-5H2,1-2H3/t6-,7-,8+/m1/s1 InChI=1/C8H18N4/c1-6-3-7-8(2,12-6)4-10-11-5-9-7/h6-7,9-12H,3-5H2,1-2H3/t6-,7-,8+/m1/s1 5.282611197594D+02 -2.752966197359D+03 758.8195227964 -528.8104231 1-A 1901.8156 45 163 208 |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|A|A| -15.59089 -15.56641 -15.56376 -15.53416 -11.29939 -11.26383 -11.26143 -11.25186 -11.24181 -11.21357 -11.20969 -11.20081 -1.31775 -1.24604 -1.22495 -1.10556 -1.04545 -1.01928 -0.96649 -0.91674 -0.86547 -0.79760 -0.78503 -0.73905 -0.71365 -0.67927 -0.65201 -0.64216 -0.62452 -0.60963 -0.57383 -0.56225 -0.56018 -0.55233 -0.53657 -0.52239 -0.49761 -0.49512 -0.47990 -0.47260 -0.46291 -0.39866 -0.37690 -0.34080 -0.29709 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.17832 0.21821 0.22787 0.23840 0.25460 0.27051 0.29049 0.29711 0.30281 0.30851 0.31249 0.33299 0.33484 0.34145 0.34534 0.35749 0.38018 0.39975 0.41786 0.43004 0.43273 0.45229 0.46089 0.49229 0.51032 0.52344 0.56063 0.63981 0.65116 0.72832 0.73893 0.76429 0.76997 0.79014 0.80285 0.81086 0.82195 0.83306 0.84654 0.87020 0.87804 0.88946 0.91459 0.92442 0.93017 0.95068 0.95956 0.98362 0.99872 1.01445 1.03056 1.05669 1.06461 1.08289 1.08588 1.10076 1.11813 1.12156 1.12492 1.13927 1.15813 1.17355 1.17553 1.18134 1.18566 1.21298 1.22441 1.22975 1.24275 1.25372 1.25592 1.26205 1.26976 1.27811 1.29793 1.31248 1.34193 1.36162 1.40586 1.44514 1.49666 1.51057 1.55502 1.58995 1.64127 1.68797 1.70206 1.71431 1.75785 1.76820 1.79745 1.82740 1.85554 1.90221 1.94169 1.96865 1.98886 2.01731 2.04635 2.08273 2.11981 2.12588 2.13522 2.18716 2.20372 2.22688 2.26114 2.27410 2.28253 2.29554 2.30685 2.32635 2.34937 2.38395 2.42581 2.45922 2.48037 2.48995 2.51249 2.53877 2.56513 2.58202 2.60073 2.62522 2.66910 2.67297 2.69437 2.71415 2.73031 2.76602 2.79488 2.80535 2.83875 2.87127 2.88771 2.92960 2.94030 2.97525 2.98990 3.02263 3.02820 3.04829 3.12177 3.17792 3.19602 3.22363 3.24508 3.30709 3.38151 3.51760 3.60187 4.32177 4.40374 4.43425 4.52173 4.61971 4.67829 4.72777 4.75387 4.82159 4.93871 5.05059 5.24173 12.93646 -0.9779 0.4097 -2.4189 2.6411 |XX|YY|ZZ|XY|XZ|YZ| -75.2829 -65.6678 -72.4615 -1.4487 -2.1271 6.6587 |XX|YY|ZZ|XY|XZ|YZ| -4.1455 5.4696 -1.3241 -1.4487 -2.1271 6.6587 |XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| -16.6436 -4.0747 9.2891 3.0939 0.6992 -13.5962 10.7415 -1.1855 -6.9860 10.3910 |XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY| -1558.2170 -563.6604 -445.5982 -28.1179 -40.1422 -25.1849 35.4500 22.9021 27.1681 -323.0276 -324.3897 -165.8522 30.6810 -10.5590 0.2900 0 |0.63466956|-0.03113618|0.61334408|0.03831079|0.03511388|0.61454607|-0.11869498|-0.02811411|0.04578700|0.66567089|-0.03032555|-0.13655366|0.05896515|-0.01807293|0.56124564|0.04062216|0.05089364|-0.16210285|0.01094211|-0.03428512|0.57629606|-0.01351741|-0.02546820|-0.01457856|-0.14705095|-0.03504890|-0.03377820|0.62684200|-0.01517736|-0.02113991|-0.01285636|-0.04398028|-0.16222253|-0.07905786|-0.08674432|0.70284728|0.00944064|0.01324485|0.01524882|-0.01442755|-0.03680303|-0.11341593|-0.08788067|0.12436097|0.27500770|-0.00056588|0.00128799|-0.00032363|-0.02757054|-0.02263732|0.00063279|-0.18730629|-0.01432647|0.03595075|0.59828655|-0.00337797|-0.00499376|-0.00432994|-0.02060905|-0.01135970|0.01925896|-0.02928745|-0.12061422|-0.00131139|0.02841690|0.62910462|0.00142331|-0.00198033|-0.00200081|-0.01923532|0.00831953|0.00111333|0.08867135|-0.00189191|-0.11604261|0.00966858|0.03305254|0.54943704|-0.00106877|-0.00129507|-0.00137499|0.00182497|0.00133568|0.00557769|-0.00852231|-0.03199152|0.03122826|-0.09684712|0.01644601|-0.01450974|0.66776418|-0.00032615|0.00057440|0.00021478|0.00091767|-0.00225106|0.00040079|-0.00349142|-0.00194207|0.00600914|0.01000026|-0.15249674|0.05422821|0.01250274|0.57958005|-0.00047445|0.00094665|0.00053120|0.00145352|-0.00239941|-0.00099959|0.00988372|0.01860358|-0.01764509|-0.01019884|0.04608173|-0.14290883|-0.00258783|0.05752489|0.59898472|0.00005413|-0.00002502|-0.00004264|-0.00507787|0.00220722|-0.00055838|-0.03114987|-0.01817475|-0.01321262|-0.14614154|-0.02019414|-0.04804603|-0.00294716|0.00320833|-0.00898849|0.61000352|-0.00023380|-0.00015387|-0.00048705|-0.00242136|0.00141972|-0.00142647|-0.01012501|-0.00603185|-0.00507631|-0.01865447|-0.09977475|-0.02018081|0.02171284|0.00668818|0.02041682|0.00346429|0.60425830|0.00027035|0.00042830|0.00079906|0.00386177|-0.00139833|-0.00200546|0.01430624|0.00721379|0.01198991|-0.05526359|-0.03263945|-0.14449891|-0.01745091|0.00000126|-0.01811891|-0.07835516|0.01605759|0.66772736|0.00034048|-0.00057964|0.00005883|0.00039347|0.00135465|0.00154840|0.00039057|-0.00139940|-0.00140516|-0.00992525|0.02650603|-0.01114685|-0.00379090|-0.00232198|-0.00227866|-0.10621961|0.09554772|-0.02655343|0.44955950|0.00027230|0.00013101|0.00042271|0.00013235|-0.00079218|-0.00046819|0.00063186|0.00185890|-0.00060540|0.00204722|0.00191699|0.00176685|-0.00073258|0.00108803|-0.00095795|0.03971450|-0.19641230|0.04237305|-0.15028078|0.37837459|-0.00012550|0.00020712|-0.00022293|-0.00002128|-0.00025393|-0.00048070|-0.00010278|-0.00100764|0.00175237|-0.01548372|0.03151047|-0.01587635|-0.00662775|-0.00280026|-0.00390945|-0.02101062|0.05098047|-0.14364229|0.12130108|0.06307229|0.77653780|-0.00024385|0.00057398|0.00001304|0.00041249|-0.00131271|-0.00137917|0.00080505|0.00101880|0.00132587|-0.00256064|0.00000597|-0.00101466|0.00076866|0.00015121|-0.00002488|-0.03295587|0.00066886|0.01415303|-0.19738952|0.07489719|0.06852368|0.36892904|-0.00000440|0.00010992|0.00009516|0.00024511|-0.00078568|-0.00016446|0.00025794|0.00118194|0.00047119|-0.00286150|0.00034264|-0.00018424|0.00000795|-0.00008719|0.00009512|0.03215711|-0.01733387|-0.03037116|0.05581564|-0.07951403|-0.01233234|-0.06773191|0.21513008|-0.00017764|0.00032227|-0.00001923|0.00009040|-0.00058888|-0.00057501|-0.00022402|0.00058919|0.00096937|-0.00049754|-0.00128685|0.00044726|0.00047311|0.00006286|0.00025955|0.00208686|0.00091439|0.00571036|0.08705056|-0.05502734|-0.17840991|0.01720584|0.26967543|0.93495329|0.00013044|-0.00094701|0.00005967|-0.00081930|0.00169454|0.00449354|-0.00041984|-0.00307446|-0.00317754|0.00388090|0.00409929|0.00262382|-0.00138233|-0.00071911|-0.00071573|0.00892299|-0.00033664|0.01329142|-0.01984108|0.02217198|0.05581435|-0.13956494|-0.02352180|-0.12404877|0.73754318|0.00024556|-0.00077241|-0.00028714|-0.00063860|0.00210403|0.00029567|-0.00082359|-0.00084669|-0.00071710|0.00351015|0.00098573|0.00028135|-0.00000638|-0.00001638|-0.00011556|0.00308293|0.00023750|-0.00365606|-0.00728322|-0.00280928|-0.02022524|0.00136697|-0.13530249|-0.17940520|-0.08869022|0.30199234|0.00067074|-0.00117117|-0.00014232|0.00059602|0.00331418|0.00145976|-0.00085372|-0.00208387|-0.00258535|0.00396231|0.00347506|0.00329545|-0.00140948|-0.00057830|-0.00055833|-0.00024897|-0.00333885|0.00844776|-0.00999468|-0.00792796|-0.05377253|-0.04659872|-0.19202199|-0.67051468|0.01367069|0.29484834|1.04480934|-0.00167040|0.00351307|0.00083771|0.00023559|-0.01112301|-0.00612847|0.00319461|0.00236394|0.00271167|-0.01036875|-0.00159181|0.00568522|0.00124702|-0.00093738|-0.00023776|-0.00552203|0.00388115|-0.00603442|0.02152098|-0.00078913|0.00044380|-0.02651731|-0.01385365|-0.02895604|-0.27987009|0.04275398|-0.07728093|0.74458339|0.00033195|0.00011524|0.00014672|-0.00457283|-0.00189196|-0.00574125|0.00314721|-0.00577416|-0.00434027|0.02864846|0.00305017|-0.01001556|-0.00144907|0.00031245|0.00051005|0.00312669|-0.00181770|0.00387803|-0.00998738|-0.00656075|0.00694020|-0.00689335|0.03524896|-0.01497511|-0.01096374|-0.08445718|-0.06395089|-0.04524949|0.37840281|-0.00203628|0.00198705|0.00116057|0.00107307|-0.00833238|0.01109294|0.00184216|-0.00494953|-0.00006035|0.02065802|0.00089383|-0.00889770|0.00151578|0.00114253|-0.00045747|-0.00283171|0.00261534|-0.00124999|0.00605016|0.00598895|0.00924686|-0.06825034|-0.01349106|-0.03550024|-0.07814477|-0.03589755|-0.17985042|0.02505881|0.37041758|0.60742291|-0.00045857|0.00193665|-0.00024746|-0.04232195|0.00020445|0.01536356|-0.02804644|0.02788209|0.02055253|-0.09475939|0.00474525|-0.00122468|0.00138148|0.00290618|0.00012523|0.01209411|-0.02825828|-0.01539049|-0.00768905|-0.00384199|-0.00061502|0.01621706|0.00516692|0.00469731|-0.05576726|-0.00519641|0.00817348|-0.28308234|0.04274757|0.07904440|0.95151876|0.00122664|-0.00258678|-0.00209880|0.00995048|0.01593472|0.00370679|0.00775930|0.00018754|-0.00234854|0.01683365|-0.19917026|-0.05876295|0.00524353|-0.03431276|-0.00707926|-0.00669829|-0.00751384|-0.01072490|0.00313705|-0.00105170|0.00149198|-0.00545346|-0.00109945|-0.00291760|0.00952689|0.00000028|0.01487408|0.00784939|-0.10340482|-0.05912776|0.19541461|0.63239352|0.00237854|-0.00298974|-0.00181338|0.01620375|0.00657383|0.00093569|0.01995595|-0.02003828|-0.01400649|0.00845185|-0.05529452|-0.11208450|-0.00686394|0.02061506|0.01753691|0.00028871|-0.02345999|-0.01605164|0.00404541|-0.00042728|0.00209176|-0.00629719|-0.00227660|-0.00248999|-0.00645969|0.01367621|0.02552058|0.07594960|-0.06460177|-0.15016117|-0.10428736|0.17594001|0.35048453|-0.01711503|0.00662780|0.01261574|-0.17787618|0.05570335|0.05879982|0.00894319|-0.00469324|-0.00479781|0.00649667|-0.01025963|-0.00103229|-0.00088250|0.00217842|-0.00041152|-0.00174389|0.00182542|0.00048954|0.00338063|-0.00038136|-0.00108241|-0.00459373|-0.00061436|-0.00121458|0.00817376|0.00211938|0.00772606|-0.04967843|-0.01924275|0.00429820|-0.46807513|-0.24862509|-0.01356945|0.78591842|-0.01614027|0.01826525|0.01131129|0.03488910|-0.12906593|-0.03680537|0.01779141|-0.03495204|-0.02353747|-0.02493037|-0.02877111|-0.01056112|-0.00013150|-0.00180821|-0.00407780|0.00467633|-0.00402682|-0.00110573|0.00038612|0.00157674|0.00010409|0.00012490|-0.00012786|0.00111193|0.00161168|0.00069567|-0.00489368|0.01485173|0.01657915|0.00485454|-0.24045650|-0.28288096|-0.04351005|0.23495638|0.77022806|0.02049174|-0.01125336|-0.01240469|0.04268342|-0.03804589|-0.11817621|0.01432426|-0.02539826|-0.01468759|-0.01020476|-0.01072560|0.00692968|0.00035518|-0.00043484|-0.00229028|0.00159555|-0.00120267|-0.00129955|-0.00149060|-0.00119120|-0.00162236|0.00176550|0.00086209|0.00206718|-0.00197127|-0.00064893|-0.00627350|0.02591445|0.01025744|0.01396152|-0.00793382|-0.04246623|-0.08795021|-0.06744714|0.23969779|0.30631772|-0.19109459|0.10369874|0.09580932|-0.01253576|0.01162028|0.00756128|0.00181651|0.00031965|-0.00142302|-0.00056255|0.00013523|0.00041323|0.00020706|-0.00016497|-0.00027060|-0.00001239|0.00014592|-0.00004305|0.00012472|-0.00011927|-0.00013058|-0.00025956|-0.00011016|-0.00013945|0.00057857|0.00035667|0.00041927|-0.00142303|-0.00003956|-0.00044259|0.00115952|0.00078900|0.00072092|-0.00073920|-0.00414017|0.00243891|0.20278033|0.10512586|-0.14071041|-0.07604739|-0.01819037|0.01364733|0.01316887|0.00142002|0.00190329|-0.00036931|-0.00018284|0.00036411|0.00039900|0.00016706|-0.00006005|-0.00012010|-0.00000516|-0.00001154|-0.00006347|0.00009262|0.00002523|-0.00002066|-0.00006911|-0.00000508|-0.00004294|0.00001390|0.00008985|0.00021619|-0.00060892|0.00000121|-0.00057210|-0.00081644|0.00058879|0.00069844|-0.00165567|-0.00329550|0.00230535|-0.11444641|0.14864938|0.09543848|-0.07394307|-0.12925738|0.01757851|-0.01707475|-0.01220906|-0.00201331|-0.00009958|0.00108307|0.00026523|-0.00008457|-0.00039240|-0.00007705|0.00012368|0.00018925|-0.00005277|-0.00000146|0.00004977|-0.00014326|0.00000551|0.00011168|0.00023004|0.00005154|0.00013354|-0.00042689|-0.00021776|-0.00044560|0.00118188|0.00014370|0.00053262|0.00016162|-0.00083853|-0.00073827|0.00180364|0.00493389|-0.00187751|-0.10866266|0.08194292|0.13566642|-0.12109278|-0.09700602|-0.06097224|-0.00747839|-0.00973696|-0.01235685|-0.00235562|-0.00351997|0.00252885|0.00089559|-0.00109256|-0.00025079|-0.00047717|0.00006191|0.00024244|0.00004914|-0.00002277|0.00015788|-0.00019668|0.00004185|0.00001949|0.00007810|0.00001843|0.00001481|-0.00013639|-0.00010039|-0.00011300|0.00020176|0.00011448|0.00011065|-0.00012514|0.00001803|-0.00005542|0.00069097|0.00002284|-0.00088071|0.01518317|0.02008012|0.01204516|0.12531087|-0.09726396|-0.21512127|-0.09612419|-0.00701992|-0.01304860|-0.01503307|-0.00492349|-0.00192571|0.00360648|0.00115587|-0.00124690|-0.00041880|-0.00056290|0.00008178|0.00022044|0.00005240|-0.00011607|0.00027368|-0.00010506|0.00012895|-0.00006797|-0.00000724|0.00002639|-0.00002316|0.00002162|-0.00005912|-0.00000467|-0.00004713|0.00014868|0.00007694|-0.00014304|-0.00008729|-0.00000315|0.00089114|0.00046310|-0.00027153|-0.00932205|-0.01471647|-0.00896951|0.11035712|0.23075777|-0.06307340|-0.09852035|-0.12464628|0.01085292|0.01832244|0.01518003|0.00372878|0.00254526|-0.00233764|0.00032007|0.00131905|0.00073382|0.00021138|-0.00005064|-0.00005896|0.00014575|0.00015834|-0.00030746|-0.00006520|-0.00011716|0.00006642|-0.00001432|-0.00003013|0.00000073|0.00004613|0.00007024|0.00002852|-0.00024541|-0.00005634|-0.00008287|-0.00010293|0.00031817|0.00027759|-0.00051250|-0.00085908|0.00093140|-0.00947088|-0.01312715|-0.00896780|0.06798086|0.10958694|0.12906100|-0.18455283|0.07477681|-0.12741870|0.01235478|-0.00883747|0.01392329|0.00130098|0.00134384|0.00029619|0.00014683|0.00003851|0.00015761|0.00006390|0.00002519|0.00006743|-0.00001986|-0.00001115|-0.00005608|0.00005902|0.00002941|-0.00000829|0.00004930|0.00003023|0.00006471|-0.00015655|-0.00006968|-0.00009229|0.00032311|0.00001157|-0.00002256|-0.00009604|-0.00018285|-0.00023639|0.00163962|0.00029102|-0.00008433|-0.01551660|0.00838370|-0.01662923|-0.01024194|0.00637690|-0.00913388|0.19554805|0.07190640|-0.10125226|0.07066048|0.01556577|-0.00899489|0.01580932|0.00107970|0.00156070|-0.00142493|-0.00023904|0.00017951|0.00007861|0.00025456|0.00004910|0.00001296|-0.00008079|-0.00009423|0.00006563|0.00025615|0.00005193|-0.00015911|-0.00012068|0.00002199|-0.00004739|0.00024414|0.00005327|0.00017789|-0.00030454|-0.00008137|0.00006220|-0.00032444|0.00014463|-0.00012267|0.00053055|0.00077138|-0.00151826|0.01264794|-0.00768858|0.01380403|-0.01915147|0.01418880|-0.01915680|-0.07930876|0.10316943|-0.12346591|0.07245031|-0.18351704|-0.01889336|0.00956939|-0.01872228|0.00069123|-0.00201556|0.00235175|-0.00019807|0.00000850|0.00031008|-0.00019394|-0.00012161|-0.00016480|0.00004705|0.00017422|-0.00012519|-0.00006390|-0.00014500|0.00004784|0.00000963|-0.00005879|0.00000434|0.00006789|0.00010507|-0.00003866|-0.00017656|-0.00003839|-0.00000061|0.00090760|0.00009708|0.00021517|-0.00147067|-0.00080021|0.00120644|0.01301567|-0.00729001|0.01546815|-0.00989709|0.00651114|-0.01073015|0.13614650|-0.08173313|0.19702676|0.01281968|-0.00806874|0.01306730|-0.16785059|0.06313692|-0.10776340|-0.01325430|-0.00064199|-0.01409713|-0.00026400|0.00089076|-0.00313546|-0.00081341|-0.00013017|-0.00062204|-0.00057587|-0.00064649|0.00036875|0.00017102|-0.00024878|-0.00009890|-0.00051775|0.00000628|-0.00019638|0.00143670|0.00032979|0.00046103|-0.00287199|-0.00123138|0.00276249|0.00158993|0.00395254|-0.00016588|-0.02153181|0.00905557|-0.01388325|0.00093748|0.00074451|-0.00101749|0.00066213|0.00100354|-0.00102672|-0.00087991|-0.00272401|0.00328797|0.19042564|0.01573830|-0.00820824|0.01694453|0.06546098|-0.10217472|0.06539462|-0.02816900|0.00606110|-0.02452249|0.00152463|0.00018179|-0.00435625|0.00043547|0.00012039|0.00045180|-0.00107888|-0.00058868|0.00101092|-0.00042881|0.00021358|0.00030696|0.00059613|0.00028537|0.00022753|-0.00154039|-0.00058679|-0.00085085|0.00320537|0.00105394|-0.00139275|-0.00234267|-0.00308574|-0.00069538|0.01510062|-0.00304007|0.01172063|-0.00060816|0.00115877|-0.00044197|0.00029099|0.00022071|-0.00091734|-0.00308310|-0.00222375|0.00360975|-0.06463399|0.10779841|-0.01830542|0.01326283|-0.01735831|-0.10246808|0.06335570|-0.16772049|-0.01667533|-0.00399655|-0.01259201|0.00197891|-0.00086862|-0.00258968|-0.00093806|-0.00016488|-0.00011794|-0.00053770|-0.00039656|0.00081216|-0.00045164|0.00015340|0.00036563|0.00048833|0.00016984|0.00017595|-0.00132421|-0.00043121|-0.00064956|0.00231978|0.00102934|-0.00188932|-0.00086141|-0.00214515|0.00059198|0.01538129|-0.00499891|0.01714054|-0.00022749|-0.00138772|0.00054144|0.00045414|0.00046866|0.00102401|0.00324143|0.00356124|-0.00303133|0.11920059|-0.06816079|0.18361892|0.00059638|-0.00005195|-0.00078466|0.01509091|-0.02113706|-0.00388282|-0.20750894|0.18963447|0.03503394|-0.01589013|0.03390170|-0.00162493|0.00227500|0.00086973|-0.00076867|-0.00098959|0.00046319|0.00225432|0.00041998|-0.00016493|-0.00040998|0.00000432|-0.00023618|-0.00014125|0.00057797|-0.00011260|0.00037518|0.00042448|0.00158944|0.00148151|-0.00619272|-0.00248099|0.00208963|-0.00216775|-0.00365139|-0.00160193|-0.00039741|0.00008950|0.00042613|-0.00042729|0.00007428|0.00017812|-0.00004495|0.00011372|-0.00004515|0.00097761|-0.00014184|-0.00028152|0.21312461|-0.00025126|-0.00142200|-0.00153649|0.02265311|-0.01845981|0.00482703|0.19025665|-0.35844144|-0.05139568|-0.00945301|0.00921095|0.00495955|-0.00152532|0.00194839|0.00107188|0.00072398|0.00021844|0.00062397|-0.00001662|0.00011567|0.00003389|0.00011972|-0.00000800|-0.00000122|-0.00015347|-0.00017517|-0.00003364|0.00027845|0.00085457|0.00029909|-0.00282527|-0.00100972|0.00099883|-0.00248719|-0.00346316|-0.00214250|-0.00068628|-0.00010374|0.00055306|-0.00071240|-0.00008218|0.00049479|0.00004583|0.00017094|-0.00017645|-0.00075488|0.00272737|-0.00029652|-0.19608760|0.36793419|-0.00074195|0.00094425|0.00006902|0.01174112|-0.02009076|-0.00627072|0.00087178|-0.00077836|-0.01708356|0.01465335|-0.01834829|-0.00588704|-0.00120245|-0.00045153|0.00187551|-0.00049596|0.00076016|0.00080971|-0.00000355|-0.00001123|-0.00044528|-0.00003189|-0.00018075|-0.00004862|0.00008339|0.00002698|0.00001692|-0.00004938|-0.00105648|-0.00073812|0.00470405|0.00018754|-0.00195711|-0.00179092|-0.00463914|-0.00216904|0.00064410|0.00007185|0.00000300|0.00041401|-0.00020549|-0.00014447|-0.00007251|0.00002512|0.00002869|0.00126288|0.00166423|0.00170605|-0.03022041|0.04345238|0.03163498|0.00010896|-0.00002443|0.00002866|-0.00003132|-0.00018618|-0.00029699|0.00030162|-0.00032308|-0.00078092|-0.00146698|0.00271224|0.00270632|-0.06629958|0.03691437|0.01838352|0.00024653|0.00088582|-0.00005021|0.00013519|-0.00047923|0.00007790|-0.00027635|-0.00005219|-0.00008175|0.00065193|-0.00007426|0.00048087|0.00003041|0.00064622|-0.00067431|-0.00013903|-0.00014024|-0.00044192|0.00013944|0.00003581|0.00049083|-0.00000763|0.00000583|0.00000357|0.00001176|0.00001793|-0.00000120|-0.00002433|-0.00001242|0.00002327|0.00015233|0.00000726|-0.00002399|-0.00000988|-0.00025996|0.00022282|0.06320954|-0.00010171|0.00030488|0.00014572|0.00022863|-0.00070142|-0.00034521|0.00081875|0.00199323|0.00028774|0.00549816|-0.02396417|-0.01553207|0.03738772|-0.27070979|-0.11208913|-0.00129941|0.00054110|-0.00071862|-0.00019039|0.00034967|0.00010875|0.00029925|0.00020039|0.00019642|-0.00087261|-0.00007005|-0.00069258|0.00030064|0.00003240|0.00005884|-0.00065686|-0.00247408|0.00590735|0.00079216|-0.00099498|-0.00040543|-0.00015000|-0.00003488|0.00010769|0.00003742|0.00002112|-0.00003308|0.00000886|-0.00001074|-0.00004009|-0.00004279|0.00018617|0.00002645|-0.00139428|-0.00007202|0.00036561|-0.04194413|0.29485841|0.00008430|-0.00019889|-0.00010068|-0.00026941|0.00041516|-0.00012460|-0.00146479|-0.00151185|0.00166490|-0.00471306|0.02514948|0.01322199|0.01947535|-0.11258104|-0.11850521|0.00002543|-0.00015305|0.00115823|0.00020681|-0.00007316|0.00020053|0.00016330|-0.00002371|0.00004110|-0.00017576|0.00000832|-0.00009325|0.00018234|-0.00038826|0.00056428|0.00009786|0.00293076|-0.00447007|0.00011754|0.00110085|0.00100998|0.00004074|0.00002106|-0.00003033|-0.00004136|-0.00003159|0.00002080|-0.00001833|-0.00000640|0.00003570|0.00013505|-0.00000437|-0.00004088|0.00037923|-0.00044522|-0.00007519|-0.02130396|0.12335994|0.12498163|0.00008154|-0.00002853|0.00001735|0.00015095|0.00065888|-0.00011125|0.00154114|0.00000889|0.00059602|0.00293291|-0.00037960|-0.00347026|-0.25974769|-0.01877596|0.13229594|-0.00021015|-0.00102339|-0.00063249|0.00030639|0.00015109|0.00027945|-0.00014953|-0.00010016|-0.00014177|0.00037257|0.00010587|0.00025671|0.00010869|0.00102279|-0.00110734|-0.00061801|-0.00014102|0.00104799|0.00007886|-0.00010820|-0.00003554|0.00000522|0.00001025|-0.00000347|-0.00002924|-0.00002516|0.00000072|-0.00002252|-0.00002288|0.00003608|0.00021109|0.00003252|-0.00001219|0.00021776|-0.00005993|-0.00066941|-0.00333955|0.00035243|0.00176634|0.27940991|-0.00013310|-0.00038036|-0.00032533|0.00045155|0.00121434|0.00099936|-0.00127062|-0.00573622|0.00678111|-0.02464003|0.00119553|0.01164237|-0.01630202|-0.06021208|0.01204727|-0.00032125|0.00009873|-0.00120619|0.00041347|-0.00019425|0.00001266|-0.00038206|-0.00005559|-0.00018131|0.00102689|-0.00031463|0.00080423|0.00010975|0.00044341|-0.00101130|-0.00147525|0.00077138|-0.00004422|-0.00008889|0.00004589|0.00006364|0.00007749|0.00005200|-0.00003659|-0.00013336|-0.00015577|0.00005165|-0.00001107|0.00004654|0.00000135|-0.00002943|-0.00002299|-0.00029248|0.00004192|-0.00028746|-0.00066204|0.02907942|0.00452598|-0.01826578|0.01908645|0.05984395|0.00027151|0.00039241|0.00043969|-0.00064045|-0.00054190|-0.00156313|0.00135378|0.00512159|-0.00364454|0.02095793|-0.00263411|-0.01035317|0.12957284|0.01284876|-0.14720774|0.00138287|0.00068381|0.00017824|-0.00048089|-0.00034092|0.00026497|0.00001159|-0.00008763|-0.00008325|-0.00019981|0.00035597|-0.00005070|-0.00039544|-0.00069762|0.00061596|0.00071281|-0.00076892|0.00014387|0.00004718|0.00019526|0.00004334|-0.00005227|-0.00005312|0.00002072|0.00013620|0.00017001|-0.00007827|-0.00003854|-0.00006787|0.00003052|0.00030045|0.00003827|0.00028248|-0.00068795|0.00019367|0.00069383|0.01391451|0.00159600|-0.00953260|-0.14517961|-0.01473008|0.15395117|0.00008684|0.00004110|0.00013600|0.00026599|-0.00014992|-0.00037835|0.00154417|0.00006981|0.00091138|-0.00360600|-0.00205956|0.00022008|-0.23137504|-0.03985383|-0.13512762|0.00059368|0.00017508|-0.00010357|-0.00002040|0.00019149|-0.00047607|0.00021793|0.00013701|0.00012984|-0.00033780|-0.00034248|-0.00029271|0.00042720|0.00037699|0.00021741|-0.00078971|-0.00058339|-0.00012420|0.00048205|0.00033452|0.00066656|-0.00001819|-0.00001044|0.00000799|0.00002747|0.00004943|-0.00002152|-0.00004293|-0.00002997|0.00002593|0.00018275|-0.00015026|0.00017556|0.00016923|0.00010475|-0.00010789|0.00692483|0.00030103|0.00498680|-0.02207472|-0.00590598|-0.01974175|0.24692448|-0.00002993|-0.00005513|0.00001696|-0.00045092|-0.00015549|0.00040111|0.00047956|0.00165343|-0.00252768|0.02387249|0.00551557|0.01775677|-0.04298465|-0.06892542|-0.03394156|-0.00142980|-0.00440071|0.00259016|0.00126458|0.00023093|0.00169079|-0.00019652|-0.00005381|-0.00011010|0.00034312|0.00016577|0.00028278|-0.00037671|-0.00009800|-0.00027144|0.00128733|0.00184131|0.00044210|-0.00033756|-0.00005726|-0.00040701|0.00004026|0.00000707|-0.00004230|0.00001363|0.00001510|0.00000090|0.00001700|0.00001859|-0.00001444|-0.00027654|-0.00032390|0.00026794|-0.00039053|0.00016714|-0.00000821|-0.02680084|-0.00462229|-0.01911349|-0.00133952|-0.00097609|-0.00127827|0.04628018|0.07035494|0.00022070|-0.00002253|0.00009392|0.00008553|0.00067622|-0.00060211|0.00031788|-0.00168190|0.00260922|-0.02104190|-0.00640989|-0.01571161|-0.13307616|-0.03196393|-0.16515013|0.00092623|0.00529079|-0.00078330|-0.00128639|-0.00006737|-0.00168672|0.00024798|0.00011488|0.00008681|-0.00057746|-0.00024542|-0.00056253|0.00082435|-0.00004120|0.00017857|-0.00025788|-0.00170673|0.00048132|0.00047417|0.00028329|0.00096724|-0.00000710|0.00000458|-0.00000914|-0.00002675|-0.00001301|-0.00000800|-0.00006559|-0.00007740|0.00007963|0.00061683|0.00026128|0.00007746|0.00029666|-0.00025103|-0.00101415|-0.01278383|-0.00267162|-0.01033460|0.01594584|0.00442762|0.01588927|0.14943557|0.03382097|0.17531294|-0.00006803|-0.00011571|-0.00026914|-0.00096906|0.00129893|0.00019857|-0.00451224|-0.00388515|-0.00382261|-0.01395722|-0.01388082|0.01443699|-0.00021309|-0.00086343|0.00090940|-0.18226618|-0.11024282|0.07311659|0.01203455|0.01958172|-0.00962643|0.00449725|-0.00042753|-0.00393111|0.00042614|-0.00112410|0.00103906|0.00027836|0.00032411|-0.00061407|-0.00154907|0.00060240|-0.00010456|-0.00004028|-0.00026528|-0.00004630|0.00000704|0.00002898|0.00001487|-0.00008015|-0.00012727|0.00007427|0.00002803|0.00002261|0.00003380|-0.00042608|-0.00046592|-0.00039520|-0.00032105|-0.00001360|0.00014137|-0.00040101|0.00058711|0.00001912|0.00052651|0.00025077|-0.00101017|0.00060218|0.00028453|0.00006651|0.19422335|0.00000308|-0.00002222|-0.00003503|-0.00025147|0.00019522|0.00010665|-0.00069307|0.00000128|-0.00070954|-0.00588286|-0.00459011|0.00612603|0.00145304|0.00084469|0.00181221|-0.11089598|-0.16248242|0.06028744|-0.00800316|-0.03578560|0.02202289|-0.00408242|0.00485789|0.00280529|0.00106654|0.00030003|-0.00105899|-0.00083003|-0.00015830|-0.00073653|-0.00018530|0.00013283|0.00010711|-0.00005898|0.00002269|-0.00009754|-0.00003005|0.00001502|0.00000720|-0.00001414|-0.00001859|0.00001275|0.00002502|0.00001509|-0.00001910|-0.00013121|-0.00008759|-0.00003011|-0.00036798|-0.00007564|-0.00015449|0.00000018|0.00037737|-0.00016264|0.00057673|0.00032057|-0.00049924|0.00047860|0.00004699|0.00002117|0.11728817|0.18342486|-0.00009742|-0.00010379|-0.00021525|-0.00096657|0.00035299|0.00046741|-0.00285363|-0.00173626|-0.00136848|-0.01524994|-0.01296841|0.01072383|-0.00129831|-0.00048598|0.00020634|0.07434657|0.06575254|-0.11150043|0.00468990|0.01717886|-0.00622209|0.00002777|-0.00384161|0.00127694|-0.00147212|-0.00011403|-0.00056535|0.00116953|-0.00070196|0.00015257|-0.00093030|0.00067744|-0.00001056|0.00021806|-0.00018265|0.00012986|0.00001226|0.00001034|-0.00000856|-0.00002853|-0.00006712|0.00008328|0.00001009|-0.00003318|0.00003600|-0.00014609|-0.00015851|-0.00016159|-0.00048668|-0.00008524|-0.00025762|0.00022744|0.00009761|0.00007354|-0.00078938|-0.00002464|-0.00058338|0.00002419|-0.00024781|0.00026880|-0.07603177|-0.08361673|0.11825969|-0.00001746|0.00003700|0.00005045|0.00019226|-0.00026029|-0.00023436|0.00175523|-0.00024456|-0.00036458|0.01013568|-0.01502556|-0.02359745|-0.00019012|-0.00034588|0.00083807|-0.10660920|0.05409128|0.09450595|-0.01079575|0.00910657|0.01573695|-0.00011880|0.00577384|-0.00005075|-0.00267142|0.00016781|-0.00273412|0.00167787|-0.00022537|0.00080431|-0.00521491|0.00073357|-0.00274605|0.00070204|-0.00147228|-0.00068627|-0.00003940|-0.00001766|0.00002414|0.00003351|0.00003475|-0.00001214|-0.00000542|-0.00001562|-0.00001116|0.00013167|0.00020144|0.00017008|-0.00027499|0.00040893|-0.00054730|0.00006164|0.00024903|0.00005479|0.00007852|-0.00005214|-0.00007645|-0.00007901|0.00026291|0.00001706|-0.00835988|0.01074864|0.01874176|0.12013250|-0.00004978|0.00013277|0.00005354|0.00002714|-0.00068224|-0.00021923|0.00094975|0.00195174|0.00138693|0.00259583|-0.00472901|-0.00988045|-0.00107363|-0.00023008|-0.00005499|0.05093265|-0.11552101|-0.09152095|0.01741376|-0.01531943|-0.02863981|0.00094236|-0.00600994|0.00189036|0.00249459|0.00009256|0.00218417|-0.00152872|0.00039564|-0.00040384|-0.00149954|0.00007167|-0.00120509|0.00003015|-0.00030546|-0.00016225|-0.00006834|-0.00001385|0.00003132|0.00005363|0.00004610|0.00000752|0.00001481|-0.00005652|-0.00001817|0.00004857|0.00021509|0.00021868|-0.00048130|-0.00005196|-0.00036544|0.00009042|0.00010945|-0.00002657|0.00030164|0.00006928|0.00002381|0.00015016|0.00008791|-0.00026880|-0.00871788|0.01407589|0.01947067|-0.06320488|0.12311645|-0.00004873|0.00007733|-0.00000635|0.00016107|-0.00084620|0.00025257|0.00239630|0.00282842|0.00287036|0.01133299|-0.01210167|-0.01950216|-0.00085921|-0.00103477|-0.00018242|0.09842903|-0.10434223|-0.24930513|-0.00900512|0.00868138|0.01250398|-0.00088532|0.00251971|0.00081261|-0.00149369|0.00048515|-0.00034587|0.00063319|0.00014188|0.00052644|-0.00380792|0.00154031|-0.00171704|0.00053316|-0.00106380|-0.00072190|-0.00007553|-0.00000635|0.00004422|0.00002891|0.00001272|-0.00000263|0.00001423|-0.00003272|-0.00002508|0.00004999|0.00035206|0.00028183|-0.00091543|-0.00018724|-0.00051160|-0.00011825|0.00075000|-0.00012266|-0.00012881|-0.00012164|0.00044565|-0.00044682|0.00056497|-0.00006534|0.00544284|-0.00595667|-0.01049683|-0.10141717|0.10856970|0.26232429|-0.00009417|0.00007145|-0.00013974|0.00001981|0.00009978|-0.00005104|-0.00009351|-0.00043629|0.00067290|-0.00050575|0.00574877|-0.00233121|-0.00151675|-0.00075517|-0.00074118|-0.00927842|-0.01084405|-0.01602374|-0.13623966|-0.01239457|-0.20410589|0.00834572|0.01051817|0.05364260|-0.00694910|0.00313786|0.00560041|0.00037543|-0.00017349|0.00036187|0.00018289|0.00095858|0.00104841|0.00011390|-0.00012258|-0.00024400|-0.00003988|-0.00000515|0.00003302|0.00001049|-0.00003519|0.00006051|0.00002012|-0.00007814|0.00002003|-0.00003533|0.00000958|0.00005702|-0.00009031|0.00002261|-0.00017308|0.00001378|0.00007201|0.00004656|0.00008646|0.00001803|0.00000529|-0.00007978|0.00046523|-0.00045286|0.00036744|-0.00016660|0.00067811|-0.00046190|0.00078351|0.00035531|0.14554606|-0.00008562|0.00014519|-0.00005705|0.00011443|-0.00023394|-0.00026343|0.00018912|0.00010739|0.00002619|0.00045585|-0.00506483|0.00093948|0.00102197|0.00059421|0.00097739|0.01858068|0.00212146|0.03766054|-0.02392376|-0.05993119|-0.10665776|-0.00099633|-0.00781687|-0.01260036|0.00260353|0.00044640|-0.00209527|-0.00080471|0.00086812|0.00046968|0.00086922|-0.00045563|0.00013294|-0.00031121|0.00011140|-0.00032124|-0.00004152|-0.00002007|0.00004967|0.00002524|-0.00000846|0.00001843|0.00002125|-0.00004560|0.00000609|-0.00011093|0.00010520|0.00012572|0.00001386|0.00004048|0.00004968|-0.00000969|0.00007485|-0.00010438|-0.00003227|0.00000824|0.00000241|0.00011031|-0.00027826|0.00035873|0.00015397|-0.00101981|0.00061567|-0.00012618|0.00229521|-0.00032263|0.00216644|0.06745174|0.00002800|-0.00004468|0.00002474|-0.00007081|0.00005468|0.00008573|-0.00006036|0.00005453|-0.00015321|-0.00004760|0.00192570|0.00097120|-0.00022254|-0.00019542|-0.00011628|-0.00574172|-0.00525389|-0.00851001|-0.15486309|-0.06657483|-0.39840228|-0.00680632|-0.00891652|-0.02784299|0.00523706|-0.00175607|-0.00226795|0.00086008|-0.00029437|0.00089633|-0.00036893|0.00033577|-0.00010529|0.00019215|0.00004861|0.00017027|0.00003322|-0.00000087|-0.00002059|-0.00000112|0.00001110|-0.00001043|-0.00001755|0.00001938|0.00000567|0.00006069|-0.00002643|-0.00003353|-0.00001708|-0.00001944|0.00003685|-0.00000910|-0.00002886|0.00002508|0.00001235|0.00000342|-0.00002778|0.00004218|0.00004059|-0.00004114|0.00033031|-0.00020385|-0.00031299|0.00075615|-0.00071370|0.00221598|0.16082573|0.08170505|0.43428173|-0.00015103|0.00027468|0.00007675|0.00004550|-0.00072607|0.00021581|-0.00003583|0.00015166|0.00014993|-0.00006834|-0.00045117|-0.00007662|-0.00001615|-0.00000646|0.00008347|-0.00055939|0.00033380|-0.00011426|0.00308194|0.00109663|-0.00353605|0.01238105|-0.00450343|-0.00257429|-0.26230754|0.07716893|0.12638067|-0.03053993|0.01267054|0.01574058|-0.00065124|-0.00181483|-0.00603681|-0.00112433|0.00093165|0.00076412|-0.00009232|-0.00005018|0.00008884|0.00000170|-0.00001604|-0.00002014|0.00002149|-0.00000997|-0.00000586|-0.00008798|0.00008447|0.00002425|-0.00003268|0.00001834|0.00001372|-0.00001267|0.00006321|-0.00001681|0.00001294|-0.00000254|-0.00001780|0.00001976|-0.00001750|0.00001697|0.00003131|-0.00003211|0.00010450|0.00002557|0.00001275|0.00005896|0.00019488|0.00008684|-0.00018339|0.28019802|-0.00000993|0.00001143|-0.00000379|0.00007545|0.00003468|0.00015155|-0.00001903|-0.00002212|0.00010328|-0.00028252|0.00010737|0.00019699|0.00006983|-0.00001638|-0.00002996|-0.00189487|0.00176258|0.00157488|0.00132184|0.01322540|-0.00621067|0.00644889|-0.01187796|-0.01046971|0.07669067|-0.08215917|-0.05042527|0.00143507|0.00531496|-0.00084920|-0.00006615|0.00366491|-0.00057248|0.00045213|-0.00035258|-0.00023284|-0.00000370|-0.00000446|-0.00000604|0.00000390|0.00000291|0.00000400|-0.00000327|-0.00000568|-0.00000050|0.00004513|-0.00000807|-0.00000513|0.00001938|-0.00000793|0.00002101|0.00000361|-0.00002493|0.00000978|0.00000295|0.00000492|-0.00000558|0.00000657|-0.00001022|0.00001658|-0.00010040|-0.00016896|0.00027743|-0.00042704|0.00046866|-0.00021033|0.00094141|0.00047148|-0.00018686|-0.08478543|0.06939120|-0.00008507|0.00011015|0.00004131|-0.00012121|-0.00041281|0.00002411|0.00012456|0.00021166|0.00017968|-0.00040762|-0.00052847|-0.00028557|0.00013647|0.00009682|0.00011203|0.00057466|0.00040451|-0.00185953|-0.00336535|-0.00581742|0.00012504|0.02886005|-0.01098447|-0.03286127|0.12929372|-0.05293310|-0.14381057|-0.02304911|0.00635741|0.01180628|-0.00168518|-0.00168618|-0.00206739|-0.00077328|0.00061799|0.00066973|-0.00003052|-0.00002651|0.00003549|0.00002015|0.00001333|0.00000098|0.00000053|-0.00001977|0.00000038|-0.00000192|0.00004408|0.00002798|-0.00004694|0.00001067|-0.00000236|-0.00002892|0.00006509|-0.00002351|-0.00000252|-0.00001491|-0.00000075|0.00003544|-0.00004459|0.00007990|0.00003642|-0.00020817|0.00018037|0.00041645|-0.00061277|0.00035405|0.00102621|-0.00082287|-0.00085608|-0.13134914|0.06545117|0.16748397|0.00011527|-0.00003970|-0.00008725|-0.00019760|0.00066563|-0.00040528|-0.00079132|0.00171942|0.00074125|-0.00494571|-0.00275167|0.00170108|0.00015342|-0.00017395|0.00015303|-0.00060750|0.00012937|-0.00071906|0.00036124|-0.00082287|0.00131846|-0.00781457|0.00383180|-0.00323257|0.00820028|-0.02993643|-0.02984055|-0.08549086|0.00310496|-0.00541916|0.00540320|0.03123476|0.02906925|0.00108361|0.00032333|-0.00147643|0.00000930|0.00003293|-0.00003311|-0.00003950|-0.00004489|0.00001129|0.00001413|-0.00000327|-0.00000615|-0.00022381|0.00008322|0.00013733|-0.00058897|-0.00015581|0.00030150|-0.00004525|0.00007697|-0.00008821|0.00005822|0.00006644|-0.00008575|-0.00005637|0.00003504|-0.00000962|0.00013872|-0.00003041|0.00012799|0.00014389|-0.00012532|0.00004751|0.00016568|0.00002702|0.00001830|-0.00029258|0.00012306|0.00041371|0.08561323|-0.00008521|0.00036408|0.00013723|0.00001219|-0.00092372|-0.00016075|0.00031431|-0.00090947|-0.00003296|0.00156346|0.00240337|-0.00127959|0.00021022|0.00030018|-0.00038248|-0.00068001|0.00036581|-0.00013870|0.00114657|-0.00099816|-0.00012375|-0.00028343|0.00259836|-0.00019128|0.00738816|0.00044220|0.01104696|-0.00407753|-0.23827150|-0.26465899|0.00209302|-0.00669420|-0.00091669|-0.00110019|0.00113504|0.00118856|-0.00013218|-0.00005213|0.00008452|0.00001726|0.00001986|-0.00003680|0.00003014|-0.00002478|0.00000336|-0.00010878|0.00018613|0.00018489|0.00025424|0.00026318|-0.00020073|-0.00012234|-0.00006661|0.00021804|-0.00023258|-0.00017945|0.00000411|0.00021430|-0.00011973|0.00008947|-0.00002446|-0.00015835|0.00003123|0.00002943|-0.00012762|-0.00006083|0.00005018|0.00007088|0.00000680|-0.00048529|0.00017993|0.00069572|-0.00604797|0.24019101|-0.00001547|-0.00006868|0.00000630|0.00017805|-0.00016034|0.00003813|-0.00006248|-0.00002838|-0.00012222|0.00088686|0.00118412|0.00177290|-0.00003914|-0.00023426|0.00002687|0.00078501|-0.00014263|0.00041845|-0.00214433|-0.00014602|0.00149371|-0.00166898|0.00086659|0.00137586|-0.00346862|-0.01346625|-0.02116854|0.00101020|-0.23649488|-0.27518679|-0.00199534|-0.00971100|-0.00800559|-0.00110141|0.00146153|0.00089978|0.00001988|0.00001042|-0.00000866|-0.00001882|-0.00002640|0.00000360|-0.00000611|0.00002127|-0.00003370|-0.00006317|0.00000253|-0.00008625|0.00002485|-0.00000641|0.00006983|0.00003975|-0.00000452|-0.00005642|0.00011021|-0.00001331|0.00010001|-0.00018072|0.00007387|-0.00005298|0.00001841|0.00013026|-0.00010068|-0.00008805|0.00009995|0.00006966|-0.00014097|0.00004776|-0.00001841|0.00035367|0.00143661|0.00071411|0.00702924|0.25480410|0.29809229|0.00140251|0.00006105|-0.00062960|0.01181687|0.01957405|0.00744553|-0.00387020|0.00410028|0.00324944|-0.00546305|-0.00268570|0.00298869|0.00040440|-0.00087014|-0.00098752|0.00092229|-0.00050453|0.00001463|-0.00017179|0.00018933|-0.00005389|0.00025646|0.00005083|0.00015185|-0.00067178|0.00005247|-0.00035333|0.00240622|0.00216541|-0.00147628|0.00602907|-0.02911025|-0.01386114|-0.07227489|-0.02886385|-0.00350416|-0.00007040|-0.00013691|-0.00024388|-0.00047639|-0.00039163|0.00008946|0.00003453|-0.00019551|0.00011516|-0.00036520|-0.00012794|-0.00112646|0.00105840|0.00081021|0.00105261|0.00006564|-0.00042119|0.00031013|0.00001174|0.00012554|-0.00006007|0.00001138|-0.00001483|0.00009325|0.00000247|0.00001579|-0.00002745|-0.00023211|-0.00009234|-0.00028147|-0.00005809|0.00000249|0.00001338|-0.00004217|-0.00004753|0.00000840|-0.00036616|0.00005650|0.00053749|0.05964024|-0.00011793|-0.00012597|-0.00003959|-0.00640214|-0.00549814|-0.00144393|0.00096851|-0.00074938|-0.00055578|-0.00332053|0.00221718|-0.00470319|-0.00019397|0.00088635|0.00047541|0.00085126|-0.00143221|-0.00049568|-0.00013600|0.00008126|0.00001655|0.00031500|0.00007388|0.00007279|-0.00017807|-0.00003628|-0.00009589|0.00158021|-0.00030597|0.00282785|0.00283486|-0.00990436|-0.00893396|-0.03135135|-0.31675245|-0.12916994|0.00023165|0.00021471|-0.00008261|0.00033319|0.00046516|-0.00000561|0.00003725|0.00003650|-0.00006480|0.00056650|-0.00016350|0.00034995|-0.00036679|0.00000890|-0.00041584|0.00002989|0.00017094|-0.00012297|-0.00004129|-0.00012587|0.00007918|0.00006451|-0.00002847|0.00005526|-0.00016891|-0.00006281|-0.00009688|-0.00042774|-0.00008129|-0.00023654|-0.00005237|-0.00003760|0.00001016|0.00000752|0.00001804|0.00003346|-0.00132165|0.00000566|0.00036408|0.03625840|0.33112573|-0.00100402|-0.00008443|0.00084680|-0.00617422|-0.00868554|-0.00197762|0.00207985|-0.00239687|0.00001793|0.00391065|-0.00432764|0.00807477|0.00018545|-0.00217133|-0.00133092|-0.00051099|0.00125300|0.00115682|-0.00020906|0.00025544|-0.00011571|-0.00005386|0.00004389|0.00003031|-0.00102537|-0.00003665|0.00011741|-0.00222910|0.00357202|-0.00408281|0.00516829|0.00028262|0.00534930|-0.00749260|-0.12868602|-0.10297185|-0.00015306|0.00027868|0.00008591|0.00048913|0.00030821|-0.00003721|-0.00002161|0.00010148|-0.00045830|0.00064382|-0.00050202|-0.00037555|-0.00062414|-0.00094173|-0.00033952|-0.00000411|-0.00051199|0.00051224|-0.00008094|0.00009513|0.00002559|-0.00001371|0.00005700|-0.00010333|-0.00002716|0.00004962|-0.00005482|0.00044967|0.00015540|0.00030333|-0.00003026|0.00005955|0.00000536|-0.00014109|-0.00003490|-0.00006836|0.00033319|-0.00031144|-0.00024124|0.00653524|0.14217852|0.09563146| 166.12185 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| 65.0568 99.5688 183.7647 245.8777 262.4507 274.9094 290.3901 307.7743 325.4084 359.8216 443.9686 480.1309 510.2086 532.7898 564.5708 644.1532 662.0078 688.3076 731.5264 757.6109 858.6852 905.0099 950.2360 959.4107 981.1148 1007.6028 1023.2433 1046.2503 1068.8211 1075.1067 1117.2693 1150.8098 1160.4846 1200.3500 1225.9137 1244.3292 1247.3831 1314.8791 1347.2588 1367.0167 1437.2443 1458.7216 1499.7360 1519.5946 1543.7245 1556.5903 1559.6368 1563.2207 1596.0493 1625.0700 1633.2842 1638.4505 1639.9562 1643.5722 1653.4089 1669.1931 1905.9885 1951.0022 3111.8813 3175.6393 3194.4229 3198.0198 3253.1551 3257.3635 3270.1298 3281.8640 3288.7127 3373.2861 3380.5260 3772.2791 3816.8870 3841.3596 4.3058 2.8649 3.2232 1.8337 2.8146 1.5441 1.1300 2.5085 3.7349 2.1810 2.7926 3.1748 1.6868 2.3289 2.2127 4.0555 3.6380 2.8818 3.1164 3.6948 1.8790 1.9458 2.5092 2.2058 2.6022 1.7455 2.0841 1.5136 1.5788 1.7871 2.2389 1.7605 1.8955 3.8109 2.1697 1.6556 3.2360 2.7952 2.0577 1.7279 1.4028 1.9970 1.9190 1.3058 1.4874 1.2775 1.3382 1.3619 1.4472 1.1016 1.1262 1.0588 1.0576 1.1352 1.2943 1.2201 7.4590 6.8251 1.0830 1.0693 1.0424 1.0384 1.1020 1.0967 1.0957 1.1039 1.1025 1.0927 1.0969 1.0759 1.0769 1.0772 0.0107 0.0167 0.0641 0.0653 0.1142 0.0688 0.0561 0.1400 0.2330 0.1664 0.3243 0.4312 0.2587 0.3895 0.4155 0.9915 0.9394 0.8044 0.9826 1.2495 0.8163 0.9390 1.3349 1.1963 1.4758 1.0441 1.2856 0.9762 1.0626 1.2170 1.6467 1.3737 1.5040 3.2351 1.9212 1.5104 2.9666 2.8473 2.2005 1.9025 1.7072 2.5036 2.5430 1.7766 2.0884 1.8237 1.9179 1.9609 2.1720 1.7140 1.7701 1.6747 1.6759 1.8068 2.0847 2.0029 15.9651 15.3065 6.1793 6.3533 6.2672 6.2569 6.8713 6.8558 6.9033 7.0052 7.0257 7.3261 7.3853 9.0202 9.2440 9.3649 0.0538 0.8383 0.2251 1.2822 1.0080 0.9349 0.1790 2.0899 7.1725 2.8148 5.4423 5.0492 51.2378 32.5734 70.3393 8.8444 43.6448 37.5142 7.4236 6.1377 38.5129 15.8480 92.4607 1.9773 11.7454 3.3068 4.0457 4.0225 7.5780 18.8128 9.2588 4.4351 16.5802 21.9396 15.2773 19.0832 43.7065 80.4398 2.0580 38.3251 25.1089 33.2498 13.3367 16.1065 6.6723 7.8113 7.7346 9.3022 104.1781 5.2337 16.1107 0.3983 5.5169 16.1582 11.9194 3.3680 148.4775 139.7883 95.4825 49.1061 57.4917 45.3796 41.7693 30.9755 29.5582 37.7539 37.6724 36.5927 12.2723 0.8482 6.6698 29.5117 1.9291 0.6285 3.0968 1.5386 0.8891 0.7791 0.5528 1.2122 2.3064 2.1980 1.0533 4.3694 1.6238 0.8057 4.0838 2.6528 2.8033 7.4308 1.4998 9.6059 3.6498 6.7859 4.8988 6.8029 6.0926 5.1874 2.6313 1.3792 5.0903 4.0053 3.5671 2.4337 3.5759 6.3647 5.6265 4.2310 7.0310 2.7281 5.3261 10.6030 4.6511 5.4497 5.9240 7.7729 3.9521 2.0329 1.9600 2.1777 8.4207 10.7030 14.2260 16.5478 16.3258 6.9331 6.4596 1.8640 83.4699 34.2232 120.7183 50.2536 94.2302 152.9789 89.0365 57.9884 76.2124 49.9096 45.3361 141.7743 88.3677 70.6901 129.6470 89.5078 0.6856 0.7478 0.7039 0.6647 0.6990 0.6892 0.7335 0.7428 0.7233 0.6755 0.1423 0.2337 0.2032 0.6964 0.4375 0.3873 0.5417 0.2141 0.6911 0.0280 0.6226 0.4703 0.1663 0.7499 0.3935 0.6341 0.5980 0.6737 0.7492 0.7408 0.7499 0.7155 0.7104 0.4100 0.2505 0.7238 0.7258 0.7174 0.5160 0.5034 0.7369 0.7278 0.6454 0.5112 0.6512 0.7449 0.6094 0.2632 0.6379 0.6602 0.7261 0.7388 0.7116 0.6758 0.7229 0.6745 0.2769 0.2060 0.3663 0.2586 0.0573 0.0278 0.7269 0.6537 0.4534 0.7473 0.7487 0.3116 0.3322 0.2978 0.2980 0.2291 0.8135 0.8557 0.8262 0.7986 0.8229 0.8160 0.8463 0.8524 0.8394 0.8063 0.2492 0.3789 0.3378 0.8211 0.6087 0.5584 0.7027 0.3527 0.8173 0.0544 0.7674 0.6397 0.2851 0.8571 0.5648 0.7761 0.7484 0.8051 0.8566 0.8511 0.8571 0.8341 0.8307 0.5815 0.4007 0.8398 0.8411 0.8354 0.6807 0.6697 0.8486 0.8424 0.7845 0.6766 0.7887 0.8538 0.7573 0.4167 0.7789 0.7954 0.8413 0.8498 0.8315 0.8065 0.8392 0.8056 0.4337 0.3416 0.5362 0.4109 0.1084 0.0540 0.8419 0.7906 0.6240 0.8554 0.8563 0.4752 0.4987 0.4590 0.4591 0.3727 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 7 6 6 6 7 7 6 7 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 14.00307 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 1151.42124 2360.52153 2496.72852 0.99967 0.01868 -0.01788 -0.01962 0.99833 -0.05428 0.01684 0.05461 0.99837 1 0.07522 0.03669 0.03469 1.56740 0.76455 0.72284 93.60 143.26 264.40 353.76 377.61 395.53 417.81 442.82 468.19 517.70 638.77 690.80 734.08 766.57 812.29 926.79 952.48 990.32 1052.50 1090.03 1235.46 1302.11 1367.18 1380.38 1411.61 1449.72 1472.22 1505.32 1537.80 1546.84 1607.50 1655.76 1669.68 1727.04 1763.82 1790.31 1794.71 1891.82 1938.40 1966.83 2067.87 2098.78 2157.79 2186.36 2221.08 2239.59 2243.97 2249.13 2296.36 2338.11 2349.93 2357.36 2359.53 2364.73 2378.89 2401.60 2742.29 2807.06 4477.30 4569.04 4596.06 4601.24 4680.56 4686.62 4704.99 4721.87 4731.72 4853.41 4863.82 5427.47 5491.65 5526.86 0.243744 0.253993 0.254937 0.208298 -528.566679 -528.556430 -528.555486 -528.602125 1.564280D-04 MUNgauss RevisionA2.1 retrievium 03-Jan-2023 GDB_13 Smiles: CC1NC2(C)CNN=CNC2=C1 RHF 6-31G(d) (6D,10F) C1 166.121847 |X|Y|Z| 20.980114 18.910522 33.226948 23.622939 10 6 7 6 4 |36.858105| |12.489824|36.858105| |7.715333|12.989512|53.358707| |5.200666|7.942990|17.724574|36.858105| |4.044056|5.838732|10.391705|12.380116|36.858105| |4.110206|5.181979|10.437828|12.362984|7.571857|36.858105| |3.988406|4.639260|8.030769|7.671838|5.100397|13.111486|53.358707| |3.331402|3.867208|6.071972|5.915839|4.533280|7.934936|18.502354|53.358707| |3.378975|4.064316|6.004612|6.047259|4.840775|6.563317|11.351496|20.693530|36.858105| |3.961538|5.156088|7.173558|7.566204|5.986725|6.366419|9.149366|10.807336|13.735017|53.358707| |5.414651|8.210676|11.334783|12.589727|7.589731|7.525873|9.562302|8.692215|7.765213|18.523136|36.858105| |7.503133|12.645413|11.240535|8.134437|5.815044|5.352252|7.061921|6.335189|5.334528|10.588114|14.472790|36.858105| |17.540220|8.814152|9.451772|4.598547|3.765944|3.779067|4.846587|4.027747|2.943521|4.563811|4.400425|5.487633|0.500000| |17.523541|8.789854|7.595041|4.258260|3.512589|3.431983|4.626042|4.052107|3.089442|4.955691|4.709105|6.699240|0.301290|0.500000| |17.580993|8.853507|9.586189|5.076325|3.774875|4.320209|6.088395|4.960133|3.592331|5.511411|5.373808|6.893362|0.300866|0.299388|0.500000| |8.917514|17.418875|12.186890|6.432475|5.717838|4.334048|5.156282|4.484440|3.513612|6.055799|6.412303|8.873125|0.213326|0.214335|0.174124|0.500000| |6.477535|9.232680|25.917784|9.256507|7.458027|6.437316|6.554178|5.136893|3.704333|5.839743|6.048637|6.031925|0.184834|0.136317|0.158107|0.229674|0.500000| |3.670042|4.931601|9.165765|8.770830|17.508814|7.000016|6.278102|5.445391|4.037293|6.240696|5.512547|4.562330|0.099189|0.088134|0.095742|0.136236|0.208430|0.500000| |3.418025|4.642385|7.561600|8.733894|17.564750|6.807363|6.700844|6.512739|5.338544|8.825171|6.872069|5.061275|0.087766|0.085018|0.090734|0.125854|0.146574|0.301515|0.500000| |4.209148|6.285101|9.604413|8.761735|17.561045|5.493968|5.659608|5.156592|4.154262|7.270606|6.886731|6.050887|0.108971|0.104051|0.104335|0.191687|0.198716|0.300583|0.300973|0.500000| |3.384085|4.203410|7.713103|8.764285|7.559593|17.486263|12.363772|10.279962|6.434526|8.068487|6.126926|4.436232|0.087757|0.081257|0.096777|0.103432|0.143424|0.203341|0.217486|0.147453|0.500000| |4.085911|4.875620|10.298747|8.897352|6.312176|17.588937|12.563470|7.948757|4.844222|6.443356|5.668776|4.573189|0.109147|0.093148|0.119793|0.114775|0.193839|0.184141|0.150534|0.134951|0.301289|0.500000| |3.551704|3.913684|6.679473|5.759102|4.228251|9.427632|26.004400|13.518489|6.227863|6.828541|5.159830|4.159483|0.090770|0.084752|0.111798|0.090966|0.117525|0.112022|0.113727|0.097820|0.209592|0.239570|0.500000| |2.892204|3.380232|4.838180|4.586640|4.008937|4.882774|7.966806|13.074282|17.706290|12.594565|5.671247|4.330533|0.070871|0.075313|0.084648|0.083813|0.085701|0.095292|0.125878|0.098864|0.139883|0.107283|0.135703|0.500000| |3.699875|4.650279|6.002094|5.665584|4.906639|4.783346|6.919511|8.173846|9.503231|26.019487|9.364530|7.136074|0.086722|0.098407|0.103754|0.115644|0.102680|0.107522|0.147754|0.130556|0.126442|0.105805|0.112845|0.235453|0.500000| |6.574323|8.354826|7.775729|5.626774|4.501511|4.210462|5.861013|5.581810|4.796790|9.132748|8.913876|17.720185|0.134649|0.188396|0.170960|0.193345|0.127102|0.102076|0.115022|0.132557|0.101214|0.102252|0.099447|0.114408|0.196975|0.500000| 528.261177 -2752.966503 1010.228077 -73.152754 -1287.630002 758.819577 -528.810425 2.001040 4043FFFFFFFFFFFC 41A15C69D3FFFFFE 4138B0F188888886 40D583BFFFFFFFFF C022000000000000 419408F2CC000002