Version2.5 2022-11-17T02:12:51Z 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=NC=NCC(C)(C)C2CN12 RHF 6-31G(d) (6D,7F) CC1=NC=NCC(C)(C)C2CN12 C1[X(C9H15N3)] 75 C1 210 CC1=NC=NCC(C)(C)C2CN12 CC1=NC=NCC(C2N1C2)(C)C CC1=NC=NCC(C)(C)C2CN12 InChIKey=XKQCHKBZPGTOLB-UHFFFAOYSA-N InChI=1S/C9H15N3/c1-7-11-6-10-5-9(2,3)8-4-12(7)8/h6,8H,4-5H2,1-3H3 InChI=1/C9H15N3/c1-7-11-6-10-5-9(2,3)8-4-12(7)8/h6,8H,4-5H2,1-3H3 CC1=NC=NCC(C)(C)C2CN12 C01[X(C9H15N3)] 75 C1 210 CC1=NC=NCC(C)(C)C2CN12 C[C@H]1NCNCC([C@H]2[N@@]1C2)(C)C C[C@H]1NCNCC(C)(C)[C@@H]2CN12 InChIKey=MQZKEYNDLGOLLQ-YVZVNANGSA-N InChI=1S/C9H19N3/c1-7-11-6-10-5-9(2,3)8-4-12(7)8/h7-8,10-11H,4-6H2,1-3H3/t7-,8-,12+/m0/s1 InChI=1/C9H19N3/c1-7-11-6-10-5-9(2,3)8-4-12(7)8/h7-8,10-11H,4-6H2,1-3H3/t7-,8-,12+/m0/s1 5.123586802536D+02 -2.707046839711D+03 755.5938875579 -512.819953 1-A 1889.5452 45 165 210 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -15.58734 -15.53954 -15.53132 -11.33236 -11.28729 -11.28069 -11.27553 -11.24954 -11.24010 -11.23192 -11.22228 -11.21194 -1.33277 -1.25821 -1.19231 -1.09209 -1.03175 -0.95312 -0.94333 -0.93306 -0.87300 -0.82392 -0.78850 -0.70761 -0.70183 -0.67291 -0.65038 -0.63322 -0.60752 -0.60147 -0.58054 -0.56596 -0.55518 -0.55232 -0.54312 -0.52290 -0.50519 -0.49571 -0.48616 -0.46944 -0.46190 -0.43505 -0.39552 -0.36291 -0.35102 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.15886 0.20215 0.22425 0.23940 0.26474 0.26843 0.27828 0.27996 0.29699 0.30591 0.31063 0.31495 0.32142 0.32942 0.34779 0.35250 0.36582 0.37833 0.38518 0.39585 0.40883 0.42913 0.43781 0.45732 0.47206 0.47809 0.52205 0.53323 0.59435 0.64600 0.67084 0.70645 0.71440 0.73650 0.74754 0.77452 0.78549 0.79387 0.80135 0.82814 0.85652 0.87037 0.87203 0.89396 0.90733 0.91238 0.92424 0.94141 0.96754 0.98863 0.99641 1.01086 1.03098 1.04260 1.05619 1.07079 1.07814 1.09762 1.10594 1.12649 1.13724 1.14160 1.15170 1.16047 1.16744 1.18663 1.19038 1.19712 1.20223 1.21154 1.21930 1.22418 1.23376 1.24405 1.25016 1.26529 1.28591 1.30029 1.30955 1.35704 1.38536 1.39832 1.44222 1.45419 1.51922 1.59832 1.61944 1.64460 1.67630 1.73037 1.76547 1.79751 1.80442 1.84691 1.85694 1.87634 1.90148 1.92434 1.97066 2.00124 2.03165 2.07053 2.08278 2.11409 2.13721 2.17671 2.19724 2.19893 2.22630 2.23516 2.24519 2.26404 2.27663 2.32830 2.35404 2.37014 2.40010 2.40776 2.44948 2.45671 2.50718 2.51654 2.55462 2.56861 2.58821 2.59662 2.60977 2.61845 2.62563 2.62826 2.65953 2.67530 2.69423 2.74550 2.75891 2.81056 2.83562 2.88524 2.91861 2.96251 2.98694 3.00981 3.05613 3.08554 3.09759 3.13003 3.18611 3.25685 3.31046 3.34638 3.39233 3.48368 3.68111 4.46572 4.48311 4.57318 4.60778 4.63316 4.68049 4.73083 4.80843 4.86735 4.93466 4.97161 5.19847 13.87443 0.2814 -4.1086 -0.3179 4.1305 |XX|YY|ZZ|XY|XZ|YZ| -73.3584 -76.6648 -72.9615 1.5105 -0.5607 0.7546 |XX|YY|ZZ|XY|XZ|YZ| 0.9699 -2.3366 1.3667 1.5105 -0.5607 0.7546 |XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| -3.3755 -19.8480 2.1247 -8.9819 -10.1868 -2.2677 1.3105 -0.3259 5.4793 -7.3013 |XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY| -1400.8812 -829.6531 -336.4202 33.9444 -5.7617 -18.1879 0.7737 4.0572 -1.5775 -384.9023 -290.4270 -184.0080 -0.0361 -12.0304 2.6914 0 |0.59662928|0.00792579|0.68654818|0.02190813|-0.03362577|0.60174759|-0.17036619|0.00888673|0.07293349|0.52624269|0.01308576|-0.09865937|-0.01304310|-0.21351783|0.93181136|0.07517605|-0.00909297|-0.17718900|-0.23382286|0.00823194|0.50437714|-0.01374278|0.03330123|0.00499025|-0.20303062|0.22168554|0.06504654|0.43151226|0.00727743|-0.01678834|-0.01154252|0.20524167|-0.55167597|-0.06476238|-0.28393848|0.74369000|0.01487174|-0.03142921|-0.00104542|0.06702690|-0.07492263|-0.11758806|-0.21822734|0.11959486|0.30256221|0.01145318|0.00144692|0.00951561|-0.01834696|0.04093738|0.01648640|-0.18685548|0.02618568|0.07145083|0.93626593|0.00377712|-0.00069896|0.00580326|0.04024192|-0.02284258|-0.03727578|0.00204324|-0.11946775|-0.03229112|0.26751032|0.57172031|0.00845489|0.00366213|0.00930976|0.01073353|-0.03332322|-0.00821752|0.09167663|-0.04648263|-0.19862829|-0.07194109|0.23551797|0.52345764|0.00000121|0.00274608|0.00020620|0.00461162|-0.03252492|-0.00100802|-0.05956135|0.00032995|0.04927453|-0.63199013|-0.21575389|0.05309094|0.82122717|-0.00004463|0.00057358|-0.00033535|-0.00449429|-0.00945178|0.00256023|-0.00582256|0.04151495|0.00108602|-0.24306520|-0.20231509|-0.01303007|0.31872714|0.38470107|-0.00260413|-0.00253344|-0.00291396|0.00033972|0.01454985|-0.00698984|0.05147899|-0.00969110|0.01205561|0.01858409|-0.02370376|-0.11575950|-0.01661817|0.12834257|0.29984493|0.00033267|-0.00082480|0.00030288|-0.00608726|0.00559181|-0.00154247|0.00306796|-0.00211760|-0.00680014|-0.02884328|-0.04067676|-0.02945827|-0.11239277|-0.01384805|-0.01508441|0.70569778|-0.00046028|-0.00075303|0.00001001|0.00070922|0.00806055|-0.00099396|0.01184870|-0.01026493|-0.00182901|-0.02213144|-0.01587072|-0.01407749|-0.04430598|-0.16231136|-0.06184724|0.01232982|0.51581199|0.00023653|-0.00009281|0.00024404|0.00024611|0.00404263|0.00436739|0.00340067|0.00327273|-0.01495956|-0.00919754|-0.00094685|0.00615259|-0.04643507|-0.08490543|-0.17708325|-0.02584056|0.00219793|0.63341716|0.00004573|0.00098229|-0.00013499|0.00194052|-0.00634931|0.00191737|-0.00200948|0.00273569|0.00038935|0.00175927|-0.00260555|-0.00286069|-0.00088158|-0.01531864|0.00642873|-0.09416581|0.01071336|-0.00395878|0.54905432|-0.00000376|-0.00008253|0.00028523|0.00003414|0.00918846|-0.00587508|0.00244344|-0.00485799|0.00078114|0.00272317|-0.00070541|0.00086333|-0.00387714|-0.03126945|-0.00165098|0.01309983|-0.17137148|0.03981576|0.00386998|0.55252484|0.00003509|0.00054295|-0.00010421|-0.00019915|-0.00492916|0.00241015|-0.00216185|0.00192593|0.00421511|0.00447793|-0.00287897|-0.00484935|-0.00041857|-0.02709626|0.01189649|-0.00518909|0.03483639|-0.10799252|0.00795616|-0.00278606|0.58091545|-0.00000662|-0.00028685|0.00010456|0.00023824|0.00262872|-0.00111126|0.00087602|-0.00136824|-0.00055326|-0.00136165|0.00013201|0.00084074|0.00070463|0.00034478|-0.00006266|0.00333918|-0.00361631|-0.00138718|-0.13254041|-0.00940451|0.05335012|0.62048670|0.00000968|0.00004792|-0.00006260|0.00029341|-0.00113603|0.00043589|-0.00049752|0.00043357|-0.00041999|-0.00003006|0.00015597|0.00040320|-0.00059938|0.00087436|-0.00004412|-0.02243548|-0.00767524|0.03476931|-0.00978999|-0.09682824|0.01277654|-0.01016346|0.65681116|-0.00003119|-0.00026669|0.00007723|0.00025077|0.00248108|-0.00104609|0.00082486|-0.00147524|-0.00017011|-0.00098188|-0.00017598|0.00004980|0.00061223|0.00113760|-0.00082139|0.00802320|0.00927483|-0.01338009|0.05257926|0.01088181|-0.16358502|0.06345266|0.02011157|0.58984170|-0.00004395|-0.00023451|0.00012197|-0.00025907|0.00392491|-0.00199783|0.00093674|-0.00192996|-0.00066784|-0.00126135|0.00033914|0.00112473|0.00075163|0.00175702|-0.00083558|0.00280130|-0.00098955|0.00296083|-0.10188898|-0.01983761|-0.02263115|0.00743631|0.01589495|0.01747831|0.64353803|-0.00006804|0.00022115|-0.00016292|0.00030666|-0.00317426|0.00069552|-0.00123426|0.00133202|0.00175815|0.00275093|-0.00077514|-0.00216944|-0.00063276|-0.00705590|0.00338941|-0.01041805|-0.03097937|-0.02906487|-0.01823064|-0.13919018|-0.05226686|0.00304646|0.00461709|0.00056628|-0.02567166|0.61604527|-0.00000119|0.00010370|0.00010994|-0.00014310|0.00145840|0.00025932|0.00095609|-0.00068464|-0.00137247|-0.00175088|0.00038204|0.00167215|0.00081792|0.00439936|-0.00164417|0.00373538|0.00248990|0.01036698|-0.01968931|-0.05220928|-0.15275820|-0.00434050|-0.02308752|-0.03153750|-0.02892938|-0.05393513|0.59511387|0.00112433|0.00274732|-0.00228400|0.00262455|-0.01330597|-0.00729454|-0.00097605|0.00470480|0.00255152|0.00467223|-0.00290458|-0.00378839|-0.00540307|-0.00118978|-0.00107301|-0.00569714|0.01351022|-0.00126517|-0.17256934|0.01880328|-0.03317965|-0.03271723|0.00318576|-0.00128631|-0.01340809|-0.00201054|-0.00834874|0.64485584|0.00135016|0.00060350|-0.00053292|-0.02654507|-0.01518690|0.00408109|0.00336848|0.00726446|0.00278667|0.00235473|-0.00418374|-0.00400892|-0.00039794|0.00028167|0.00110267|0.03769679|-0.00443987|0.00955362|0.01864766|-0.09574182|0.01170093|-0.00540157|0.00108749|-0.00236681|-0.02003014|0.00511049|-0.00340416|-0.05475934|0.33986611|0.00151969|0.00690383|-0.00017478|0.02116884|0.00541828|-0.02564797|-0.00105014|-0.00899029|-0.00021071|-0.00225671|0.00118805|0.00334681|0.00301172|-0.00125754|-0.00025848|-0.01358544|0.00228064|-0.00436013|-0.04102054|0.00957202|-0.11384393|0.02644382|-0.00495154|0.00920458|-0.02688628|0.00574699|-0.00817073|-0.06378653|-0.05172635|0.72664914|0.00052589|0.00032521|0.00145600|-0.01561033|-0.00194575|-0.00670137|0.00588243|0.00320743|0.00130333|-0.00029782|-0.00037024|-0.00069610|0.00027426|-0.00079438|0.00032882|-0.00242288|-0.00064393|-0.00014395|-0.01208512|0.02056569|0.01337222|-0.00293394|0.00081294|-0.00176723|0.00114694|0.00092279|0.00006521|-0.15723228|0.07205867|0.06680440|0.47242476|0.00215684|0.00448779|0.00079319|-0.00284898|-0.03410169|-0.00961806|-0.00406689|0.00855880|0.00352456|0.00367160|-0.00027437|-0.00418851|-0.00191132|-0.00114913|0.00216016|0.00288263|0.00004494|-0.00033759|-0.00286014|-0.00487210|0.00084966|-0.00099454|-0.00019437|-0.00022840|-0.00041851|-0.00078237|0.00066404|0.11079591|-0.06869053|-0.07206273|-0.18833930|0.62331477|-0.00033462|-0.00040245|-0.00048508|-0.01305868|0.02721877|0.00788382|0.00429299|0.00378192|-0.00197417|0.00015894|-0.00012258|0.00046480|-0.00027902|-0.00058893|-0.00041797|-0.00434004|0.00022332|-0.00056336|0.00055911|0.01577960|0.00750186|-0.00063368|-0.00022865|-0.00081525|-0.00083427|-0.00056114|0.00185310|0.07075709|-0.04482738|-0.13731513|0.10808153|0.07748360|0.70570748|-0.00137661|-0.02840074|0.02455901|-0.11150321|-0.02413450|0.07559523|0.02594616|0.01832626|-0.00603834|-0.00573389|0.00140268|-0.00356678|0.00389959|0.00042719|0.00112105|0.00225278|-0.00372753|-0.00052271|-0.01630967|-0.02693096|0.01280772|-0.00514097|0.00083816|-0.00442699|-0.00375604|0.00149910|0.00033888|-0.21008435|-0.04854037|0.04066419|-0.02388721|-0.03461810|-0.00727346|0.34598295|-0.00234112|-0.00286613|0.00738784|-0.01921672|-0.22333150|0.11917700|0.01937010|-0.09561633|0.02570113|-0.02813868|0.00449221|0.02309502|0.01526557|0.00435038|-0.00534519|-0.00706598|-0.00566909|-0.00303624|0.00910499|0.00334302|-0.00655395|0.00189228|-0.00040165|-0.00040304|-0.00414610|0.00170862|-0.00076940|-0.08745404|-0.08888082|0.07323417|-0.00992594|-0.29374687|-0.07854094|0.13506109|0.74900755|0.01285768|0.02748025|-0.01561227|0.06018381|0.06347703|-0.16443298|-0.00675492|0.03972167|0.02657870|0.00797002|-0.00532431|-0.01492661|-0.00924857|-0.00223914|0.00652821|0.00372940|0.00269435|0.00161701|-0.00226937|-0.00672010|0.00160177|0.00062248|-0.00011589|0.00044565|0.00090954|-0.00063537|0.00008017|0.06990859|0.05081128|-0.07256032|-0.01128024|-0.02340982|-0.09144297|-0.16052950|-0.14647490|0.31597651|-0.07598364|-0.05673240|0.02834883|-0.00557476|-0.02708738|0.01001710|0.00160171|0.00014182|-0.00208917|-0.00039029|0.00036937|0.00007648|0.00048779|-0.00000242|-0.00014076|-0.00015006|-0.00013098|0.00000235|0.00020162|-0.00000126|-0.00000126|-0.00004255|0.00002245|-0.00004045|-0.00004480|0.00005515|-0.00002249|0.00108385|0.00026980|0.00158022|0.00014415|0.00104034|-0.00048891|-0.00405514|0.00012364|0.00422941|0.07549335|-0.06395446|-0.29408759|0.11807282|0.00314136|0.00551602|-0.00445414|0.00089582|0.00078842|-0.00162095|0.00011540|0.00046224|-0.00009531|0.00000944|-0.00006140|-0.00004282|-0.00002223|0.00004471|0.00004931|0.00006577|-0.00004893|0.00004503|-0.00002058|0.00002199|-0.00001993|-0.00000043|0.00001720|-0.00003162|0.00005281|0.00002440|-0.00013815|-0.00013301|0.00029221|0.00004654|0.00112733|0.00025051|-0.00128593|0.06586960|0.31307796|0.02999645|0.11071300|-0.11422283|0.00368911|0.02755110|-0.01225954|-0.00243481|-0.00019339|0.00210454|0.00020698|-0.00054243|-0.00014595|-0.00061783|0.00002614|0.00017455|0.00010677|0.00013400|0.00004157|-0.00017121|0.00011267|-0.00017506|0.00008765|-0.00000921|0.00008730|0.00008815|-0.00005203|-0.00005141|-0.00063966|-0.00068795|-0.00089020|-0.00100015|-0.00104658|0.00020882|0.00714389|0.00016305|-0.00346181|-0.03541312|-0.12431790|0.11960538|-0.25396352|0.09539977|-0.09236795|-0.01912477|0.01105227|-0.01457440|-0.00375284|0.00059559|0.00368406|0.00243061|0.00089210|0.00066522|-0.00075428|-0.00017367|-0.00001546|0.00031429|0.00016972|0.00004785|-0.00011628|0.00018597|-0.00030627|0.00011110|-0.00004070|0.00007678|0.00007605|-0.00008278|0.00000127|0.00047376|-0.00016536|0.00037786|-0.00050497|-0.00074081|-0.00054095|0.00224698|0.00063174|0.00082938|0.01113824|-0.00316101|0.00418429|0.27232023|0.09767165|-0.10648859|0.05091213|0.00460907|-0.00459069|0.00206027|0.00236481|-0.00000437|-0.00181759|-0.00100136|0.00011180|-0.00053227|0.00038469|-0.00008036|0.00010170|-0.00003922|0.00000739|-0.00010210|-0.00003207|-0.00014704|0.00007364|-0.00001125|0.00000940|0.00000117|-0.00001309|0.00002300|-0.00007209|-0.00003207|0.00043503|-0.00038866|0.00011357|0.00007728|-0.00007937|-0.00139203|-0.00022255|0.00081129|0.02788961|-0.00961313|0.01131255|-0.10906371|0.10882414|-0.09367803|0.05141483|-0.10378785|0.02495070|-0.01189870|0.01623119|0.00342604|-0.00087038|-0.00324951|-0.00230729|-0.00127393|-0.00162539|0.00035521|0.00013605|0.00040190|-0.00012575|-0.00003685|-0.00017520|0.00001850|-0.00006658|0.00006891|-0.00001775|0.00001725|-0.00001036|0.00002856|0.00004559|-0.00006682|-0.00002565|-0.00009180|0.00017304|0.00026653|0.00013380|0.00023269|-0.00163197|-0.00050324|-0.00078357|-0.01257614|0.00409428|-0.00610509|0.10272196|-0.05313351|0.10892391|-0.09228420|-0.06601460|-0.06752600|0.01433125|0.01904031|0.01993493|-0.00259898|0.00282018|0.00269017|-0.00193032|-0.00088462|-0.00260824|-0.00072199|-0.00009129|0.00101549|0.00012296|0.00022243|0.00031800|-0.00002942|0.00002925|-0.00006759|-0.00000242|-0.00000326|0.00001007|-0.00008790|-0.00004082|0.00017259|-0.00012853|-0.00046082|-0.00031874|-0.00063389|-0.00071311|0.00074826|0.00015432|0.00001535|-0.00198518|-0.00353992|-0.00406292|-0.00568553|-0.01016212|-0.02161768|-0.02192428|0.09714013|-0.06677521|-0.16940394|-0.12410743|-0.00071363|-0.00518848|-0.00262042|0.00175387|-0.00030968|-0.00210817|0.00019835|0.00059448|0.00080145|0.00069418|0.00001679|-0.00017948|-0.00001375|-0.00019278|-0.00035653|-0.00005908|-0.00008556|-0.00003461|0.00002134|-0.00000735|0.00001267|0.00001522|0.00002337|-0.00010271|-0.00013332|-0.00025312|-0.00002800|-0.00060184|0.00002646|0.00084647|0.00032327|-0.00019754|0.00010038|-0.01126451|-0.01702973|-0.02396329|0.00476501|0.01172964|0.01207767|0.07204866|0.18017871|-0.06867870|-0.12304198|-0.19669382|-0.01401260|-0.01678958|-0.01602860|0.00282867|-0.00173930|-0.00272214|0.00063373|0.00049373|0.00209425|0.00089738|0.00022488|-0.00067656|-0.00014892|-0.00029140|-0.00035078|0.00016720|0.00003460|0.00012127|-0.00002145|0.00003457|-0.00001562|0.00007905|0.00005726|-0.00021220|0.00005035|-0.00039135|0.00080939|-0.00053748|0.00048272|-0.00081511|0.00183204|0.00050351|0.00003437|0.00640734|0.00949010|0.01485038|-0.00523848|-0.00904625|-0.00994581|0.07542405|0.13892366|0.20854447|-0.00171853|0.00034799|-0.00164542|-0.00043075|-0.00495736|0.00540821|0.00572056|0.02219005|0.02419051|-0.07852228|-0.05395236|-0.04933109|-0.02338064|-0.03253700|-0.02674207|-0.00028987|-0.00461488|0.00540938|-0.00089534|-0.00053374|-0.00186045|0.00013568|-0.00004481|-0.00010280|0.00027600|-0.00077557|0.00051817|-0.00047380|-0.00034848|0.00026687|0.00003866|-0.00038974|0.00005367|0.00085764|0.00227634|-0.00204244|0.00000962|-0.00002808|0.00005513|-0.00049937|0.00015011|0.00049463|0.00019767|-0.00003711|-0.00006544|0.09879347|0.00091092|-0.00035959|0.00064999|-0.00094061|0.00666696|-0.00211853|0.00048180|-0.00251632|-0.01127482|-0.05724127|-0.21097659|-0.14039911|-0.01065180|-0.01208323|-0.00436937|-0.00460221|0.00979604|-0.00631110|0.00052192|0.00138721|0.00161433|-0.00000743|-0.00013121|0.00012807|-0.00013178|0.00036791|-0.00023889|0.00016875|0.00010036|-0.00014550|-0.00018569|0.00004966|-0.00001456|-0.00063610|-0.00119696|0.00101439|-0.00007061|-0.00000240|0.00002242|0.00017868|-0.00010620|-0.00023849|-0.00008122|0.00000619|0.00000305|0.07348697|0.21124570|0.00080773|-0.00074007|0.00091469|0.00091723|0.00197205|-0.00560970|0.00372516|-0.02608489|-0.01359508|-0.05221542|-0.13627232|-0.19263251|-0.00428055|0.00547015|0.00601657|0.00439337|-0.00619768|0.00855435|-0.00041503|-0.00144160|-0.00151714|-0.00001559|0.00006727|-0.00019562|0.00011207|-0.00043002|0.00027116|-0.00013502|0.00011407|-0.00056545|0.00010026|0.00029874|0.00007341|-0.00011656|-0.00158842|0.00129243|-0.00001629|0.00003517|-0.00002493|0.00034803|-0.00012157|-0.00034008|-0.00000817|-0.00003316|-0.00006441|0.04595375|0.16350524|0.19581190|0.00005144|0.00007714|-0.00003445|0.00058935|-0.00141092|-0.00006279|-0.00123089|0.00068748|0.00001179|0.00150231|0.00001450|-0.00270109|-0.01034236|-0.00579881|-0.00491091|-0.33046106|0.04524609|-0.03583978|-0.00656493|0.00072950|-0.00067375|0.00017965|-0.00127051|0.00080371|-0.00048901|-0.00039177|-0.00008792|0.00116903|0.00048169|0.00046403|-0.00009932|-0.00005934|-0.00013796|0.00042346|0.00056612|-0.00046177|-0.00000176|-0.00001751|-0.00000140|-0.00005992|0.00002389|0.00002854|-0.00000977|0.00002129|0.00003778|-0.00042909|-0.00057640|0.00023124|0.35897298|-0.00000939|0.00024012|-0.00010862|0.00030205|-0.00224511|0.00032513|-0.00121666|0.00130129|0.00071502|-0.00069315|-0.00271649|-0.00461259|-0.03448598|-0.00021925|-0.01081499|0.04740802|-0.06279291|0.00928964|0.03603347|-0.00762195|0.00615239|0.00121467|0.00158782|-0.00072188|0.00093157|0.00108888|0.00036247|-0.00122626|-0.00701965|0.00185601|0.00069209|-0.00069080|0.00116376|-0.00039243|0.00215957|-0.00087536|0.00005639|0.00000443|-0.00005645|-0.00007192|0.00000231|0.00003009|-0.00001919|0.00001381|0.00005193|-0.00027813|-0.00124411|0.00080037|-0.04218988|0.07674638|-0.00006824|0.00002115|0.00008546|-0.00023113|0.00082104|-0.00000723|0.00090861|0.00045274|0.00159578|-0.00032654|-0.00341652|-0.00475779|-0.03164015|-0.00088472|-0.00654157|-0.02897111|0.00615019|-0.06729620|-0.01503423|0.00496831|-0.00273818|-0.00136224|-0.00020192|0.00001657|0.00029679|-0.00073647|-0.00011719|0.00009686|0.00298341|-0.00011530|-0.00038399|0.00038209|-0.00059120|0.00029123|-0.00031880|0.00000774|0.00000031|0.00000090|0.00000517|0.00001951|0.00000569|0.00000085|-0.00008025|0.00003930|0.00004032|-0.00026366|-0.00122186|0.00087044|0.04379940|-0.00265821|0.07222104|-0.00006272|-0.00000119|0.00005847|-0.00299672|-0.00001462|-0.00107913|-0.00271376|-0.00056518|-0.00232987|-0.00025261|-0.00045433|-0.00234263|0.01024721|0.00290744|-0.01107648|-0.12756346|-0.01468489|0.11278251|0.00326183|0.00168288|-0.00586829|0.00001764|0.00058935|-0.00007503|-0.00002954|-0.00040658|0.00033491|0.00056497|-0.00065093|-0.00027272|0.00010991|0.00005843|0.00014154|0.00004573|-0.00056021|0.00065433|0.00002104|0.00000691|-0.00003103|0.00002876|0.00001049|-0.00001054|0.00000484|0.00000275|-0.00000086|0.00040662|-0.00069032|0.00086625|-0.01626273|-0.00538115|0.03238231|0.13368287|0.00000843|0.00013989|-0.00009062|-0.00024394|0.00024718|0.00002208|-0.00174767|0.00104535|0.00128901|0.00498102|0.00200673|-0.00311292|0.00689624|-0.00345645|-0.03177502|-0.01340592|-0.06393930|0.02884414|-0.01896715|-0.00414728|0.02992668|0.00239517|-0.00750192|0.00139905|-0.00058130|0.00129380|0.00169612|-0.00134962|0.00070165|-0.00031613|0.00002631|-0.00002649|0.00017591|0.00080746|0.00029320|-0.00006055|-0.00001696|-0.00002223|-0.00004059|-0.00004511|0.00000758|0.00002649|0.00006292|0.00001730|-0.00002513|0.00013551|-0.00091291|0.00086200|0.00347598|0.00222354|-0.00640413|0.01854590|0.07266096|-0.00007806|0.00016540|0.00014510|-0.00134195|0.00059081|0.00038660|-0.00062389|0.00234829|0.00469948|0.00818208|0.00061578|-0.00352264|0.00395872|-0.00921232|-0.02843432|0.10834634|0.02721321|-0.26840495|0.00770120|0.00137681|-0.01180132|-0.00146198|0.00265540|0.00041981|0.00000633|-0.00189035|0.00035661|0.00054562|0.00010416|-0.00015879|-0.00008078|0.00027079|-0.00022375|-0.00015038|0.00004563|-0.00005632|0.00000562|-0.00000240|-0.00000566|0.00001701|0.00000356|0.00000948|-0.00015318|0.00006999|0.00010716|-0.00031700|-0.00070087|0.00065829|-0.00082399|-0.00057518|0.00686391|-0.12341405|-0.02298797|0.29718092|-0.00000496|-0.00016612|0.00006079|0.00002672|0.00155845|-0.00062097|0.00037208|-0.00070952|-0.00011949|-0.00025345|0.00020915|0.00028175|0.00053286|-0.00030616|0.00028002|-0.00062406|0.00112665|-0.00158473|-0.02071536|0.00313313|-0.00827711|-0.31921633|0.03388085|-0.07280360|-0.00006845|-0.00013487|-0.00176662|-0.00141792|-0.00086956|0.00394538|-0.00052295|-0.00019809|-0.00020513|-0.00140738|-0.00030561|0.00063821|-0.00003731|-0.00001842|0.00005191|0.00004303|0.00000202|-0.00001129|-0.00000180|0.00001090|-0.00001509|0.00005780|0.00002000|-0.00004281|0.00115119|-0.00084719|0.00046084|0.00061633|-0.00008666|0.00014181|0.34687650|-0.00000462|0.00002512|-0.00000385|0.00008088|0.00006066|-0.00004923|0.00011148|-0.00000240|-0.00005131|-0.00000885|-0.00003271|-0.00001908|0.00031667|-0.00028825|0.00016893|-0.00137827|0.00024387|-0.00039850|-0.00547091|-0.00019785|-0.00175650|0.03494498|-0.06433786|0.00965828|0.00062964|-0.00015569|-0.00024560|-0.00053991|0.00084104|0.00131810|-0.00032303|-0.00006241|-0.00000434|-0.00020931|0.00026874|-0.00012652|0.00000323|-0.00000400|-0.00000790|0.00000504|-0.00000191|0.00000200|0.00000032|-0.00000271|-0.00000915|0.00002225|0.00001657|0.00000617|-0.00018701|-0.00023888|0.00056616|0.00011509|0.00007698|-0.00005228|-0.03822837|0.06124316|-0.00000823|0.00004741|-0.00002743|-0.00015232|-0.00067711|0.00033605|-0.00021484|0.00038246|0.00010707|0.00036634|-0.00006145|-0.00024152|-0.00027043|-0.00032050|0.00011047|0.00043654|-0.00078153|0.00137946|0.02871732|-0.00410983|0.00809515|-0.07709066|0.01007417|-0.08100408|0.00080091|0.00001219|0.00125931|0.00222955|0.00161315|-0.00525843|0.00082131|0.00016487|0.00041109|0.00162912|-0.00048336|0.00022580|0.00000713|0.00000395|-0.00002192|-0.00002729|0.00000661|0.00000180|-0.00000119|-0.00000569|0.00000136|-0.00000948|-0.00001033|0.00004020|-0.00023365|0.00043749|-0.00016389|-0.00017927|-0.00030653|0.00010960|0.08097144|-0.01230455|0.08496143|0.00000702|0.00007550|-0.00003831|0.00022284|-0.00067744|0.00025105|-0.00028261|0.00036172|0.00005492|0.00038039|0.00000881|-0.00015997|0.00001442|-0.00000703|0.00008927|-0.00338795|0.00069634|0.00376597|0.00224170|-0.02270753|0.00751717|-0.06359332|0.02960679|-0.01173486|0.00040424|-0.00021008|-0.00130485|0.00082151|-0.00149721|0.00049139|-0.00008358|0.00001991|0.00014555|0.00039285|0.00072420|-0.00059267|0.00001820|0.00000426|-0.00001930|-0.00002389|0.00000237|0.00000719|-0.00000063|-0.00000373|0.00001062|-0.00003926|-0.00001998|0.00001265|0.00054555|-0.00013168|0.00019195|0.00058115|-0.00140427|0.00054790|-0.00157615|0.03489834|-0.01207923|0.06304741|0.00001296|0.00013143|-0.00003631|0.00038204|-0.00119053|0.00016349|-0.00082426|0.00064498|0.00039599|0.00104158|0.00016061|-0.00033789|-0.00073409|-0.00049512|0.00055158|-0.00091634|0.00129918|0.00070141|0.00126131|-0.00474843|0.00010794|0.02758472|-0.30194471|0.09124669|0.00002936|0.00022314|-0.00064177|0.00066715|0.00012576|0.00127355|-0.00028619|-0.00015204|-0.00001265|0.00004481|0.00114826|-0.00093122|0.00002778|-0.00000114|-0.00002385|-0.00003880|0.00000930|0.00001277|-0.00001242|0.00000490|0.00002750|-0.00007212|-0.00007092|0.00002586|-0.00006583|0.00023087|-0.00023032|-0.00007162|-0.00042746|0.00018003|0.00124931|-0.00262216|0.00070809|-0.03193809|0.32725967|0.00001735|-0.00004998|0.00005042|-0.00036112|0.00055624|-0.00014571|0.00022158|-0.00016496|-0.00003066|-0.00016190|0.00009156|0.00029012|-0.00001269|-0.00060860|0.00059030|0.00424515|-0.00089565|-0.00589272|-0.00496074|0.02866838|-0.00957946|-0.01054932|0.08956768|-0.09368525|-0.00082033|0.00144916|0.00147488|-0.00136793|0.00002140|-0.00013634|0.00027240|0.00000348|-0.00001337|-0.00008805|-0.00058621|0.00044622|-0.00001670|-0.00000139|0.00001304|0.00002576|-0.00000668|-0.00000878|-0.00000869|0.00000695|-0.00000487|0.00010849|0.00000898|0.00002353|0.00017161|-0.00050575|0.00017881|0.00002988|0.00205881|-0.00060841|-0.00086584|0.00941373|-0.00390591|0.00937850|-0.10185168|0.09768268|0.00000835|0.00004040|0.00000335|-0.00000748|-0.00014297|0.00012480|0.00005925|-0.00001392|-0.00011207|-0.00039315|-0.00007920|0.00019604|-0.00026249|-0.00038153|0.00029815|0.00081309|0.00020365|-0.00101433|0.00498734|0.01661258|0.01647176|-0.07410518|-0.04111967|-0.04770812|-0.00328637|-0.00133231|0.00325236|0.00122293|0.00096646|0.00115165|0.00024405|-0.00003218|-0.00013595|0.00006919|-0.00004104|-0.00016811|0.00000705|0.00000332|-0.00001234|-0.00000400|-0.00000515|-0.00000211|0.00000478|-0.00000908|-0.00000869|-0.00001933|-0.00001036|-0.00001567|0.00004458|-0.00020974|-0.00003465|-0.00007115|0.00020027|-0.00010336|-0.00583650|-0.02476801|-0.02604980|0.00048324|0.00334213|0.00441973|0.07529987|-0.00001313|-0.00006425|0.00002625|-0.00014157|0.00068134|-0.00012000|0.00039113|-0.00032237|-0.00031577|-0.00061713|-0.00008228|0.00040160|-0.00049212|-0.00127644|0.00102850|0.00061847|0.00041396|-0.00017227|0.00169182|0.00506546|0.00572200|-0.03987032|-0.18433816|-0.14119246|-0.00055782|0.00007843|0.00099750|0.00000628|0.00041366|-0.00077710|0.00004806|0.00004059|0.00024030|-0.00004283|-0.00045436|0.00047253|-0.00001609|-0.00000227|0.00001055|0.00001896|-0.00000545|-0.00000767|0.00000369|-0.00000788|-0.00001642|0.00002444|0.00001028|0.00000362|0.00009937|-0.00006350|-0.00001973|0.00000062|0.00015715|-0.00022118|0.00066416|0.00515781|0.00577265|-0.00794045|-0.02091627|-0.02557361|0.04596168|0.19493300|0.00000804|0.00005678|-0.00001704|0.00002676|-0.00096805|0.00016277|-0.00089479|0.00083115|0.00044210|0.00134901|0.00029067|-0.00015013|-0.00069478|-0.00074848|0.00109642|-0.00075348|-0.00131740|-0.00004203|-0.00816003|-0.01969677|-0.02054021|-0.04467950|-0.13728390|-0.21395588|0.00505211|0.00246825|-0.00442917|-0.00186048|0.00066059|-0.00014143|-0.00006800|-0.00018502|0.00019274|0.00055455|0.00060529|-0.00010528|0.00001055|-0.00000026|-0.00000765|-0.00002382|0.00001279|0.00001532|-0.00004393|0.00002173|0.00004861|0.00004923|-0.00012223|0.00010136|-0.00003415|0.00017205|-0.00012010|-0.00002749|-0.00006254|0.00016860|-0.00207884|-0.00558109|-0.00637916|0.00389730|0.00921355|0.01293181|0.04824043|0.15301065|0.23057057|0.00000432|-0.00008517|0.00006895|0.00007908|0.00146235|-0.00056595|0.00037921|-0.00081570|-0.00015219|-0.00045892|0.00029575|0.00050695|0.00098141|-0.00024488|0.00007487|-0.00084414|0.00086465|0.00002756|-0.01019396|0.00249798|-0.00125626|-0.00001642|0.00062795|0.00127595|-0.32305592|0.04197469|-0.06248938|0.00090600|-0.00102366|-0.00096315|0.00061426|0.00038442|0.00012244|-0.00090137|-0.00140888|0.00036294|-0.00003915|-0.00002909|0.00001982|0.00002191|-0.00000442|-0.00001070|0.00002466|0.00000005|-0.00005588|0.00006086|0.00005692|-0.00008459|0.00092526|-0.00053461|0.00019210|-0.00009323|-0.00010704|-0.00004913|0.00118868|0.00014532|0.00007900|0.00005766|-0.00010741|-0.00002228|0.00049104|-0.00015772|0.00008589|0.35033704|-0.00001018|-0.00003576|0.00003321|0.00005580|0.00080471|-0.00007404|0.00020316|-0.00031808|-0.00026841|-0.00028778|0.00005354|0.00031444|0.00049193|0.00035581|0.00005191|-0.00112359|0.00057696|-0.00004357|-0.02366215|0.00392103|-0.00496226|-0.00025915|0.00059343|0.00102555|0.04389797|-0.06692850|0.01092154|0.00008625|-0.00276481|-0.00405675|0.00012198|0.00043441|-0.00011907|-0.00035625|-0.00014041|0.00030722|-0.00001380|-0.00000162|0.00001328|0.00001002|-0.00001086|-0.00000315|0.00000136|-0.00001273|-0.00000493|0.00009071|-0.00000337|0.00001990|0.00012873|-0.00074322|-0.00038260|0.00002641|-0.00007358|0.00017430|0.00025860|0.00023663|-0.00021780|0.00019723|0.00001057|-0.00003111|-0.00009810|-0.00012308|0.00028626|-0.04803709|0.06684690|0.00000690|-0.00009730|0.00003461|-0.00013086|0.00108396|-0.00061197|0.00022520|-0.00049331|-0.00011033|-0.00023272|0.00015870|0.00027511|0.00056634|0.00021233|-0.00013374|-0.00043778|0.00111134|0.00037350|-0.02701319|0.00530086|-0.00629600|-0.00143326|0.00087830|0.00081821|-0.05994859|0.01033860|-0.07310812|-0.00045574|-0.00385159|-0.00344074|0.00120747|-0.00034665|-0.00060688|-0.00130806|-0.00119362|0.00011028|-0.00000931|0.00000576|0.00004167|0.00002838|0.00000651|0.00000040|-0.00003811|0.00000414|0.00004946|0.00005861|-0.00000002|-0.00000727|0.00046539|-0.00044162|0.00044875|0.00016348|-0.00014365|0.00005595|0.00069213|-0.00047207|-0.00074509|0.00008925|-0.00001370|-0.00014282|0.00027160|-0.00002671|0.00039575|0.06807127|-0.00816877|0.07569625|-0.00002555|0.00002908|-0.00003858|-0.00002725|-0.00051752|0.00024147|-0.00006931|0.00021379|-0.00007706|0.00003514|-0.00000958|0.00002857|0.00006758|0.00024835|-0.00040707|-0.00005368|0.00020272|0.00059316|0.00667826|0.00248580|-0.00988046|-0.00049902|-0.00109229|-0.00120069|-0.14159653|-0.02235845|0.12728107|0.00052639|0.00076831|0.00029872|-0.00144963|0.00061826|0.00002856|0.00044787|0.00025948|0.00004240|0.00002502|0.00001681|-0.00000117|-0.00000529|0.00000156|0.00000160|-0.00001006|-0.00001653|0.00002639|0.00000638|-0.00002554|0.00003402|0.00009065|-0.00009282|0.00012293|0.00037675|0.00021179|-0.00030212|0.00064335|-0.00016784|-0.00016543|-0.00013584|-0.00010227|0.00005544|0.00075109|-0.00016973|-0.00031521|-0.01851427|-0.00644697|0.03121977|0.15224610|-0.00000483|-0.00004676|0.00002031|-0.00019862|0.00027146|-0.00024341|0.00019720|-0.00017724|0.00003915|-0.00017306|0.00003132|0.00004396|0.00004987|0.00021152|0.00028560|0.00098636|0.00116482|-0.00111631|0.01516107|0.00432630|-0.01818159|-0.00190004|-0.00358843|-0.00303801|-0.02277777|-0.06593385|0.03456842|0.00050639|0.00038151|0.00060270|-0.00029896|0.00031352|0.00071525|-0.00011882|-0.00022534|0.00004844|-0.00000852|-0.00000710|0.00000415|0.00003356|0.00000828|0.00001220|-0.00003712|0.00003949|0.00001357|0.00004428|0.00001904|-0.00000149|0.00002620|-0.00013197|0.00000840|-0.00030809|-0.00073838|0.00000115|-0.00012891|-0.00011420|0.00022255|-0.00007563|0.00038084|-0.00031886|0.00068024|0.00053387|-0.00145222|0.00327043|0.00076500|-0.00595082|0.02571748|0.06550105|0.00000431|-0.00005187|-0.00001991|-0.00028054|-0.00064117|-0.00005833|-0.00027245|0.00042800|0.00031841|0.00042379|-0.00017520|-0.00053506|-0.00078939|-0.00010037|0.00097060|0.00056983|0.00226845|-0.00026469|0.01651546|0.00621777|-0.02057248|-0.00345540|-0.00531710|-0.00358781|0.12548515|0.03324490|-0.25409395|0.00120925|-0.00015616|0.00023599|0.00006380|-0.00066539|-0.00085926|-0.00015573|0.00025413|0.00005422|0.00001944|0.00002759|0.00002201|0.00001853|0.00001761|0.00001484|-0.00008506|0.00003252|0.00011766|-0.00002381|0.00003114|0.00000789|-0.00016235|-0.00002922|0.00007205|-0.00031986|-0.00067195|0.00136314|0.00009730|0.00002689|0.00037605|-0.00021179|0.00008892|0.00040867|0.00135354|0.00032364|-0.00159522|-0.00394897|-0.00188167|0.00913473|-0.14066080|-0.03593613|0.27464117|-0.00000362|0.00006913|-0.00002363|0.00015338|-0.00065020|0.00038026|-0.00030195|0.00037227|0.00025614|0.00050078|0.00002210|-0.00021020|0.00042392|-0.00088747|-0.00000015|-0.00101630|-0.00094333|-0.00172095|0.00018439|-0.01114670|0.00374488|-0.00015952|0.00070200|0.00030649|-0.06219949|0.03022103|-0.00848181|0.00054326|-0.00123387|0.00056908|-0.00051115|-0.00037470|0.00006849|0.00029092|0.00094012|-0.00046356|0.00001206|0.00000490|-0.00001631|-0.00002987|-0.00000830|-0.00000328|0.00001898|-0.00001564|0.00000134|-0.00006803|0.00006267|-0.00005856|0.00053699|-0.00039595|0.00011174|-0.00001988|0.00022128|-0.00046815|0.00002522|0.00015246|-0.00010060|0.00028796|0.00014354|0.00018423|-0.00015482|-0.00008202|0.00006249|-0.00151448|0.03588776|-0.01087553|0.00262439|-0.02100854|0.00525326|0.06051228|-0.00001463|0.00010823|-0.00005089|0.00043317|-0.00141037|0.00064104|-0.00084589|0.00079782|0.00058599|0.00138013|-0.00020561|-0.00092794|-0.00065714|-0.00164455|0.00077927|-0.00198573|-0.00098839|-0.00511546|0.00304851|-0.02129345|0.00875657|-0.00008261|0.00039614|0.00157050|0.02870817|-0.31692055|0.07845197|0.00151673|-0.00050976|-0.00012250|-0.00094461|0.00062335|0.00025027|0.00075272|0.00176536|-0.00061097|0.00002388|0.00000463|-0.00001854|-0.00005690|0.00000876|0.00001126|0.00000026|-0.00000707|0.00003130|-0.00029523|0.00005459|-0.00008764|0.00014687|0.00032597|0.00001566|-0.00004078|0.00035922|-0.00015437|-0.00000683|-0.00001271|-0.00011581|0.00029467|0.00087683|-0.00092089|-0.00014854|0.00045343|-0.00018362|0.00120125|-0.00363232|0.00137552|0.00003716|-0.00312440|0.00171830|-0.03179622|0.34395586|-0.00001700|0.00000849|-0.00004503|0.00014582|-0.00063419|-0.00005328|-0.00031489|0.00026556|0.00062767|0.00074202|-0.00022886|-0.00069340|-0.00048504|-0.00195809|0.00118044|-0.00163089|-0.00188360|-0.00522858|0.00384293|-0.02746429|0.00917979|-0.00000586|-0.00034350|0.00179072|-0.00818769|0.08058599|-0.08366356|0.00082198|-0.00008627|0.00114493|-0.00041603|-0.00013814|0.00041144|0.00014134|0.00057921|-0.00032257|0.00000839|0.00000031|-0.00000595|-0.00000215|0.00001795|0.00002956|-0.00004816|0.00003840|0.00003549|-0.00019461|0.00013684|-0.00015134|0.00017376|0.00008253|-0.00008593|-0.00036866|-0.00010786|0.00040817|0.00013251|0.00004437|-0.00010251|0.00003059|0.00013262|-0.00050422|-0.00019169|0.00018639|0.00026157|-0.00030957|0.00699912|-0.00277090|-0.00501307|0.02986352|-0.00812018|0.01107831|-0.08617177|0.08697317|-0.00043834|-0.00161133|0.00029607|-0.00162158|0.00590671|0.00227786|0.00103444|-0.00176246|-0.00088881|-0.00116697|0.00046654|0.00122695|0.00130469|0.00028926|0.00000735|-0.00367182|-0.00148617|-0.00104758|-0.00188952|0.00436946|-0.02880106|-0.00109282|0.00050353|-0.00309552|-0.00379335|0.00209522|-0.00031235|-0.05828784|0.00716684|-0.02978143|-0.00245123|-0.00286093|0.01477488|-0.00824640|-0.01169250|0.02999473|-0.00041929|-0.00004998|0.00025153|0.00001216|0.00005530|-0.00001573|0.00010407|-0.00002192|-0.00020275|0.00016338|-0.00003812|-0.00005734|-0.00014495|0.00115642|-0.00029610|0.00003716|-0.00006920|0.00003190|0.00032637|-0.00008379|0.00043150|-0.00039358|-0.00055352|0.00002316|-0.00044702|0.00064068|0.00042841|-0.00047664|-0.00099274|-0.00103986|0.00016887|0.00008239|-0.00001944|0.00011814|-0.00031277|0.00011587|0.08170844|-0.00037215|-0.00201235|0.00005104|-0.00293373|0.00294835|0.00586940|-0.00014252|0.00010392|-0.00055943|-0.00035776|0.00029698|0.00038752|0.00011972|0.00011988|-0.00032669|0.00075102|0.00002473|0.00012027|0.00006344|0.00270712|0.00711277|-0.00101388|0.00140376|0.00022249|0.00109350|-0.00077110|-0.00018712|0.01181110|-0.05947960|0.03720926|-0.00611628|0.00454842|-0.03134100|-0.00411994|-0.00895743|0.02895293|-0.00043296|0.00013383|0.00050693|-0.00006978|0.00002313|-0.00001460|0.00022534|0.00019478|0.00008978|-0.00002460|-0.00007881|-0.00004805|0.00012699|-0.00025864|-0.00001816|-0.00006047|0.00007580|-0.00011362|-0.00016998|-0.00006737|0.00000572|-0.00028867|0.00000493|-0.00034465|0.00043512|-0.00024825|-0.00013992|0.00000178|0.00025313|0.00035696|0.00003035|-0.00007363|0.00024239|-0.00002059|0.00004651|-0.00007473|-0.00138961|0.05806919|0.00002619|0.00051773|-0.00017698|-0.00017281|-0.00353343|0.00018679|-0.00048627|0.00117707|0.00036969|0.00091247|-0.00018669|-0.00067697|-0.00038199|-0.00040116|0.00053776|-0.00098550|-0.00054924|-0.00028368|0.00115084|-0.00001514|-0.00823269|0.00320967|0.00017913|0.00073433|-0.00162460|0.00114181|0.00017324|-0.02692763|0.04232925|-0.36497995|-0.00133862|0.00315649|-0.01182284|0.01012850|0.00444640|-0.00133800|0.00011073|0.00001897|-0.00005709|-0.00005088|-0.00003003|0.00002281|-0.00003866|0.00001184|0.00012153|-0.00001313|0.00006476|0.00008110|-0.00016737|0.00031660|-0.00007126|0.00004472|-0.00008145|0.00012181|0.00044428|-0.00012280|0.00043004|-0.00030123|-0.00074036|0.00060858|-0.00015187|0.00018995|0.00089643|-0.00035998|-0.00031224|-0.00037489|0.00012810|0.00000087|0.00018888|0.00002014|-0.00011045|-0.00004130|0.01509094|-0.04759370|0.38269432|0.00011250|0.00005992|-0.00020671|0.00306802|-0.00321626|0.00009715|-0.00073340|-0.00087657|0.00016754|-0.00039738|0.00001126|0.00018709|0.00005604|0.00004909|-0.00015727|-0.00129081|-0.00012818|0.00013434|0.00120761|0.00324490|0.00179215|-0.00024082|0.00034454|-0.00042646|-0.00010046|0.00054792|0.00028426|-0.01412790|0.01167473|-0.01875939|-0.18831682|0.12693329|-0.09730834|0.01400526|-0.00617584|0.01361113|-0.00004081|0.00000129|0.00001001|-0.00006467|0.00001965|0.00001636|-0.00001114|0.00003802|-0.00002206|0.00002747|0.00005247|-0.00001308|-0.00008450|0.00040915|-0.00019845|0.00007597|0.00000494|-0.00003661|-0.00013979|-0.00008154|0.00017983|-0.00002486|-0.00013668|0.00008280|0.00000496|0.00001162|0.00005059|-0.00016861|-0.00013308|-0.00007077|0.00008063|0.00000978|0.00011516|-0.00003123|-0.00014641|0.00000558|0.00130604|-0.00191031|0.00007378|0.18805255|0.00025787|-0.00024934|0.00001206|0.00718969|0.00051036|-0.00318726|-0.00130017|-0.00328780|0.00041272|-0.00071372|0.00072653|0.00099989|0.00053417|0.00004583|-0.00016317|-0.00028587|-0.00011948|-0.00013708|-0.00051819|0.00051216|0.00045854|-0.00007247|0.00008765|-0.00001461|0.00013473|0.00015373|-0.00020768|-0.00286816|-0.00429659|-0.00375287|0.11945910|-0.16315289|0.08471279|0.01705734|-0.02893920|0.01170608|-0.00015998|0.00004286|0.00011748|-0.00017902|-0.00003277|0.00002153|-0.00004166|-0.00001723|0.00015095|0.00006336|-0.00000889|-0.00010469|0.00008139|0.00003327|-0.00000584|-0.00002435|0.00003159|-0.00003391|0.00000436|-0.00002204|0.00004285|0.00000619|0.00001462|-0.00000256|-0.00002588|-0.00000326|0.00007000|-0.00008770|-0.00000891|0.00012067|-0.00007332|-0.00004138|0.00020194|0.00002116|0.00001362|0.00001215|0.00101571|0.00017922|-0.00031633|-0.13381216|0.18863671|-0.00018280|0.00006272|0.00005344|-0.00037671|0.00112612|-0.00082301|-0.00006543|-0.00035061|-0.00013718|0.00001493|0.00006308|0.00007078|0.00018007|0.00010776|0.00017264|0.00098313|-0.00010305|-0.00014980|-0.00083381|-0.00288373|-0.00135822|0.00013283|0.00001456|0.00025793|-0.00021576|0.00017064|-0.00098092|0.01192100|-0.01224841|0.01118016|-0.09807470|0.08555177|-0.13553791|0.00506183|-0.00560340|0.00466167|0.00014612|0.00002004|0.00004296|0.00016205|0.00009520|0.00005298|-0.00020870|-0.00002120|0.00023969|0.00001570|-0.00002391|-0.00000893|0.00007507|-0.00030132|0.00016698|-0.00005533|-0.00004818|0.00008082|0.00008848|0.00001321|-0.00007406|-0.00000290|0.00003028|-0.00002570|-0.00003377|-0.00001592|0.00005224|-0.00020296|0.00002852|0.00032468|-0.00021890|-0.00012056|0.00066703|0.00005100|0.00008393|0.00001576|0.00010621|0.00189983|0.00087409|0.10199847|-0.08796850|0.13060944|-0.00027466|-0.00010277|-0.00063450|0.00085867|0.00357875|-0.00257285|0.00047070|-0.00129421|0.00013225|-0.00054394|-0.00004491|0.00057402|0.00010465|0.00025750|-0.00031842|0.00022032|0.00001989|0.00003307|0.00129259|-0.00206775|-0.00075323|0.00014406|-0.00022523|-0.00001315|-0.00199794|0.00057922|-0.00008959|0.01193490|0.00512004|0.02992323|-0.07236219|-0.00713495|-0.07436202|-0.00461346|-0.00775839|-0.01074771|0.00007577|0.00018270|0.00015219|-0.00015132|-0.00007845|0.00002469|0.00004944|-0.00022755|0.00061245|0.00001447|-0.00003163|-0.00002708|-0.00000214|-0.00002769|0.00001615|-0.00001299|0.00005158|-0.00007991|-0.00003772|0.00002575|-0.00008755|0.00003555|0.00007294|-0.00000050|0.00009668|-0.00008005|-0.00018086|0.00020572|-0.00003703|-0.00007203|-0.00238205|0.00027365|-0.00074324|-0.00022234|-0.00020924|-0.00005380|-0.00174239|0.00476487|0.00166019|-0.00222385|-0.00566243|-0.02046512|0.07106346|-0.00036819|-0.00053041|-0.00035446|-0.00011283|0.00741783|-0.00377782|0.00117686|-0.00186601|0.00023798|-0.00083776|0.00033473|0.00082686|0.00045879|0.00011189|-0.00002480|-0.00020491|-0.00012122|-0.00052005|-0.00003746|0.00023410|-0.00115610|0.00026809|-0.00004258|0.00018542|-0.00003596|0.00036281|-0.00067784|-0.00078916|-0.00578990|0.00211053|-0.00744466|-0.07491617|-0.05579544|-0.00404750|-0.01794126|-0.03878777|0.00004480|0.00020012|0.00027279|-0.00004887|0.00002687|0.00010306|-0.00038934|-0.00013013|0.00074238|0.00005722|-0.00002899|-0.00002903|0.00003476|0.00002820|0.00008424|-0.00003154|-0.00009191|0.00012915|0.00005871|-0.00000743|-0.00009967|0.00000548|0.00004286|0.00001621|-0.00002816|-0.00003116|0.00004174|-0.00014018|-0.00005487|0.00024618|0.00023191|0.00025469|0.00050203|-0.00025689|-0.00004115|0.00013783|-0.00082304|0.00081349|0.00044214|0.00320447|0.00919164|0.02042114|0.01005539|0.08257398|-0.00024456|-0.00027584|-0.00025667|0.00167103|0.00078103|0.00010760|-0.00050067|-0.00065674|0.00011730|-0.00010319|0.00027192|0.00017882|0.00020902|-0.00001615|0.00009786|0.00002186|-0.00008045|-0.00008651|-0.00142152|0.00026112|-0.00006199|-0.00006297|0.00008110|0.00006622|-0.00096519|0.00023385|-0.00078432|-0.00637337|-0.00348223|-0.01451520|-0.07165464|-0.06369307|-0.34145701|0.00393996|-0.00379169|0.00538194|-0.00015541|0.00010003|0.00023769|-0.00006029|-0.00010855|-0.00008120|0.00051609|0.00057351|0.00031452|0.00002906|0.00001037|-0.00000484|0.00007101|-0.00005429|0.00003196|-0.00000717|-0.00006506|0.00008072|0.00010469|-0.00001310|0.00007912|-0.00003615|-0.00004053|-0.00001483|-0.00004089|0.00007272|0.00014700|-0.00041675|0.00035110|0.00058940|-0.00182163|-0.00009085|0.00111354|0.00033487|0.00031925|-0.00026996|0.00050060|-0.00226562|0.00001424|-0.00160710|-0.00314515|-0.01042756|0.07807333|0.07472331|0.35940214| 165.12660 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 73 74 75 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 43.0049 132.7802 172.1879 211.4453 244.2481 263.4300 285.9336 295.3588 320.4912 343.8003 360.3275 399.8566 431.2595 435.4992 506.3718 560.6352 613.0651 673.3600 678.5083 726.2557 789.3589 874.0727 948.8040 994.7605 1013.2840 1026.6628 1081.5515 1083.5876 1111.9436 1122.7183 1135.0149 1153.9862 1168.4361 1173.6633 1215.3483 1260.9657 1284.5139 1305.2570 1309.3444 1335.5185 1347.0500 1385.8288 1424.5312 1516.8458 1539.4752 1544.5588 1553.3613 1562.7461 1578.9679 1592.1768 1619.4563 1626.9377 1635.5735 1639.7600 1649.7956 1661.0973 1677.3881 1680.8587 1874.5474 1902.8576 3200.0229 3201.9139 3210.4368 3216.9540 3245.5223 3260.4199 3266.8448 3272.3336 3273.3717 3295.8288 3299.8936 3328.4740 3331.1795 3340.5631 3383.2406 3.1169 1.5135 1.6269 3.7828 3.7676 4.1582 1.3506 1.2335 2.3497 2.6082 1.6730 2.8345 3.1118 2.5483 2.7990 2.5865 3.8017 3.4377 3.8629 3.8479 3.0631 4.2141 2.2680 2.2872 2.4960 1.5368 2.0079 1.5796 1.6650 1.5439 2.1288 2.6125 1.6728 1.5238 1.3567 3.0813 1.5502 1.4926 2.0823 2.3259 2.6314 2.7074 1.3312 1.3338 1.3098 1.3729 1.3047 1.3558 1.3709 2.0153 1.0806 1.0485 1.0532 1.0573 1.0577 1.0821 1.1139 1.3050 10.0071 8.8624 1.0395 1.0509 1.0488 1.0410 1.1022 1.1013 1.1019 1.1023 1.1002 1.1013 1.0554 1.0902 1.0906 1.1015 1.1177 0.0034 0.0157 0.0284 0.0996 0.1324 0.1700 0.0651 0.0634 0.1422 0.1816 0.1280 0.2670 0.3410 0.2848 0.4229 0.4790 0.8419 0.9184 1.0478 1.1958 1.1245 1.8969 1.2029 1.3335 1.5099 0.9544 1.3839 1.0928 1.2129 1.1466 1.6158 2.0498 1.3456 1.2367 1.1807 2.8867 1.5070 1.4982 2.1033 2.4442 2.8132 3.0636 1.5917 1.8081 1.8290 1.9298 1.8549 1.9508 2.0138 3.0100 1.6697 1.6352 1.6599 1.6750 1.6962 1.7591 1.8466 2.1724 20.7182 18.9067 6.2714 6.3482 6.3690 6.3473 6.8405 6.8974 6.9285 6.9545 6.9454 7.0483 6.7713 7.1164 7.1304 7.2424 7.5377 0.0439 0.5278 0.2853 1.8540 2.7053 4.3662 0.1462 0.6883 0.8630 2.4606 0.8432 2.0880 3.4019 5.1534 4.8212 5.5485 3.3166 8.5106 22.5021 5.5482 7.8144 30.7349 2.1897 6.0313 7.8294 0.6670 22.7372 4.4349 0.1020 21.2785 4.4454 15.3537 4.5028 5.5799 11.3809 53.1895 1.1189 3.3503 6.3825 4.9892 70.5691 12.5324 12.3323 12.9695 54.7467 24.3780 9.6124 9.0408 26.5864 161.1823 5.5401 10.6661 1.3074 5.9337 2.4755 5.1235 0.1764 59.6186 460.6904 236.7884 13.7816 37.9079 50.1367 13.4026 20.7149 8.8713 61.0640 68.2392 19.8761 24.8665 36.7666 23.9049 57.2826 9.8139 26.2756 0.3857 0.6523 0.3502 1.0802 1.8202 2.3452 0.3095 0.1471 0.9607 1.3217 0.5206 2.6488 2.7571 0.9094 1.7405 4.5668 3.7726 4.1592 3.1688 4.0506 11.3135 0.1996 9.5940 4.3466 9.1188 6.0477 1.1608 2.8996 9.8982 1.6265 3.3230 3.3595 1.7768 3.7945 4.5174 3.7461 1.2041 2.3291 5.8909 5.5127 1.8846 1.4707 5.3461 4.9106 4.3772 6.0287 4.1108 3.8205 2.7074 7.5335 11.7006 15.6726 7.0166 15.1684 26.8289 0.6658 7.7563 8.1375 38.6008 17.5876 2.8333 24.9446 184.0045 105.3358 38.3494 19.0752 73.0883 131.6075 64.0564 52.5455 99.5109 65.1796 195.4563 71.0038 58.4577 0.5986 0.6346 0.6830 0.5149 0.7332 0.5730 0.3268 0.5234 0.7486 0.4552 0.4276 0.3212 0.4197 0.4336 0.7295 0.2624 0.3642 0.3180 0.2469 0.4822 0.0423 0.7071 0.5876 0.4366 0.5879 0.7486 0.6006 0.7463 0.5258 0.7340 0.6992 0.6870 0.7495 0.4503 0.7028 0.3517 0.5034 0.7172 0.6433 0.7497 0.3482 0.7411 0.6807 0.3284 0.7474 0.4129 0.6996 0.5547 0.6064 0.2987 0.7499 0.7449 0.7441 0.7424 0.7266 0.5759 0.6789 0.7369 0.1007 0.5505 0.2191 0.2463 0.0154 0.0167 0.4198 0.5960 0.5625 0.7023 0.6115 0.7094 0.1533 0.4364 0.2118 0.6409 0.6977 0.7489 0.7764 0.8116 0.6798 0.8460 0.7285 0.4926 0.6872 0.8563 0.6256 0.5991 0.4862 0.5913 0.6049 0.8436 0.4157 0.5339 0.4825 0.3960 0.6506 0.0811 0.8284 0.7402 0.6078 0.7405 0.8562 0.7505 0.8547 0.6892 0.8466 0.8230 0.8145 0.8568 0.6210 0.8254 0.5204 0.6697 0.8353 0.7829 0.8570 0.5165 0.8513 0.8100 0.4944 0.8554 0.5845 0.8233 0.7136 0.7550 0.4600 0.8571 0.8538 0.8533 0.8522 0.8416 0.7309 0.8087 0.8485 0.1830 0.7101 0.3594 0.3952 0.0304 0.0329 0.5913 0.7469 0.7200 0.8252 0.7589 0.8300 0.2658 0.6077 0.3495 0.7811 0.8220 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 27 6 6 7 6 7 6 6 6 6 6 6 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 14.00307 12.00000 14.00307 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 1.00783 1.00783 1.00783 1.00783 1268.50094 1976.85680 2637.98437 0.99977 0.02098 0.00522 -0.02109 0.99954 0.02158 -0.00477 -0.02168 0.99975 1 0.06828 0.04381 0.03283 1.42274 0.91293 0.68414 61.87 191.04 247.74 304.22 351.42 379.02 411.39 424.96 461.12 494.65 518.43 575.30 620.49 626.59 728.56 806.63 882.06 968.81 976.22 1044.92 1135.71 1257.60 1365.12 1431.24 1457.89 1477.14 1556.11 1559.04 1599.84 1615.34 1633.03 1660.33 1681.12 1688.64 1748.62 1814.25 1848.13 1877.97 1883.85 1921.51 1938.10 1993.90 2049.58 2182.40 2214.96 2222.28 2234.94 2248.44 2271.78 2290.79 2330.04 2340.80 2353.23 2359.25 2373.69 2389.95 2413.39 2418.38 2697.06 2737.79 4604.12 4606.84 4619.10 4628.48 4669.58 4691.02 4700.26 4708.16 4709.65 4741.96 4747.81 4788.93 4792.82 4806.33 4867.73 0.253395 0.264226 0.265170 0.217336 -512.566558 -512.555727 -512.554783 -512.602617 1.604360D-04 MUNgauss RevisionA2.1 retrievium 17-Nov-2022 GDB_13 Smiles: CC1=NC=NCC(C)(C)C2CN12 RHF 6-31G(d) (6D,10F) C1 165.126598 |X|Y|Z| 24.633878 32.128895 15.824742 23.223183 9 6 7 6 3 |36.858105| |12.657570|36.858105| |7.958762|15.089217|53.358707| |5.146768|8.216399|18.618899|36.858105| |4.261788|6.267130|10.850747|15.181247|53.358707| |4.425574|6.224692|9.160793|8.197238|17.955197|36.858105| |4.228851|5.727326|7.175745|5.866909|10.407502|12.336026|36.858105| |3.221744|4.123593|5.456294|4.753801|8.589896|7.577402|12.384201|36.858105| |3.877705|4.636662|5.652062|4.216089|6.820320|7.641347|12.395015|7.631463|36.858105| |5.106364|7.333022|7.966530|6.012735|8.784755|7.435840|12.316340|7.697996|7.439284|36.858105| |6.202682|7.500423|7.135284|4.678829|6.256295|5.283046|7.090870|5.006545|6.320144|12.757399|36.858105| |7.843646|13.851386|11.062826|6.824337|8.227069|6.264593|7.166565|5.013136|5.402093|13.231069|13.365234|53.358707| |17.650896|8.968888|10.420429|4.909119|5.419992|4.003315|3.631647|2.865343|3.350280|4.121023|4.625361|7.797132|0.500000| |17.563891|8.910432|8.285927|4.385198|5.016093|3.737582|3.758588|2.983705|3.456086|4.749527|6.085506|9.825481|0.298869|0.500000| |17.546819|8.892352|8.411870|4.420332|5.348388|4.378730|4.298757|3.214268|4.243358|4.962627|6.401555|9.283445|0.299954|0.302073|0.500000| |4.374311|6.208589|12.518322|17.647973|12.967979|5.759427|4.560757|4.046092|3.442834|4.795439|3.896496|7.341423|0.120156|0.108755|0.103445|0.500000| |3.603613|4.635484|6.879039|6.080226|12.629136|17.562139|8.915231|7.184860|6.995549|5.486921|4.193118|6.311487|0.093338|0.086335|0.100925|0.132267|0.500000| |5.261299|7.211939|10.444977|7.578005|12.291160|17.531763|8.802323|5.521014|7.216163|6.559542|5.397099|8.695546|0.132775|0.116590|0.149245|0.148177|0.303534|0.500000| |2.871730|3.550694|4.831477|4.180236|7.616230|6.905035|8.775701|17.557993|7.039425|5.541709|4.055474|5.510441|0.072518|0.073368|0.080572|0.100539|0.216383|0.143255|0.500000| |2.994374|3.685984|4.713249|3.911475|6.478961|5.486888|8.745741|17.527105|6.893391|7.064119|4.989010|6.280587|0.073440|0.079020|0.083738|0.095428|0.144335|0.123052|0.301575|0.500000| |3.139404|4.095513|5.629162|5.242785|9.629594|6.928496|8.756090|17.588434|5.517938|6.981606|4.539172|6.681531|0.078563|0.081484|0.084401|0.128372|0.178421|0.139891|0.301790|0.300440|0.500000| |3.304672|3.865315|4.975750|3.815010|6.335753|6.989084|8.807415|7.046565|17.551278|5.450008|4.656604|5.782206|0.082231|0.081948|0.099481|0.088342|0.211124|0.179516|0.215186|0.171996|0.143296|0.500000| |4.452561|5.070400|5.982583|4.161730|6.352615|6.954588|8.689418|5.498775|17.553181|6.612602|6.577176|7.565047|0.105646|0.107050|0.143520|0.093760|0.171060|0.217657|0.142773|0.139997|0.122476|0.302938|0.500000| |3.513193|4.042955|4.834012|3.580787|5.581782|5.509650|8.735763|6.899795|17.552109|6.826717|6.317982|6.678500|0.083903|0.090398|0.106789|0.084106|0.142375|0.144540|0.172631|0.204781|0.140271|0.301788|0.301145|0.500000| |4.226992|5.730559|6.701075|5.381614|7.831441|5.859713|8.668735|7.765468|5.710874|17.697877|8.737575|12.465405|0.098230|0.114571|0.111402|0.128404|0.129923|0.139126|0.149846|0.215855|0.218884|0.126525|0.137632|0.156913|0.500000| |5.249127|5.773320|5.839680|3.903277|5.155952|4.128528|5.322697|4.274111|4.912624|8.509597|17.682962|12.158120|0.112619|0.157434|0.147209|0.094921|0.095413|0.115090|0.097703|0.124458|0.110632|0.106729|0.138378|0.145662|0.212117|0.500000| |6.261423|6.703035|6.579952|4.201234|5.715650|5.138171|6.596874|4.553974|7.088941|8.612357|17.705704|12.041667|0.130463|0.161890|0.205862|0.096844|0.116559|0.155801|0.107828|0.125014|0.111013|0.141711|0.235844|0.195093|0.171489|0.292584|0.500000| 512.358733 -2707.046944 998.325992 -72.051676 -1268.413895 755.593942 -512.819953 2.000900 4040000000000009 4192D52D30000000 412AC8C8CCCCCCCD 40BBE4FFFFFFFFFD C014000000000000 4167B2A0E0000000