Version2.5
2022-11-03T03:49:28Z
10.1021/ja902302h
Gaussian16
RevisionB.01
DOC1ROB
24-Oct-2022
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
GDB_13 Smiles: CC1C(CN1N1N=CC=N1)C=C
RHF
6-31G(d)
(6D,7F)
CC1C(CN1N1N=CC=N1)C=C
C1[X(C8H12N4)]
66
C1
204
CC1C(CN1N1N=CC=N1)C=C
C=CC1CN(C1C)n1nccn1
CC1C(CN1n2nccn2)C=C
InChIKey=QUOXURHYHOSGAA-UHFFFAOYSA-N
InChI=1S/C8H12N4/c1-3-8-6-11(7(8)2)12-9-4-5-10-12/h3-5,7-8H,1,6H2,2H3
InChI=1/C8H12N4/c1-3-8-6-11(7(8)2)12-9-4-5-10-12/h3-5,7-8H,1,6H2,2H3
CC1C(CN1N1N=CC=N1)C=C
C01[X(C8H12N4)]
66
C1
204
CC1C(CN1N1N=CC=N1)C=C
CC[C@@H]1C[N@@]([C@H]1C)N1NCCN1
CC[C@@H]1CN([C@H]1C)N2NCCN2
InChIKey=PYXQDNZOZBCGKD-JGVFFNPUSA-N
InChI=1S/C8H18N4/c1-3-8-6-11(7(8)2)12-9-4-5-10-12/h7-10H,3-6H2,1-2H3/t7-,8+/m0/s1
InChI=1/C8H18N4/c1-3-8-6-11(7(8)2)12-9-4-5-10-12/h7-10H,3-6H2,1-2H3/t7-,8+/m0/s1
5.270523820740D+02
-2.634519091118D+03
701.5460675926
-527.5969632
1-A
2376.5486
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|
-15.70361 -15.60660 -15.60546 -15.59911 -11.26543 -11.25933 -11.25786 -11.25302 -11.24052 -11.23627 -11.22581 -11.21420 -1.48532 -1.29199 -1.20209 -1.12667 -1.05690 -1.00955 -0.96192 -0.87894 -0.85871 -0.83882 -0.77227 -0.76201 -0.72797 -0.68517 -0.65721 -0.64865 -0.62834 -0.61332 -0.59736 -0.58346 -0.57058 -0.52555 -0.52390 -0.49729 -0.49102 -0.48779 -0.47494 -0.46429 -0.39955 -0.39791 -0.36807 -0.35490
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
0.15640 0.17813 0.23349 0.24803 0.25263 0.26278 0.27290 0.28219 0.29113 0.30399 0.31666 0.32137 0.33165 0.33837 0.35126 0.35437 0.37900 0.40236 0.41802 0.43459 0.43529 0.46259 0.48937 0.51033 0.53343 0.56367 0.63133 0.65085 0.67933 0.71103 0.72220 0.73846 0.74733 0.76987 0.77581 0.78738 0.79994 0.82383 0.83450 0.84247 0.85285 0.87313 0.88638 0.90645 0.91809 0.93324 0.94095 0.94277 0.96417 0.98721 1.02555 1.03307 1.04710 1.06405 1.07371 1.09303 1.10276 1.11363 1.11627 1.12465 1.14599 1.15177 1.16009 1.17315 1.18885 1.19858 1.20343 1.20984 1.21745 1.22435 1.24033 1.25013 1.26374 1.32476 1.33968 1.36829 1.39718 1.44282 1.49043 1.51592 1.54209 1.55898 1.58387 1.62018 1.65654 1.68720 1.70893 1.72409 1.75191 1.78564 1.80717 1.85184 1.87491 1.88285 1.95459 1.99318 2.02202 2.08415 2.10149 2.11933 2.14192 2.16597 2.18001 2.21051 2.22343 2.26240 2.28753 2.31951 2.34235 2.35103 2.38500 2.42957 2.43712 2.48785 2.49855 2.50560 2.52843 2.54979 2.56252 2.57187 2.59012 2.62949 2.64638 2.67462 2.69336 2.70206 2.74320 2.76241 2.78634 2.83437 2.84944 2.88608 2.89826 2.93123 2.97695 3.01538 3.02637 3.06095 3.09894 3.16550 3.19240 3.20820 3.23328 3.30491 3.31479 3.41060 3.51718 3.60923 4.09779 4.32757 4.48896 4.54141 4.55419 4.62256 4.66800 4.74032 4.78426 4.81420 4.94026 5.24495
13.91307
-0.7059 -0.7389 1.0302
1.4511
|XX|YY|ZZ|XY|XZ|YZ|
-61.3905 -72.6462 -73.0900 -2.7772 4.0114 1.0127
|XX|YY|ZZ|XY|XZ|YZ|
7.6517 -3.6040 -4.0478 -2.7772 4.0114 1.0127
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
40.2016 0.7407 -0.1917 0.5748 -8.6754 9.7815 -1.8936 -4.5291 3.4313 3.8150
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-2164.8107 -506.1494 -261.8245 -16.0764 28.7892 -9.1065 -4.3176 13.8945 0.1829 -504.1639 -459.2563 -123.1919 -37.0310 3.7649 -9.9325
0
|0.64503330|-0.00884458|0.56445971|0.00011895|0.00021082|0.66154706|-0.10230704|-0.01236851|-0.00383458|0.47597037|-0.00405646|-0.24508302|-0.02349753|0.01750299|0.65282961|-0.00439256|-0.01576871|-0.09902948|0.04173064|0.00138107|0.68572299|0.00785944|-0.00035364|0.00155273|-0.11654523|0.03522077|-0.02986408|0.67210969|0.02601184|-0.01486773|0.01280483|0.05581342|-0.11630688|0.00791222|0.00271013|0.49682498|0.00678039|-0.00023229|0.00142621|-0.05179455|0.01586834|-0.11173355|0.02708755|0.12876597|0.61127601|-0.00419507|-0.00030657|0.00146990|0.00900255|-0.00404766|0.00529687|-0.13740290|-0.07221316|0.03267494|0.45059436|0.00076041|-0.00207668|0.00389957|-0.00517394|-0.06829483|0.03413835|-0.04579325|-0.11000873|0.00245071|0.05037196|0.66643295|-0.00075662|0.00163751|-0.00372861|0.00917902|0.06906500|-0.02186720|0.02176935|0.00836786|-0.10577624|0.02357856|-0.02254708|0.72459482|-0.00066283|-0.00404665|0.00372415|-0.12850781|-0.01879468|0.06305062|-0.10137404|0.02134151|0.02067922|-0.11609609|0.06306588|0.00038788|0.71013379|-0.03062129|-0.01084304|0.02542098|-0.05726184|-0.09536657|0.07148920|0.00574880|-0.00271829|0.00632334|0.05770802|-0.20690611|-0.00701517|-0.00502494|0.46874622|0.00129745|0.00361109|0.00016263|0.03969481|0.02528698|-0.16172043|-0.00219695|0.00819766|0.00549208|-0.03940759|0.04567529|-0.07299409|0.02720003|-0.09741837|0.37360493|-0.00060984|0.00014330|0.00097685|-0.03881896|-0.00876299|-0.02025387|-0.01178393|0.00412913|0.00588317|-0.03529904|-0.00758830|-0.01775104|-0.29735957|-0.00034487|-0.02871930|1.02800487|-0.00256435|0.00024978|0.00074413|-0.00415326|-0.00184918|-0.01833685|0.00559783|-0.00242510|-0.00027043|0.02554476|0.02117545|0.00719520|-0.04401321|-0.10382240|-0.02182661|-0.02943662|0.37746135|-0.00089935|0.00006506|-0.00096027|0.01770700|-0.00704437|0.01638495|0.00767740|-0.00045303|-0.00140235|0.00046821|-0.00815353|-0.00916175|-0.09391532|-0.01678531|-0.12634439|0.07417120|0.28850648|0.61111277|-0.00015349|-0.00000026|-0.00085093|0.00119878|-0.00035433|0.00079884|0.00161354|-0.00084323|-0.00103110|0.00183328|0.00084954|0.00059859|-0.01867299|-0.03182206|-0.04847476|-0.12305507|-0.02679010|-0.04505908|0.73724717|0.00024368|-0.00029435|-0.00048238|-0.00165618|-0.00169887|0.00010679|0.00063162|-0.00016553|-0.00003673|0.00196436|0.00192410|0.00218270|-0.00927618|-0.00999806|0.00220565|0.01713889|-0.16420159|-0.11853459|-0.05955204|0.27965107|0.00054257|-0.00018851|-0.00040859|0.00133073|0.00034534|0.00322764|0.00122391|-0.00022665|-0.00033492|-0.00039476|0.00184737|-0.00080026|-0.01485196|-0.00049699|-0.01657055|0.02001979|-0.12465640|-0.26258262|-0.00288961|0.21552710|0.44434680|-0.00094996|0.00019199|0.00103283|0.00228415|0.00084741|-0.00564647|-0.00093168|0.00085790|0.00118687|0.00133227|-0.00508467|-0.00175280|0.00311016|0.00404852|0.00724084|-0.11875810|-0.05600791|-0.10081828|-0.46244104|0.03016090|-0.00766134|0.82706237|0.00019490|0.00001546|-0.00021951|0.00032988|0.00049897|0.00135704|0.00038158|-0.00013772|-0.00015906|0.00037484|0.00038285|0.00010785|-0.00191227|-0.00088878|-0.00966440|-0.00787744|-0.00434186|-0.02724616|0.02715370|-0.10782942|-0.02502995|0.05791688|0.39535735|0.00017826|-0.00011495|0.00003343|0.00060214|-0.00003994|0.00018202|0.00042580|-0.00010801|-0.00006087|0.00091570|0.00036220|0.00102276|-0.00299368|-0.00826254|-0.00772421|-0.03024974|-0.03399801|-0.04087057|-0.01210823|-0.02448729|-0.12624833|0.17698586|0.34026552|0.69496613|-0.00065609|0.00021243|0.00039140|-0.00014547|0.00103071|-0.00327800|-0.00130226|0.00049474|0.00057666|-0.00075821|-0.00306307|-0.00039520|-0.00203265|0.00548943|0.00709212|-0.16131241|0.02550975|0.01328140|-0.04393807|0.01159765|0.00729545|-0.16839487|0.05478994|0.06921931|1.03829684|-0.00046784|-0.00001753|0.00058037|0.00121882|-0.00105453|-0.00255681|-0.00011046|0.00049748|0.00029405|0.00047950|-0.00204984|-0.00001570|0.00479402|0.00707395|-0.00173861|-0.02359874|0.00505298|-0.01414019|0.08028199|0.02022743|0.00190387|0.01986150|-0.15983374|-0.10528155|-0.10023052|0.34595767|-0.00081018|0.00026080|0.00066053|0.00161428|0.00090995|-0.00372352|-0.00043151|0.00036599|0.00077182|0.00113554|-0.00313139|-0.00220691|0.00503685|-0.00258333|0.00752105|-0.05881422|-0.00731546|-0.00629609|0.10831164|-0.00792497|0.03032996|0.01780449|-0.10040682|-0.23155821|-0.02553567|0.24817339|0.52956920|0.00096499|-0.00023104|-0.00113226|-0.00205485|0.00405272|0.00444881|-0.00116152|-0.00037206|-0.00047022|-0.00112144|0.00226720|0.00539546|-0.04432004|0.00897616|0.00800304|-0.23728997|0.10262681|0.12799112|-0.08061485|0.02725473|0.02450455|0.06106041|-0.06374645|-0.08895307|-0.32002363|-0.06820668|-0.13265734|0.64499449|-0.00008942|0.00013831|0.00043482|-0.00363745|0.00104341|-0.00298270|-0.00101780|-0.00015279|0.00086599|0.00160384|-0.00110090|-0.00013782|-0.00695332|-0.00505361|0.01904739|0.05937889|-0.14048334|-0.08536585|0.00842420|-0.01996005|-0.07181149|0.00441772|-0.00219949|-0.04128052|-0.07341459|-0.14072466|-0.08559986|0.00123564|0.30398047|0.00013172|-0.00006652|0.00032583|0.00021148|0.00092987|-0.00160655|-0.00150180|0.00091650|0.00048410|-0.00393957|-0.00288043|0.00018873|-0.01331106|0.02159950|0.01111010|0.06434995|-0.07964784|-0.18498301|-0.00273083|-0.06899131|-0.07250400|0.01092661|-0.05066010|-0.04690971|-0.14069704|-0.08519621|-0.23479528|0.07494227|0.26013201|0.52126770|0.00039730|-0.00022467|-0.00007053|-0.01972322|0.00829377|0.01008278|-0.17170142|0.04649655|0.06354434|-0.01987537|0.01102111|0.01200702|-0.00718939|0.00011718|-0.00096161|-0.00107965|0.00144446|0.00184913|0.00048858|0.00003155|0.00010236|-0.00024025|0.00004326|0.00003341|-0.00023327|-0.00005010|-0.00009215|-0.00023073|-0.00016666|-0.00034356|0.98568228|0.00098813|-0.00021337|0.00005897|0.01097394|-0.00828429|-0.01568198|0.04518910|-0.13064712|-0.05240305|-0.00674644|0.01766461|0.01513871|-0.00105736|-0.00146713|0.00019923|-0.00120611|0.00196476|-0.00055962|0.00032566|0.00030086|0.00026480|-0.00044408|0.00010158|0.00016489|-0.00030152|-0.00031856|-0.00023332|0.00029214|0.00008372|-0.00059135|0.01410832|0.33573779|-0.00292564|0.00022969|-0.00167956|-0.00467198|0.00469353|0.01910652|0.06013075|-0.05152825|-0.16578895|0.00640960|-0.00383567|-0.00614963|-0.00265034|0.00036683|-0.00148266|-0.00239012|-0.00021276|0.00154645|0.00053866|0.00022018|0.00055784|-0.00070751|0.00023808|0.00019762|-0.00046305|-0.00021434|-0.00056216|0.00033840|-0.00065708|-0.00041556|0.09762446|0.23286877|0.54106852|-0.00090367|-0.00003450|-0.00006883|0.00173321|-0.00128595|0.00240310|-0.02752368|0.00129487|-0.00194467|0.00165002|0.00208901|0.00032186|-0.00057127|-0.00003553|-0.00025578|-0.00058440|0.00013347|0.00011866|0.00006097|0.00012705|0.00019767|-0.00020809|0.00007427|0.00008079|-0.00014812|-0.00010036|-0.00016677|0.00012169|-0.00011414|-0.00014947|-0.65241313|-0.02078434|-0.08640344|0.99681675|-0.00001283|0.00008004|0.00033671|0.00113386|-0.00042477|-0.00169567|0.01807185|0.00854556|0.00187267|0.00025923|-0.00258975|-0.00147158|0.00090521|0.00046898|0.00013947|0.00056151|-0.00014228|-0.00022621|-0.00012236|-0.00008212|-0.00018915|0.00024781|-0.00006701|-0.00006790|0.00015641|0.00010387|0.00018976|-0.00015963|0.00014507|0.00016919|-0.02049073|-0.08824566|-0.03877166|-0.01677594|0.31973036|0.00087365|0.00004516|0.00047916|0.00094455|-0.00020021|-0.00399157|0.02389145|0.00013863|0.01109945|0.00145777|-0.00265845|-0.00145763|0.00131995|-0.00005646|0.00073791|0.00082851|-0.00028874|-0.00026550|-0.00018967|-0.00016656|-0.00023567|0.00036030|-0.00010032|-0.00009419|0.00023173|0.00016512|0.00026456|-0.00022735|0.00018070|0.00025202|-0.08617218|-0.03878712|-0.13039305|0.05533046|0.27268126|0.55494483|-0.22702535|-0.06710532|0.12270705|-0.00226356|0.00144438|0.00114489|0.00014028|-0.00066498|-0.00002831|-0.00024899|-0.00018762|-0.00003996|0.00155334|-0.00033307|-0.00048252|0.00012998|0.00032204|0.00019271|0.00004433|0.00007313|0.00001449|-0.00005653|0.00005093|0.00004339|0.00000622|-0.00004320|-0.00004993|0.00015019|-0.00014979|-0.00010818|0.00013079|-0.00003073|0.00022812|0.00004155|-0.00004291|-0.00010195|0.24304252|-0.06538406|-0.08636018|0.04606852|-0.03182048|-0.00468690|0.02377461|0.00087504|0.00120416|0.00042496|-0.00156935|-0.00007167|0.00044549|0.00023289|-0.00793797|-0.00017115|-0.00033614|-0.00089427|-0.00012174|0.00012428|0.00023207|0.00044279|-0.00061912|0.00015020|0.00012068|-0.00036420|-0.00029273|-0.00050403|0.00056019|-0.00016596|-0.00008819|-0.00016297|-0.00006049|-0.00002102|0.00032382|0.00014776|-0.00015413|0.07406976|0.08837624|0.12300496|0.04743045|-0.14944933|-0.00362234|-0.00124383|0.00086969|0.00013706|0.00010569|0.00014437|0.00017918|-0.00019212|0.00022883|0.00028309|-0.00028250|0.00093333|-0.00007227|0.00035548|0.00016704|0.00014346|0.00008807|-0.00002193|0.00003555|-0.00001117|0.00002748|-0.00000531|0.00002848|0.00003491|-0.00001840|0.00002046|-0.00001035|0.00011205|0.00010232|0.00001833|-0.00010651|-0.00006029|0.00010315|-0.13753746|-0.05300029|0.15552196|-0.25618310|0.10644407|-0.08043638|0.00533638|-0.00377213|0.00242158|0.00094250|-0.00176845|0.00014735|0.00015680|0.00023479|-0.00003375|0.00051034|0.00123045|-0.00015908|0.00021562|0.00014499|-0.00001552|-0.00001948|-0.00012617|-0.00011198|0.00017662|-0.00004854|-0.00005389|0.00010773|0.00004793|0.00015382|-0.00022872|0.00006440|0.00002671|0.00000773|-0.00011420|0.00011591|0.00008834|0.00002770|-0.00009316|-0.02280850|0.01280142|-0.01039517|0.27461186|0.10484345|-0.11603474|0.04189536|0.03763278|-0.01644709|0.01447230|-0.00328155|-0.00539317|-0.00280294|0.00124487|-0.00070934|0.00100365|-0.00113701|0.00204027|0.00037121|-0.00000122|-0.00009093|-0.00014908|-0.00017870|-0.00008509|-0.00011301|-0.00012314|-0.00006021|0.00000121|-0.00017322|-0.00002363|-0.00001414|-0.00035891|0.00009809|0.00001502|-0.00009124|-0.00036076|0.00117774|0.00029657|-0.00011366|-0.00038921|-0.01022226|0.00636010|-0.00586856|-0.11711390|0.12335144|-0.08069615|0.04213338|-0.09176832|0.00368611|-0.00126430|0.00053082|-0.00083410|-0.00042822|0.00055671|-0.00003835|-0.00006716|0.00007902|-0.00004640|-0.00015703|-0.00013509|-0.00022797|0.00044487|0.00061731|0.00015249|-0.00002425|-0.00020473|-0.00000475|0.00003620|-0.00001832|0.00008540|-0.00000215|0.00004796|0.00008760|-0.00022801|-0.00006921|0.00007524|0.00036336|0.00002936|-0.00003501|0.00000192|-0.00002282|0.01799891|-0.01158370|0.00862576|0.08932591|-0.04638920|0.09090781|-0.06644705|-0.01199727|-0.04212128|-0.00126242|-0.00124187|-0.00336177|0.00028652|0.00041894|0.00103629|0.00028786|-0.00010269|0.00002504|0.00000449|0.00059029|-0.00071108|-0.00031106|-0.00021670|-0.00026646|0.00005067|0.00007631|0.00021214|0.00002075|0.00003412|0.00005011|-0.00002778|0.00000292|-0.00001594|0.00007974|0.00007211|0.00002494|-0.00012103|0.00006867|0.00005847|0.00008262|0.00002718|0.00000386|0.00692843|0.00987550|0.02813647|-0.00337158|-0.01012814|-0.03046550|0.06294099|-0.01206583|-0.08073493|-0.07330059|-0.00580061|-0.01209665|-0.04059740|-0.00098016|0.00166233|-0.00130905|0.00016353|0.00036154|-0.00029291|0.00070573|0.00290782|0.00066502|-0.00006586|0.00006405|-0.00015390|-0.00006750|-0.00004100|0.00010451|0.00009335|0.00002461|0.00012469|-0.00003611|0.00007844|0.00001435|-0.00013963|0.00004515|0.00010375|0.00022152|0.00009655|-0.00001332|0.00001034|0.00002710|0.00004297|0.00371053|0.00338351|0.01161645|0.00097740|0.00547789|0.01689058|0.01313483|0.08646527|-0.04292570|-0.07795734|-0.32007217|0.00046990|0.00085774|-0.00213107|-0.00015444|0.00022079|0.00033521|-0.00000946|0.00029679|0.00036531|-0.00042896|0.00013639|0.00195734|-0.00002685|-0.00017980|-0.00020160|0.00005633|0.00011721|0.00018253|-0.00005154|0.00002489|0.00005458|-0.00004849|-0.00002790|-0.00009254|0.00007940|0.00000422|0.00001184|0.00015796|0.00015128|0.00022092|-0.00001808|-0.00007797|-0.00007662|-0.00359004|-0.00502531|-0.01724843|-0.00148313|-0.00258658|-0.01000196|0.04738800|0.08444244|0.34463980|0.00198411|-0.00002488|-0.00296389|-0.07008735|-0.01422357|-0.05230656|-0.00500179|-0.00942226|-0.02860214|-0.00317316|0.00211979|-0.00021376|-0.00176294|0.00098544|0.03968860|0.00548832|0.00191005|0.00116015|-0.00077953|-0.00032158|0.00000144|-0.00048204|-0.00002144|-0.00023388|0.00003614|-0.00007472|-0.00032157|-0.00014838|0.00010489|-0.00048977|0.00164653|-0.00200819|-0.00024897|-0.00020719|-0.00002195|0.00017270|0.00008569|0.00032502|-0.00017280|0.00036149|-0.00042495|0.00058435|0.00103229|-0.00072462|0.00012771|0.07256105|-0.00722298|-0.00988276|-0.03750376|-0.01595255|-0.09283342|-0.07918161|0.00273265|0.00600151|0.01682753|-0.00006814|0.00160949|-0.00077626|0.00147982|0.00390624|0.01743850|0.00091483|0.00060264|-0.00103426|-0.00039352|0.00010322|0.00068402|-0.00006508|-0.00005651|-0.00004910|0.00002482|0.00000755|-0.00017633|0.00006778|0.00007660|-0.00016716|0.00025770|0.00184913|0.00024774|0.00006083|-0.00006229|-0.00002501|-0.00048731|0.00135481|0.00078901|0.00090442|0.00168177|0.00046613|-0.00082381|-0.00802439|-0.00015431|0.01731118|0.09693091|-0.00075995|0.00034645|0.00124019|-0.04487968|-0.07746106|-0.30381735|-0.00329083|-0.00296249|-0.00956535|0.00126593|-0.00192073|0.00007624|0.00427520|-0.00046671|-0.02902343|-0.00279813|-0.00086892|0.00049359|-0.00084909|-0.00094381|0.00088778|0.00127831|0.00011980|0.00055271|0.00016907|0.00054624|0.00073239|-0.00078701|0.00051822|0.00051324|0.00119015|-0.00137020|0.00027393|-0.00027147|0.00023162|0.00063680|-0.00043111|-0.00089837|0.00031953|0.00035496|-0.00049513|0.00031694|0.00003288|0.00035761|0.00143185|0.04623807|0.08097642|0.33421969|0.00135749|-0.00125231|-0.00032057|-0.00771110|-0.01045184|-0.01522992|-0.11695664|-0.05777065|-0.09597925|-0.00888818|-0.01063637|-0.01956302|-0.00003593|0.00026240|0.00034191|-0.00035807|0.00042597|0.00054596|0.00006140|0.00020775|0.00028802|-0.00007199|0.00012794|0.00017194|-0.00016813|-0.00005854|-0.00009806|-0.00006457|-0.00002648|-0.00006402|0.01304888|0.01333642|0.02185484|0.00138944|0.00024378|0.00054037|0.00006524|0.00034786|0.00002464|0.00005738|-0.00010078|0.00035038|0.00001146|0.00082784|0.00046932|-0.00269368|0.00151537|-0.00029217|0.12626399|-0.00105419|0.00174892|0.00038200|0.01052184|0.01293503|0.02129729|-0.05710636|-0.12138449|-0.10526636|-0.00966634|-0.01279806|-0.02031136|0.00028638|-0.00045627|0.00037953|-0.00023960|0.00029632|-0.00031749|0.00005057|0.00011860|-0.00002939|0.00000333|0.00008060|-0.00003052|-0.00001780|-0.00007890|0.00003867|0.00001517|0.00012310|-0.00006366|-0.00783606|-0.00739741|-0.01370168|-0.00095461|0.00006320|0.00100146|-0.00013050|-0.00005368|0.00009324|-0.00008147|0.00038064|-0.00011468|0.00013456|-0.00017700|-0.00034386|0.00419020|-0.00232078|0.00166266|0.06142031|0.12851148|0.00133610|-0.00140126|0.00101253|-0.00743806|-0.00895636|-0.01613366|-0.09480597|-0.10551103|-0.23100570|0.00671888|0.00824651|0.01337278|0.00066608|0.00040972|-0.00001159|-0.00052234|-0.00019334|0.00005069|0.00011453|-0.00001644|0.00017529|-0.00004685|-0.00001407|0.00007496|-0.00004616|0.00001930|-0.00008214|0.00002920|-0.00006688|0.00005353|-0.01070038|-0.01094206|-0.01725508|-0.00119255|0.00109148|0.00098065|0.00001495|0.00022785|-0.00016725|0.00018668|-0.00014333|0.00044188|0.00003403|0.00095260|0.00065011|-0.00290180|0.00211913|-0.00030367|0.10253688|0.11460755|0.24716417|0.00101316|-0.00010240|-0.00017043|-0.00390586|-0.00038858|0.00143834|-0.00544585|-0.02321643|-0.02253235|-0.07334324|-0.05090916|-0.04047109|0.00212338|0.03135338|0.01433352|0.00495263|-0.00018221|0.00259795|-0.00081641|0.00017216|-0.00042116|-0.00034411|-0.00012693|-0.00012585|0.00001269|-0.00018896|-0.00010795|-0.00026175|-0.00044829|-0.00011594|0.00206905|0.00072038|-0.00209772|-0.00020354|0.00021076|0.00006602|0.00006024|0.00028295|-0.00011451|0.00006383|-0.00025387|0.00010790|-0.00011651|0.00005990|0.00006552|0.00058972|-0.00025414|-0.00007876|-0.00360976|-0.00435044|0.00309580|0.07421180|-0.00049030|-0.00022201|0.00081472|0.00199294|0.00109907|-0.00234931|-0.00308704|-0.00832989|-0.00825694|-0.04337738|-0.21663084|-0.12857416|-0.00045436|-0.03222755|-0.01599510|-0.00336721|0.00153721|-0.00133128|-0.00040932|0.00091559|-0.00059780|0.00116736|0.00031774|0.00046308|0.00009220|0.00046063|0.00068706|-0.00061329|0.00046559|0.00053916|0.00095273|0.00088330|-0.00134823|-0.00017152|0.00040798|0.00039618|-0.00013010|-0.00023786|0.00007374|0.00008193|0.00006688|-0.00004145|0.00008569|0.00028254|0.00011781|-0.00012341|-0.00024793|0.00093227|-0.00067564|-0.00130321|0.00128231|0.04654398|0.24034326|-0.00006221|0.00010678|0.00000900|0.00014476|-0.00091739|0.00047122|0.00070276|0.00792581|0.00748302|-0.03978032|-0.13322844|-0.18438194|0.00398342|0.00513546|0.00679455|-0.00014000|-0.00073745|0.00035434|-0.00052192|0.00098063|0.00006409|0.00043085|0.00011041|0.00006777|0.00008597|0.00002308|0.00026242|-0.00028409|-0.00006718|0.00018724|0.00060089|-0.00033465|0.00131627|-0.00005663|0.00019529|0.00009482|0.00000914|-0.00005299|0.00002514|-0.00001926|-0.00002871|0.00000536|0.00001145|0.00004046|-0.00013184|-0.00024202|-0.00008729|0.00010136|0.00132621|0.00178475|-0.00016883|0.04231258|0.14531745|0.18707575|0.00185870|-0.00018917|-0.00000001|-0.00381115|-0.00123424|0.00024843|0.00601171|-0.00317758|0.02809917|-0.06604980|-0.00487301|0.00706995|0.00296214|0.00920626|-0.02209244|-0.00107568|0.00002388|-0.00247721|-0.00020036|0.00033424|0.00033751|-0.00058264|0.00021542|0.00013023|-0.00046183|-0.00029383|-0.00053772|0.00072976|0.00009640|-0.00000678|-0.00041923|-0.00297086|-0.00014794|-0.00069516|0.00074875|0.00031210|0.00001336|0.00047084|0.00005797|-0.00007583|-0.00055488|-0.00007847|-0.00002195|-0.00000305|-0.00001848|0.00062973|-0.00000715|-0.00022430|0.00170039|0.00165326|-0.00131520|0.00303995|0.00220339|-0.00839976|0.05672976|-0.00028240|-0.00004818|0.00127899|0.00159783|-0.00561771|0.00212617|0.00082151|-0.00331365|0.01210408|-0.00134571|-0.08492973|0.07730616|0.00028220|-0.01215264|0.02467277|0.00064626|-0.00093613|0.00146036|-0.00063569|-0.00045366|-0.00068767|0.00116176|-0.00010400|-0.00010611|0.00051060|0.00040426|0.00093042|-0.00105514|0.00035579|0.00018219|-0.00018494|-0.00151423|-0.00029827|-0.00020203|0.00037858|0.00040111|-0.00009293|-0.00033821|-0.00005032|0.00005265|-0.00013472|-0.00003274|-0.00000789|0.00004383|-0.00013197|-0.00025079|-0.00027200|0.00079474|0.00002583|0.00106748|-0.00035689|0.00065536|0.01223798|-0.02641322|-0.00164838|0.09506949|-0.00011692|-0.00029545|-0.00024908|-0.00035330|0.00127087|0.00103368|-0.00182854|-0.00100088|-0.00299439|0.00296913|0.08155915|-0.33303471|-0.00098886|0.00378758|0.00414254|-0.00028869|-0.00023051|-0.00107562|-0.00020328|0.00044563|0.00021117|-0.00023730|0.00020758|0.00011800|-0.00028651|-0.00013198|-0.00022428|0.00002666|-0.00003089|-0.00001847|0.00058202|0.00073886|0.00001409|0.00019282|-0.00014773|-0.00014242|0.00004430|0.00008531|-0.00000683|-0.00001203|0.00013474|0.00001384|0.00000582|0.00007250|0.00002741|0.00000648|-0.00036279|0.00016725|0.00027717|0.00029985|0.00118398|0.00119825|0.00687060|-0.01969324|-0.00093883|-0.09335109|0.35027034|-0.00006670|0.00002556|0.00003706|0.00034424|0.00022042|-0.00023065|0.00000772|0.00002198|0.00004076|0.00026024|-0.00038266|0.00003074|-0.00056224|-0.00108505|-0.00196459|-0.00837279|0.00125722|-0.00047946|-0.01232369|-0.01948398|-0.02927194|-0.14368086|-0.06683049|-0.11288120|0.01522126|0.00427028|0.00844080|-0.00033314|0.00385674|0.00450085|-0.00000246|-0.00003722|-0.00005495|-0.00001756|0.00002003|0.00002890|-0.00001045|-0.00004020|0.00000934|0.00001440|-0.00000957|0.00000408|0.00000542|0.00000975|-0.00000183|-0.00003335|-0.00002212|0.00009596|-0.00000036|0.00000453|0.00000377|-0.00000608|0.00008701|0.00003666|-0.00005665|0.00006724|-0.00001963|0.15009182|0.00004482|0.00004046|-0.00009049|0.00015156|0.00037521|0.00070483|-0.00001587|-0.00001440|0.00000331|-0.00016616|-0.00045369|-0.00057568|0.00014151|0.00192010|-0.00061423|0.00285731|0.00628801|-0.00303526|0.00074573|-0.00161686|0.00969850|-0.07270619|-0.12168018|-0.13130219|-0.01071914|-0.00212360|-0.00414082|0.00092893|0.00331490|-0.00698563|0.00000069|-0.00001787|0.00000284|-0.00000444|-0.00000191|0.00000586|-0.00001307|0.00001716|-0.00000299|0.00000853|0.00000343|-0.00000958|0.00000751|-0.00002071|-0.00000442|-0.00012647|-0.00007739|-0.00003284|-0.00000354|0.00001310|-0.00001117|0.00009915|-0.00003395|0.00007508|-0.00004895|0.00008526|-0.00000024|0.07848852|0.11519792|-0.00004569|-0.00002229|0.00005424|-0.00007367|-0.00019031|-0.00049670|-0.00002776|0.00001739|0.00000451|0.00011810|0.00027037|0.00044609|-0.00004268|-0.00077500|0.00121363|0.00168193|-0.00326468|0.00406256|0.00049177|0.00689383|0.00207168|-0.12147258|-0.13046136|-0.24812010|-0.01361755|-0.00206174|-0.00523536|0.00020555|-0.00659838|-0.00152860|0.00000331|-0.00000361|-0.00002467|-0.00000976|0.00000985|0.00000703|-0.00000925|-0.00001911|0.00000878|0.00000237|0.00000606|-0.00001200|0.00000672|0.00000975|0.00000520|0.00006367|0.00004644|0.00000754|-0.00000679|-0.00001037|0.00000473|-0.00009147|0.00001126|-0.00006083|0.00002367|-0.00006701|-0.00001848|0.13216457|0.13576722|0.24843195|-0.00003178|0.00001888|0.00001663|0.00006888|0.00031122|-0.00021721|-0.00017987|0.00004762|0.00004396|-0.00007721|-0.00035702|0.00017690|-0.00056437|0.00070300|0.00050364|-0.00261642|-0.00150566|-0.00373554|0.00044134|0.00034610|-0.00055106|0.00226953|-0.00115151|-0.00125433|-0.35398928|0.08254418|0.07727061|-0.02039061|0.00685009|0.00844328|-0.00002591|-0.00004038|-0.00005197|-0.00002213|0.00001915|0.00002789|-0.00000791|-0.00002749|0.00000279|0.00001220|-0.00000408|0.00000428|-0.00000102|-0.00000235|-0.00000829|-0.00001099|-0.00001207|0.00003163|-0.00002990|-0.00000490|-0.00000485|0.00000154|0.00002106|0.00000618|-0.00002807|0.00003041|-0.00003246|-0.00045997|0.00033052|0.00064080|0.37565436|0.00004707|-0.00002096|0.00002285|0.00028444|0.00000010|0.00013921|-0.00005509|0.00012074|-0.00001106|-0.00044811|-0.00035727|-0.00009004|-0.00035930|0.00265084|-0.00101819|-0.00311165|0.00476663|-0.00544597|0.00328109|0.00304534|-0.00681677|0.01398760|0.00028600|0.00363369|0.08836732|-0.07340746|-0.03957665|-0.01329807|-0.00003304|0.01063318|-0.00002639|-0.00006532|0.00001666|-0.00000200|-0.00000020|0.00001169|-0.00000416|0.00001443|-0.00000173|-0.00000042|-0.00000012|-0.00000486|0.00000215|0.00001772|0.00000761|-0.00006864|-0.00001256|0.00010201|0.00000161|-0.00002773|0.00001884|0.00001951|-0.00000468|-0.00000118|-0.00004689|0.00003223|-0.00000797|-0.00044828|-0.00122342|0.00044575|-0.08812002|0.06420130|-0.00002881|0.00001073|0.00005076|-0.00031096|0.00019777|-0.00042307|-0.00014446|-0.00000219|0.00011680|0.00013241|-0.00010386|0.00010874|-0.00112929|-0.00093647|0.00176029|-0.00593369|-0.00525470|-0.00042559|0.00379642|-0.00719790|-0.00207391|0.02100049|0.00152592|0.00432087|0.08589470|-0.04039438|-0.08550553|-0.02139353|0.01349105|0.00836048|-0.00003463|0.00001585|-0.00006205|-0.00000612|0.00001460|0.00001361|0.00000391|-0.00002276|-0.00000531|0.00000219|-0.00000930|0.00000388|-0.00000274|0.00000699|-0.00000638|-0.00000602|-0.00000181|0.00004379|0.00000188|0.00001978|-0.00001221|-0.00006016|0.00011559|0.00002601|0.00004019|0.00002833|0.00002103|-0.00050186|0.00055328|-0.00082746|-0.08131347|0.03794956|0.07450303|-0.00003547|0.00008172|-0.00004796|0.00140782|-0.00032624|0.00065779|0.01013837|0.01277897|0.01986284|0.00152890|0.00050586|0.00003177|-0.00001690|0.00001425|0.00002297|0.00005994|-0.00008866|-0.00011790|-0.00001881|-0.00001406|-0.00002242|-0.00006627|-0.00001507|-0.00003110|-0.00000714|-0.00002373|-0.00003732|0.00009902|-0.00004120|-0.00004211|-0.10432498|-0.04913551|-0.07900758|-0.00879961|-0.02016814|-0.03201280|-0.00000457|0.00000873|-0.00002540|-0.00000537|0.00002400|-0.00004491|-0.00002820|-0.00009057|-0.00009868|-0.00024126|0.00008814|-0.00038926|-0.00333362|0.00242614|0.00313995|-0.00028505|-0.00041694|-0.00013973|0.00001632|-0.00009289|-0.00014044|-0.00000946|0.00000146|0.00000032|0.00000118|-0.00000246|-0.00000430|0.10903822|0.00014821|-0.00003977|0.00022684|-0.00120385|0.00053968|-0.00092353|-0.00669770|-0.00393491|-0.01262847|0.00004825|0.00004541|-0.00001580|-0.00020234|0.00014690|0.00049607|0.00018146|-0.00010160|-0.00000005|-0.00005407|-0.00006144|0.00001713|0.00007174|-0.00000858|0.00000115|0.00003244|0.00003925|0.00003637|-0.00007901|0.00003376|0.00007036|-0.05076605|-0.13214955|-0.12694506|0.00080313|0.00611523|-0.00309378|-0.00002835|-0.00007146|-0.00001513|0.00001073|-0.00006035|0.00001303|-0.00001072|0.00014778|0.00009063|0.00066934|-0.00017863|0.00070216|0.00247356|0.00005032|-0.00195712|0.00036272|0.00035586|0.00017193|0.00003182|0.00014565|0.00009827|0.00000762|0.00000371|-0.00000190|0.00000163|0.00000814|0.00000019|0.05420916|0.12475952|0.00018592|-0.00000676|0.00029294|-0.00049091|0.00010320|-0.00056280|-0.00941486|-0.01075666|-0.01295747|-0.00116086|-0.00070810|0.00008621|-0.00024045|0.00050748|0.00055101|0.00028569|-0.00002841|-0.00009622|-0.00007503|0.00002162|-0.00005407|0.00010138|-0.00001169|-0.00000334|0.00004389|0.00003165|0.00006928|-0.00010925|0.00008131|0.00007994|-0.08151432|-0.12683711|-0.24977601|-0.00040783|-0.00505094|0.00058898|-0.00002412|0.00000357|-0.00001844|0.00001744|-0.00009700|0.00005350|-0.00004069|0.00020719|0.00004752|0.00059216|-0.00007035|0.00077367|0.00322790|-0.00206654|-0.00119490|0.00091228|0.00076189|0.00019077|0.00009951|0.00025528|0.00020454|0.00000996|-0.00000296|0.00000325|0.00000132|-0.00000032|0.00000803|0.08894091|0.14450034|0.25827445|0.00001052|-0.00001704|0.00006548|-0.00001515|0.00011033|-0.00009197|0.00169086|-0.00164523|-0.00135532|-0.00003610|-0.00000413|0.00009677|-0.00007993|0.00006403|0.00012595|0.00005684|-0.00002989|-0.00005649|-0.00002678|0.00000007|-0.00000399|0.00003261|-0.00000713|-0.00000490|0.00001438|0.00001205|0.00002110|-0.00003341|0.00003002|0.00003576|-0.00794172|-0.01951376|-0.03093265|-0.11419514|-0.05360114|-0.08740128|-0.00000332|0.00000873|-0.00003934|0.00002926|-0.00000438|0.00001246|-0.00002948|0.00005955|0.00003453|0.00019133|-0.00004383|0.00019038|-0.00037832|0.00071401|0.00101524|0.00019371|0.00014943|0.00003270|-0.00002797|0.00002729|0.00006331|0.00000441|0.00000004|0.00000070|0.00000046|0.00000097|0.00000184|-0.00624623|0.00060464|-0.00099810|0.11434769|0.00010601|0.00002543|0.00001153|0.00053843|0.00034874|-0.00060817|0.00033868|-0.00690510|0.00511265|-0.00041641|0.00079869|0.00014280|-0.00004660|-0.00028565|0.00025261|0.00001844|0.00010588|-0.00011859|-0.00001436|0.00001537|0.00001601|-0.00000890|0.00000007|0.00000576|-0.00000469|-0.00001560|-0.00000629|0.00000787|0.00001933|-0.00000769|0.00014220|0.00543004|-0.00300549|-0.05703790|-0.12785095|-0.12946046|-0.00001392|-0.00005764|0.00004837|-0.00003849|-0.00004684|0.00000760|0.00000766|-0.00000198|-0.00000549|0.00014360|-0.00006085|0.00008336|-0.00012680|0.00052219|0.00027450|-0.00003552|-0.00006807|-0.00005515|-0.00012937|-0.00006866|0.00003757|0.00000043|-0.00000004|-0.00000139|-0.00000215|-0.00000099|0.00000160|0.00051937|0.01026055|-0.00589736|0.06238830|0.12078008|-0.00017305|-0.00004464|0.00002498|-0.00024037|-0.00013201|0.00068175|0.00147272|0.00499662|-0.00257018|0.00039884|-0.00034223|0.00012904|-0.00004484|0.00026488|-0.00007637|-0.00001227|-0.00011756|0.00000373|-0.00002267|0.00001698|0.00002476|-0.00001078|0.00000537|0.00000251|-0.00000636|-0.00000470|-0.00001878|0.00000061|-0.00000245|0.00001926|-0.00100579|-0.00488828|-0.00005376|-0.09267954|-0.12918547|-0.24956601|0.00001718|0.00005191|-0.00008891|0.00005297|0.00007571|-0.00001629|-0.00001825|0.00001226|0.00002799|0.00003836|-0.00003853|-0.00005286|-0.00028440|0.00033297|0.00077761|0.00015974|0.00006024|-0.00003983|-0.00000376|0.00002345|0.00002627|0.00000124|-0.00000115|-0.00000076|-0.00000267|0.00000176|0.00000003|-0.00110241|-0.00585448|0.00523851|0.10223084|0.14411558|0.25653262|-0.00025157|-0.00001912|-0.00007540|-0.00018723|-0.00009420|0.00115035|-0.00348979|-0.00132357|-0.00390558|-0.00008148|0.00087033|0.00030832|-0.00058867|0.00003101|-0.00011917|-0.00022324|0.00004734|0.00007974|0.00002051|0.00007000|0.00010961|-0.00014043|0.00004963|0.00005293|-0.00009603|-0.00006552|-0.00011278|0.00007732|-0.00007580|-0.00009345|-0.01794937|0.01838796|0.02545467|-0.19549191|0.08876242|0.11980817|0.00003702|0.00001696|-0.00001704|0.00000012|0.00012013|-0.00000353|0.00000685|0.00000204|0.00001530|0.00001525|-0.00000486|-0.00007078|0.00034458|0.00002196|0.00008206|0.00000646|-0.00006119|-0.00003764|-0.00018551|-0.00008016|0.00008083|-0.00001375|-0.00000247|-0.00000629|-0.00001407|-0.00000025|-0.00000399|0.00113314|-0.00061436|0.00005806|0.01244146|-0.00633589|-0.00876534|0.20463035|-0.00023199|-0.00001886|-0.00009778|-0.00066406|0.00037488|0.00178367|0.00017936|0.01184876|-0.00753723|0.00060828|-0.00141764|-0.00076935|0.00004306|0.00026276|-0.00019181|-0.00003326|-0.00027638|0.00018458|0.00000079|-0.00004560|-0.00000766|0.00002332|-0.00000793|-0.00001422|0.00001640|0.00003726|0.00000663|-0.00002542|-0.00004946|0.00005535|-0.00313123|0.00662943|0.00049078|0.09228988|-0.11663311|-0.09968971|0.00000944|-0.00001142|-0.00002284|0.00003235|0.00010015|-0.00000973|-0.00000936|0.00001053|0.00002714|0.00007796|-0.00009436|0.00004670|-0.00011371|0.00008655|0.00032016|-0.00002331|-0.00006763|0.00005654|0.00019311|0.00006298|-0.00004899|0.00000226|0.00000475|-0.00000080|0.00000375|0.00001027|-0.00000784|-0.00024233|-0.00604545|0.00506067|0.01069708|-0.00294400|-0.00934623|-0.09970237|0.10818350|0.00014287|0.00001079|0.00002591|0.00039499|0.00003765|-0.00097436|-0.00157619|-0.00775854|0.00499969|-0.00045865|0.00102287|0.00086039|0.00003735|-0.00020549|0.00010143|0.00000341|0.00018232|-0.00012785|0.00000346|-0.00000016|-0.00003997|0.00002583|-0.00001406|-0.00001299|0.00001223|0.00000074|0.00003674|-0.00002016|0.00005293|-0.00001324|-0.00706996|0.00256532|0.00929330|0.12512710|-0.09998927|-0.18395748|-0.00001621|0.00001710|-0.00001151|0.00000544|-0.00006680|0.00001861|-0.00002250|0.00000304|0.00000498|0.00002950|0.00003367|-0.00002583|-0.00011922|0.00035612|0.00039211|0.00009949|0.00005091|-0.00005260|-0.00017783|-0.00006875|0.00002337|0.00000142|-0.00000127|0.00000376|0.00000194|-0.00000808|0.00000416|0.00060777|0.00501084|-0.00179937|0.01695699|-0.01094386|-0.01100529|-0.13398906|0.10971198|0.18225603|
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|
52.8333 60.2469 82.2504 121.7389 203.8519 221.3429 262.1826 278.9550 328.5840 378.9323 480.3598 494.2939 550.8404 630.7875 726.2319 746.7163 756.0496 821.7096 910.6776 941.1602 1009.0316 1010.6144 1034.9154 1066.6131 1069.6936 1082.1503 1106.7775 1116.4675 1147.5340 1162.8384 1193.7358 1215.8280 1219.5022 1264.8423 1282.0096 1316.0649 1322.6112 1376.7358 1419.2386 1427.0872 1437.3044 1448.5076 1485.9416 1510.3933 1536.5079 1554.2025 1572.6764 1606.5763 1613.2753 1630.3287 1638.6092 1668.5354 1701.3611 1878.6279 3204.5867 3220.5034 3237.1072 3253.5514 3267.4642 3284.6997 3299.9749 3318.7948 3334.0874 3409.3838 3455.8840 3473.8515
5.2590 4.1660 2.8395 3.5064 2.7338 1.1607 2.4681 2.1526 2.5268 4.9871 2.8148 3.1950 3.8895 3.3589 2.1978 3.5731 4.5831 2.7383 1.9008 1.1863 1.4097 1.5990 3.0887 7.1021 1.5146 1.3254 2.7140 2.1432 1.2143 1.8085 1.8994 1.9840 3.1499 3.4648 1.4819 1.7355 1.5732 1.3649 1.3632 1.3461 6.2839 1.3110 3.4796 1.9189 1.3480 3.8070 1.4354 1.9375 2.2049 1.0521 1.0548 1.1378 5.0439 4.2777 1.0385 1.0826 1.0610 1.0873 1.1026 1.1034 1.1085 1.0766 1.0780 1.1164 1.0951 1.1057
0.0086 0.0089 0.0113 0.0306 0.0669 0.0335 0.1000 0.0987 0.1607 0.4219 0.3827 0.4599 0.6953 0.7874 0.6829 1.1738 1.5435 1.0894 0.9288 0.6191 0.8456 0.9622 1.9491 4.7605 1.0211 0.9145 1.9588 1.5740 0.9421 1.4408 1.5947 1.7280 2.7600 3.2659 1.4350 1.7710 1.6214 1.5242 1.6178 1.6152 7.6485 1.6207 4.5267 2.5792 1.8751 5.4181 2.0918 2.9464 3.3812 1.6476 1.6687 1.8663 8.6022 8.8949 6.2835 6.6156 6.5508 6.7812 6.9359 7.0142 7.1123 6.9863 7.0600 7.6460 7.7057 7.8614
0.1225 0.2679 0.0316 1.0834 3.8907 0.7712 1.7155 1.9256 4.5666 2.7499 5.5386 8.2872 1.9106 3.2754 3.1106 0.3338 3.0144 6.5599 1.8949 38.5356 0.4774 4.1252 7.4308 23.3885 6.7725 46.5126 32.9390 7.2522 14.8504 14.2845 28.6276 0.2609 8.0980 19.8286 6.4129 13.1375 12.2623 0.2714 14.2565 4.2830 2.1863 1.9003 8.2443 7.2638 8.7433 19.7669 18.1270 0.6085 4.6147 3.2016 2.9499 7.2215 3.3472 6.3778 23.5211 14.0589 27.8428 11.5539 32.2099 30.0967 39.3672 27.4689 7.2984 22.0864 3.2932 6.1696
1.7218 0.3851 5.8199 6.8177 1.7280 1.2102 1.3810 2.9307 3.2929 8.1097 2.4974 2.7130 0.1568 2.7643 2.8424 0.1558 1.2301 3.3375 13.7189 0.4408 2.7099 13.5096 2.6149 7.5693 1.2786 1.8812 16.4039 10.3251 8.0972 8.2605 2.8509 1.4824 12.7475 4.3235 7.1068 2.3148 1.8110 5.5407 4.5847 2.9561 16.7067 38.1879 5.0992 9.3752 3.1384 36.9992 2.0359 7.8860 22.6997 15.6941 11.5540 16.6715 0.7440 76.5036 82.8077 52.9280 89.1318 31.8973 72.3128 52.0727 73.1421 17.7700 128.2618 90.8954 77.2243 145.3193
0.7408 0.7113 0.7430 0.7483 0.7101 0.7366 0.7476 0.6851 0.4642 0.2888 0.1576 0.7363 0.2052 0.4581 0.6908 0.7474 0.7360 0.4857 0.1482 0.7499 0.7482 0.7443 0.1889 0.7496 0.4117 0.7204 0.2861 0.5667 0.7484 0.1075 0.6997 0.5832 0.1529 0.6639 0.7398 0.5308 0.4801 0.6881 0.6587 0.7490 0.1778 0.3809 0.7112 0.7436 0.4915 0.4797 0.7172 0.6503 0.1815 0.7476 0.7469 0.6905 0.6696 0.2286 0.0390 0.2225 0.0955 0.3662 0.7484 0.7454 0.4739 0.6943 0.1354 0.6231 0.7376 0.1361
0.8511 0.8313 0.8526 0.8560 0.8305 0.8483 0.8556 0.8131 0.6341 0.4482 0.2723 0.8481 0.3405 0.6284 0.8171 0.8554 0.8479 0.6539 0.2582 0.8571 0.8560 0.8534 0.3178 0.8569 0.5833 0.8375 0.4449 0.7234 0.8561 0.1941 0.8233 0.7367 0.2653 0.7980 0.8504 0.6935 0.6487 0.8152 0.7942 0.8565 0.3020 0.5517 0.8312 0.8529 0.6591 0.6484 0.8353 0.7881 0.3072 0.8556 0.8551 0.8169 0.8021 0.3721 0.0750 0.3640 0.1744 0.5361 0.8561 0.8541 0.6431 0.8196 0.2385 0.7678 0.8490 0.2395
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 6 7 7 7 6 6 7 6 6 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 12.00000 12.00000 14.00307 14.00307 14.00307 12.00000 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
754.29932 3422.72115 3702.36959
1.00000 -0.00205 0.00195 0.00200 0.99974 0.02276 -0.00199 -0.02275 0.99974
1
0.11483 0.02531 0.02339
2.39261 0.52728 0.48746
76.02 86.68 118.34 175.16 293.30 318.46 377.22 401.35 472.76 545.20 691.13 711.18 792.54 907.56 1044.89 1074.36 1087.79 1182.26 1310.26 1354.12 1451.77 1454.05 1489.01 1534.62 1539.05 1556.97 1592.41 1606.35 1651.05 1673.07 1717.52 1749.31 1754.59 1819.83 1844.53 1893.52 1902.94 1980.82 2041.97 2053.26 2067.96 2084.08 2137.94 2173.12 2210.69 2236.15 2262.73 2311.50 2321.14 2345.68 2357.59 2400.65 2447.88 2702.93 4610.69 4633.59 4657.48 4681.13 4701.15 4725.95 4747.93 4775.01 4797.01 4905.34 4972.25 4998.10
0.216282
0.226637
0.227582
0.179080
-527.380681
-527.370326
-527.369382
-527.417883
1.626732D-04
MUNgauss
RevisionA2.1
retrievium
03-Nov-2022
GDB_13 Smiles: CC1C(CN1N1N=CC=N1)C=C
RHF
6-31G(d)
(6D,10F)
C1
164.106196
|X|Y|Z|
42.539073 19.174887 14.117162
22.581671
9
|36.858105|
|12.589134|36.858105|
|7.181663|12.300806|36.858105|
|5.523481|9.036451|12.335765|36.858105|
|7.541135|12.934924|9.113187|12.987599|53.358707|
|5.689377|7.796597|5.714810|7.809295|18.956724|53.358707|
|4.664128|6.320832|4.926567|6.361895|11.011836|19.835786|53.358707|
|3.796113|4.570675|3.720070|4.579670|7.652712|12.558504|19.829759|36.858105|
|3.832023|4.340957|3.531112|4.333408|7.681507|12.574313|11.838410|13.602240|36.858105|
|4.770227|5.485374|4.314659|5.464448|11.145741|19.911781|11.751345|8.690418|14.558433|53.358707|
|5.231002|7.286809|12.738677|7.287794|7.589401|5.800393|5.575118|3.197437|2.932039|4.568394|36.858105|
|4.303604|5.138683|7.633762|5.119858|5.676294|4.534173|4.346293|2.619661|2.453029|3.770352|14.442522|36.858105|
|17.539745|8.871548|6.344074|4.616684|7.526628|6.045824|5.349858|3.266404|3.214240|5.159991|5.305741|4.585167|0.500000|
|17.550219|8.853212|5.355152|4.684138|9.068476|7.971934|6.593452|4.108311|4.239249|7.079974|4.183525|3.507576|0.301079|0.500000|
|17.573193|8.861249|6.642520|5.276873|9.432502|6.960136|5.519381|3.412422|3.588394|6.220064|4.719383|4.086306|0.299821|0.301156|0.500000|
|8.839184|17.532948|8.755038|7.306953|12.252534|9.973078|9.703188|4.950434|4.347147|6.912392|7.029438|4.890669|0.212053|0.211880|0.173221|0.500000|
|6.916171|8.745122|17.579223|8.746936|9.990488|6.556330|5.498785|3.227933|3.193159|5.355826|8.928998|7.241503|0.172021|0.140656|0.206123|0.173710|0.500000|
|4.605413|7.188425|8.667847|17.565045|12.160694|9.915405|9.703122|4.940538|4.326644|6.866411|6.956047|4.845149|0.111975|0.113668|0.117681|0.194626|0.173004|0.500000|
|4.548230|6.280474|8.402417|17.607135|12.058113|8.539635|6.947472|4.016783|3.983689|6.804837|5.764210|4.545799|0.107654|0.109702|0.129080|0.144433|0.213378|0.297996|0.500000|
|3.235406|3.801856|3.209415|3.811726|5.944935|8.394034|12.472746|17.818936|8.481210|8.011334|2.885526|2.405336|0.080010|0.096700|0.080930|0.117084|0.077895|0.117047|0.094376|0.500000|
|3.280050|3.546131|2.976457|3.537492|5.971995|8.404005|8.016695|8.483286|17.824691|12.472439|2.524461|2.163944|0.078062|0.101201|0.087207|0.097983|0.076646|0.097549|0.093274|0.189960|0.500000|
|4.649484|6.542418|8.682004|6.569886|7.063830|5.822984|5.998906|3.395845|2.993776|4.520815|17.648216|9.190676|0.130805|0.109157|0.112734|0.203507|0.172055|0.201967|0.142141|0.086667|0.071209|0.500000|
|4.242401|4.738675|6.905002|4.714177|5.380099|4.256193|3.964900|2.434093|2.336524|3.630981|9.082719|17.692426|0.125435|0.095182|0.117990|0.118944|0.216511|0.117943|0.122347|0.061773|0.057816|0.173730|0.500000|
|3.582310|4.150118|5.480527|4.138447|4.717323|3.953056|3.899700|2.395409|2.222124|3.337543|9.098920|17.716171|0.107355|0.084274|0.093774|0.115241|0.142886|0.114315|0.103923|0.062230|0.054963|0.219538|0.289159|0.500000|
527.052689
-2634.519952
950.647409
-72.323227
-1229.143081
701.546118
-527.596963
2.001033
402FFFFFFFFFFFFE
41A9CFE114000002
4142C5BAF745D176
40B0200000000000
C042000000000000
416BAE3600000000