Version2.5 2022-12-21T19:35:24Z 10.1021/ja902302h Gaussian16 RevisionB.01 DOC1ROB 30-Nov-2022 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) GDB_13 Smiles: CC1CN2N=C(C)C(=C)C2C1N RHF 6-31G(d) (6D,7F) CC1CN2N=C(C)C(=C)C2C1N C1[X(C9H15N3)] 75 C1 210 CC1CN2N=C(C)C(=C)C2C1N CC1CN2C(C1N)C(=C)C(=N2)C CC1CN2N=C(C)C(=C)C2C1N InChIKey=SXZSCHZBXVUOFS-UHFFFAOYSA-N InChI=1S/C9H15N3/c1-5-4-12-9(8(5)10)6(2)7(3)11-12/h5,8-9H,2,4,10H2,1,3H3 InChI=1/C9H15N3/c1-5-4-12-9(8(5)10)6(2)7(3)11-12/h5,8-9H,2,4,10H2,1,3H3 CC1CN2N=C(C)C(=C)C2C1N C01[X(C9H15N3)] 75 C1 210 CC1CN2N=C(C)C(=C)C2C1N C[C@@H]1N[N@]2[C@@H]([C@H]1C)[C@H]([C@H](C2)C)N C[C@H]1CN2N[C@@H](C)[C@H](C)[C@H]2[C@H]1N InChIKey=GXRGGBXXRIOMRZ-LJASKYJCSA-N InChI=1S/C9H19N3/c1-5-4-12-9(8(5)10)6(2)7(3)11-12/h5-9,11H,4,10H2,1-3H3/t5-,6-,7-,8-,9-/m0/s1 InChI=1/C9H19N3/c1-5-4-12-9(8(5)10)6(2)7(3)11-12/h5-9,11H,4,10H2,1-3H3/t5-,6-,7-,8-,9-/m0/s1 5.124034687779D+02 -2.697325915303D+03 750.2745422691 -512.8290515 1-A 2044.0002 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| -15.58131 -15.56889 -15.54022 -11.25785 -11.25719 -11.25462 -11.24506 -11.23465 -11.22858 -11.22770 -11.22007 -11.21659 -1.33847 -1.20125 -1.13643 -1.07746 -1.04407 -0.97258 -0.96867 -0.90596 -0.85646 -0.77533 -0.76158 -0.72484 -0.68938 -0.67389 -0.64878 -0.61730 -0.60602 -0.58630 -0.57851 -0.57140 -0.56710 -0.55758 -0.54172 -0.52288 -0.51413 -0.48150 -0.47918 -0.46506 -0.44256 -0.42013 -0.39723 -0.38785 -0.29804 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.12717 0.21269 0.24472 0.25394 0.26089 0.27537 0.28661 0.29147 0.30296 0.31184 0.31680 0.32558 0.33090 0.33868 0.34366 0.34704 0.35258 0.37529 0.38595 0.40337 0.42557 0.44517 0.46216 0.46582 0.47660 0.50109 0.50878 0.55014 0.58893 0.67259 0.70183 0.73290 0.74277 0.75680 0.77175 0.78876 0.80106 0.81405 0.83163 0.84211 0.85350 0.86647 0.88097 0.91512 0.92664 0.93554 0.94312 0.95687 0.96520 0.97908 1.00741 1.02412 1.04052 1.04521 1.04881 1.07542 1.08241 1.10875 1.11979 1.12732 1.14135 1.15398 1.16206 1.17505 1.17650 1.18093 1.19411 1.20672 1.21657 1.22595 1.23258 1.23629 1.25570 1.26202 1.27016 1.28163 1.29539 1.32388 1.34511 1.37101 1.43533 1.43888 1.46590 1.54348 1.55616 1.57534 1.61000 1.64471 1.68682 1.69681 1.73997 1.77452 1.81278 1.82729 1.83767 1.90529 1.95056 1.96919 2.00180 2.02015 2.05634 2.06786 2.10034 2.12905 2.13851 2.15405 2.17943 2.20554 2.23265 2.25999 2.27621 2.29922 2.30797 2.34068 2.37478 2.38993 2.42737 2.43938 2.44672 2.47207 2.48643 2.51846 2.53587 2.53923 2.55614 2.56309 2.60752 2.63994 2.67196 2.67519 2.72786 2.73476 2.75577 2.78865 2.82421 2.85023 2.87959 2.89679 2.92571 2.93260 2.94575 3.01650 3.04004 3.04674 3.11097 3.11852 3.15098 3.17254 3.20982 3.30225 3.36111 3.53199 3.55335 4.26014 4.45989 4.54793 4.61486 4.61845 4.66853 4.74434 4.78135 4.88668 5.03013 5.11072 5.20139 11.57046 0.7972 3.4092 0.3276 3.5165 |XX|YY|ZZ|XY|XZ|YZ| -65.7443 -73.5868 -74.9300 -1.6038 -1.4573 -0.2794 |XX|YY|ZZ|XY|XZ|YZ| 5.6760 -2.1664 -3.5096 -1.6038 -1.4573 -0.2794 |XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| -8.1104 18.0994 4.6488 7.3331 1.1215 7.1886 4.4041 6.2234 5.8781 3.6256 |XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY| -1809.7140 -618.9958 -302.9176 3.1529 -10.5079 -9.8119 5.3848 -0.7832 8.7053 -396.4170 -359.7974 -147.3310 7.8162 2.5400 9.0913 0 |0.58337157|0.00279001|0.64493057|0.04840385|-0.00273927|0.62027660|-0.17865371|0.00589703|0.06491634|0.62000854|0.00669383|-0.09981197|-0.00593506|-0.00697829|0.51708565|0.06412829|-0.00414340|-0.14691551|0.01371000|-0.00166882|0.67230943|-0.01780332|0.02293488|-0.00370313|-0.12434556|0.05981989|-0.01838689|0.53825424|0.00184784|0.00378044|-0.00304882|0.04326466|-0.16694431|0.02078848|0.06262063|0.66834451|0.01211101|-0.02093177|0.00541877|-0.01304126|0.01723505|-0.10477353|0.05186124|0.00066014|0.67684937|-0.00205899|0.00570438|-0.00295162|-0.03865596|0.00480255|0.01698974|-0.18496540|-0.00942338|0.08752463|0.68327439|0.00146606|-0.00580712|0.00161855|0.02247600|0.00325466|-0.01141301|-0.04392121|-0.11425751|0.05311443|0.04501741|0.50729895|-0.00041065|0.00157150|-0.00045384|-0.00387579|-0.00424015|0.00527776|0.03666450|0.03289376|-0.12140221|0.01516962|-0.13221315|0.30782088|0.00002733|0.00036378|-0.00049974|-0.00441145|-0.00226938|0.00092043|-0.04775699|0.00475894|-0.02364677|-0.20485368|0.06420482|-0.05069428|0.63130919|0.00012258|0.00148045|-0.00003756|-0.00140052|-0.00357777|0.00033711|-0.00335882|0.00765842|-0.01234949|-0.02343682|-0.12075120|0.02153445|0.27635667|0.67739049|0.00082632|-0.00222148|0.00100619|0.00555182|0.00102417|-0.00332847|0.01124207|-0.01853026|0.00895622|-0.08488363|0.08948967|-0.12264564|0.13298144|-0.08427776|0.19328973|-0.00022899|0.00019162|-0.00019004|-0.00182710|-0.00019927|0.00159881|0.00077984|0.00374671|-0.00647746|-0.08395244|-0.03551918|-0.03295173|-0.35861067|-0.25949630|-0.04815059|0.86059875|-0.00013281|-0.00074973|-0.00005530|0.00050434|0.00116497|0.00043330|0.00444989|0.00039048|0.00170996|-0.00850858|0.00571875|-0.00885540|-0.30801959|-0.46557760|-0.00159265|0.23129818|0.76812044|-0.00009013|0.00038209|-0.00010916|-0.00103087|-0.00058159|0.00081910|0.00073489|0.00302683|-0.00204830|-0.04310446|-0.01911018|-0.00055476|-0.03261105|0.02182724|-0.08850232|0.21836159|-0.08426551|0.32666972|0.00008660|-0.00002619|0.00006936|0.00027589|-0.00006208|-0.00025508|0.00052408|-0.00087632|-0.00015962|0.00440003|-0.00205079|-0.00364937|-0.03139102|0.00015976|-0.01079219|-0.22767477|0.01511742|-0.06985703|0.58396286|-0.00005134|0.00046892|-0.00010277|-0.00036619|-0.00066669|0.00016874|-0.00038698|0.00175174|-0.00144681|-0.00785716|-0.00202425|0.00315231|-0.02806524|0.00624459|-0.01846132|0.02542783|-0.10878998|0.01922188|0.00945612|0.66942940|-0.00013094|0.00002322|-0.00014807|-0.00078681|0.00023558|0.00058079|-0.00267560|0.00068522|-0.00051969|0.00046774|0.00239031|0.01698995|-0.00198684|-0.00806097|-0.00679929|-0.07219091|0.01701672|-0.12387927|-0.01684569|-0.01211393|0.61210088|-0.00022635|-0.00037975|-0.00043420|-0.00188510|0.00064761|0.00175951|-0.00096674|0.00094709|-0.00125968|-0.01291928|-0.01920065|0.00336451|0.01587372|-0.03247443|0.00114735|-0.14209725|0.05515535|-0.03818736|-0.00120354|0.02544860|-0.01208586|0.63506324|0.00033193|0.00122375|0.00030152|0.00343398|-0.00296344|-0.00265846|-0.00043427|-0.00777584|-0.00163197|-0.02546162|-0.03276727|0.00193120|-0.03864260|-0.06413231|0.01708330|0.04378890|-0.17652728|0.04824084|0.00270122|0.00395764|0.00105539|0.24792654|0.89345566|0.00085253|0.00139701|0.00074764|0.00314013|-0.00162822|-0.00322913|0.00271742|0.00187613|-0.00091167|0.00279866|-0.00444032|-0.00851418|-0.00102122|0.02272908|0.03029410|-0.03470492|0.05125521|-0.11919661|-0.00319631|0.01156909|-0.00140283|0.07887160|-0.15245004|0.28323649|-0.00008350|-0.00026888|-0.00009157|0.00001273|0.00022851|0.00042817|0.00038086|-0.00163879|-0.00046132|-0.00649731|-0.00401190|-0.00149135|-0.00025633|0.01208759|-0.00331368|0.01774310|0.00097062|0.00323203|0.00014226|0.00098834|0.00016666|-0.25382281|-0.21614840|0.00695607|0.72500419|-0.00000346|0.00023380|-0.00010817|0.00002706|-0.00019570|0.00019453|0.00137797|0.00143142|-0.00036107|-0.00238321|0.00153137|-0.00255163|0.01192359|-0.00274868|0.00560445|-0.02099522|-0.03355899|0.00700298|-0.00115611|0.00035424|-0.00109493|-0.22015216|-0.50345247|0.07750829|0.16838786|0.85555801|-0.00008213|-0.00025570|-0.00010552|-0.00045064|0.00038328|0.00049085|-0.00000674|-0.00093312|-0.00012651|-0.00229953|-0.00128138|0.00110591|-0.00318836|0.00488390|-0.00220771|0.01052419|0.01444402|0.00634202|0.00079087|-0.00027472|-0.00059511|0.01000366|0.07899444|-0.08885528|0.15467895|-0.19896354|0.25998118|-0.00229784|-0.00432392|-0.00200637|-0.04050455|-0.00264146|0.01982792|-0.00179684|-0.02896683|0.00395395|-0.11655470|-0.00609225|-0.00264710|-0.00197199|0.03038946|-0.00805701|-0.02615404|0.01108120|-0.01700437|0.00051006|0.00090927|0.00008008|-0.20600527|-0.00884558|-0.04071184|-0.00896001|-0.00989687|-0.00506839|0.62231560|-0.00154891|-0.00645636|-0.00060854|-0.01632750|0.01005901|0.01206889|-0.01674184|-0.01666264|0.00060411|-0.00791496|-0.18988645|0.04666547|0.02347162|-0.02787331|0.01340651|0.02230877|0.01030698|0.00549055|-0.00214906|-0.00630254|0.00426459|-0.03472148|-0.10588498|-0.01251658|-0.02793394|0.00133966|-0.00792502|-0.00775291|0.50300318|-0.00111671|-0.00080793|-0.00049476|0.00597250|0.00484278|0.00533236|0.00680575|0.01657870|-0.00656639|-0.00255182|-0.00841067|-0.08459322|-0.01761369|0.03027450|-0.00924053|-0.01867326|0.00784608|-0.00281871|-0.00051481|0.00326135|0.00065725|-0.03788445|-0.00393666|-0.10686124|0.00480345|-0.00071295|0.00690868|0.04665571|-0.05984459|0.67424010|-0.01944558|-0.02331552|-0.00152541|-0.12899488|-0.05252125|0.00253266|0.01271369|0.00817475|0.00350967|-0.00462864|0.01472844|0.00055409|-0.00119902|-0.00003408|0.00212373|-0.00207080|-0.00022172|-0.00159630|0.00002121|0.00018767|-0.00028594|-0.02506728|0.00952504|0.01300748|0.00178945|0.00176855|-0.00009503|-0.15111067|0.03644420|0.03287484|0.54403357|0.00033435|0.00662692|0.00384212|-0.04595057|-0.15497757|0.00093701|-0.01192901|-0.04443368|-0.00439452|0.02724904|-0.03508858|-0.01313395|-0.00192360|-0.00352849|0.00011380|-0.00235846|-0.00146254|-0.00159752|0.00010670|0.00087826|-0.00024291|-0.00481370|0.01057000|0.01005976|-0.00187529|-0.00017640|-0.00253726|0.02698056|-0.10197509|-0.01756601|-0.04947728|0.66477742|0.01140969|0.01986243|0.00533843|-0.00574602|-0.00214543|-0.09568658|0.00523553|0.01047188|0.00544920|-0.00523482|0.00270126|0.00753401|0.00125093|0.00195043|-0.00198434|-0.00255574|-0.00161300|-0.00135017|0.00007801|0.00089577|0.00004989|-0.00046117|0.01207632|0.00974566|-0.00103190|-0.00326250|-0.00157795|0.03632452|-0.02145546|-0.11807637|0.03024023|-0.02814468|0.60285491|0.00081040|0.00071064|-0.00026264|-0.00841072|-0.00652137|-0.03519643|-0.00224574|0.00021838|0.00037853|0.00173863|-0.00153049|-0.00095416|-0.00130909|0.00079920|-0.00022610|0.00104541|0.00065437|0.00115105|0.00014522|-0.00001713|0.00000242|0.00024454|-0.00166217|0.00049068|-0.00018557|0.00145372|0.00067506|0.01065887|0.00349605|0.03551538|-0.13092415|-0.00412629|-0.02792747|0.75738938|0.00076530|0.00022263|0.00156060|-0.00901464|-0.00362338|-0.02972164|-0.00015686|-0.00070598|0.00172171|0.00010332|0.00149975|0.00115629|-0.00019339|0.00073124|-0.00100374|-0.00000411|-0.00018943|-0.00030101|-0.00005810|0.00013640|-0.00011160|0.00007548|0.00019779|-0.00029678|0.00012133|-0.00027089|-0.00016233|-0.00225296|-0.00249789|-0.01279768|-0.01723697|-0.08946001|-0.05051743|0.11063270|0.43294924|0.00078004|0.00017277|-0.00044665|-0.00405051|-0.00595818|-0.00638509|0.00062561|0.00014402|0.00013012|0.00080120|-0.00041048|0.00264659|-0.00067709|-0.00101540|0.00004594|0.00009034|0.00083143|-0.00076852|-0.00015481|-0.00035747|-0.00022295|-0.00167880|-0.00037556|-0.00054797|0.00042462|-0.00000253|0.00023047|-0.00193555|-0.00601539|-0.02728024|-0.03818264|0.00264632|-0.24863690|-0.10509574|0.18489907|0.52001927|-0.16000831|-0.13305711|-0.02791138|-0.01767686|-0.02574026|-0.00703498|0.00033560|-0.00105227|-0.00082912|0.00044532|0.00008377|0.00006115|-0.00002508|0.00036288|-0.00019808|-0.00004181|-0.00023350|0.00005682|0.00002794|0.00008319|-0.00003437|-0.00009867|0.00040972|0.00047861|-0.00010977|0.00006106|-0.00006704|-0.00099508|-0.00170409|-0.00039400|-0.00310613|0.00306802|0.00439395|0.00020784|0.00030917|0.00023565|0.17132457|-0.13422844|-0.23483324|-0.03662461|0.00298573|0.00348368|0.00073547|0.00014040|0.00031166|0.00026535|-0.00029038|0.00029003|0.00011090|0.00002973|0.00001490|0.00009370|-0.00002185|-0.00005491|-0.00000301|0.00001615|0.00000039|-0.00000728|0.00005123|0.00009451|0.00001283|-0.00002167|0.00000632|0.00001627|0.00010766|-0.00010137|-0.00030391|0.00077454|0.00087710|-0.00018872|-0.00004828|0.00006332|-0.00009212|0.14790535|0.25137828|-0.02900823|-0.03740665|-0.06647592|0.01506238|0.02154574|0.00424032|-0.00050553|0.00011114|0.00063750|-0.00033785|0.00018434|-0.00009412|-0.00006518|-0.00017798|0.00008063|0.00005545|0.00014501|-0.00001830|-0.00001119|-0.00005519|0.00001309|0.00009715|-0.00031040|-0.00037139|0.00007405|0.00004280|0.00009678|0.00104247|0.00117696|0.00045060|0.00335143|-0.00252319|-0.00383961|-0.00057066|-0.00085597|0.00027513|0.02836626|0.04153859|0.06666662|-0.13601144|0.12195919|-0.02735115|-0.01548774|0.02713239|-0.00849593|-0.00277309|-0.00240352|0.00485211|-0.00175459|0.00148516|-0.00038499|0.00006075|-0.00047498|0.00084284|-0.00016629|0.00012110|-0.00012947|0.00002985|-0.00012408|-0.00001425|-0.00004350|-0.00003317|-0.00012460|-0.00000250|-0.00010046|-0.00000513|0.00020543|0.00069550|0.00000453|0.00103043|0.00110223|-0.00118289|-0.00013159|-0.00052006|0.00010538|0.01455224|-0.01896829|0.00530102|0.14528986|0.12269756|-0.25249838|0.04302061|-0.00094518|0.00031401|0.00020000|-0.00047488|0.00127137|-0.00057077|0.00012325|-0.00005261|0.00026494|-0.00003279|0.00025810|-0.00017554|0.00007389|-0.00002854|0.00002042|-0.00001400|0.00002831|-0.00000584|0.00001877|-0.00005777|-0.00002704|0.00003905|0.00003857|0.00001674|0.00020578|-0.00005024|0.00002485|-0.00026030|0.00035728|-0.00051929|0.00011053|0.00036249|0.00014528|0.01604713|-0.02430782|0.00615621|-0.13651359|0.27184399|-0.02806254|0.04394440|-0.07067158|0.01196508|-0.02235322|0.00563963|0.00288463|0.00203613|-0.00348500|0.00114276|-0.00119400|0.00088119|0.00020250|0.00024262|-0.00051397|0.00010889|-0.00007204|0.00006707|-0.00002040|0.00007852|0.00002856|0.00002193|0.00006422|0.00004917|-0.00000120|0.00003133|-0.00001515|-0.00026258|-0.00045096|-0.00000079|-0.00080806|0.00012877|0.00110171|-0.00029379|-0.00007481|0.00009301|0.00435569|-0.00585289|0.00093224|0.02810064|-0.04870052|0.06874389|-0.08051983|0.00127320|-0.07740744|0.01124707|0.00063338|0.03119278|0.00167466|-0.00061020|0.00073271|0.00020723|-0.00000787|-0.00024794|0.00009104|-0.00004249|-0.00013936|-0.00007842|-0.00004211|-0.00001090|-0.00001833|0.00001959|0.00002883|0.00002666|0.00004376|-0.00009860|-0.00000457|-0.00003834|-0.00003538|0.00023373|0.00004971|0.00001131|0.00119710|-0.00011726|0.00009998|-0.00007641|-0.00093861|-0.00069886|-0.00603569|0.00169686|-0.02149906|-0.00541494|-0.00156843|-0.01811944|0.08428109|0.00105019|-0.06073818|0.00206259|-0.00042652|-0.00043485|-0.00176353|-0.00038345|0.00015348|-0.00136608|-0.00005264|-0.00001889|0.00011240|0.00006262|-0.00008149|0.00012711|-0.00001346|0.00003209|-0.00001059|-0.00000239|-0.00001347|0.00000862|-0.00003754|0.00001002|-0.00004020|0.00001518|-0.00005678|-0.00001902|-0.00012739|0.00021166|-0.00011220|0.00036097|-0.00005255|0.00101039|-0.00009658|-0.00037063|-0.00014462|-0.00760494|0.00186861|-0.03059904|0.00803025|0.00181039|0.03218743|-0.00020309|0.05822156|-0.07383244|0.00189343|-0.32513341|-0.00693060|0.00028316|-0.02171630|-0.00113634|0.00086528|-0.00005586|-0.00012875|-0.00016762|0.00075975|-0.00000398|0.00002513|-0.00004472|0.00012626|0.00005824|0.00002035|-0.00000332|-0.00001545|-0.00001181|-0.00004072|-0.00015240|-0.00001601|0.00003915|0.00009261|0.00007323|0.00007221|0.00017817|0.00009505|-0.00109301|-0.00098929|-0.00132007|-0.00084280|-0.00119524|0.00068706|-0.00179790|-0.00071153|-0.00404814|-0.00161345|0.00080977|-0.00390800|0.08229720|-0.00120397|0.35365146|0.01002466|0.00102277|0.03285778|-0.09114337|-0.00379312|-0.08132867|-0.00596156|-0.00107848|-0.02064998|0.00049448|0.00043489|0.00049291|-0.00025720|-0.00000811|0.00039552|0.00024335|0.00004825|0.00003089|0.00001980|-0.00003668|0.00000711|0.00004697|-0.00017861|0.00017760|0.00005999|0.00002910|0.00008257|0.00020539|-0.00001350|-0.00124164|-0.00604625|0.00168445|-0.02278421|-0.00415300|-0.00386701|0.00031544|0.00159540|-0.00024062|-0.00104937|0.00128922|0.00016108|-0.00113507|-0.00534901|0.00039255|0.00463978|0.09930650|-0.00082090|0.00038669|-0.00195759|-0.00346886|-0.06059439|-0.00866623|0.01107090|-0.00073426|0.03404909|-0.00066733|0.00017470|-0.00023979|0.00016945|-0.00003382|-0.00050190|-0.00001968|0.00010057|-0.00002926|-0.00002466|-0.00002354|-0.00004042|0.00018786|-0.00031827|0.00023257|-0.00003377|0.00014265|0.00003736|0.00071553|0.00046660|-0.00026303|-0.00911434|-0.00053841|-0.03125655|-0.00680419|-0.00438302|0.00065316|0.00028200|0.00019178|0.00052449|-0.00046017|0.00002099|-0.00023048|0.00032576|0.00075181|-0.00020942|0.00422156|0.06707074|-0.00692950|-0.00077053|-0.02213160|-0.08316555|-0.00923554|-0.30389104|-0.00164272|-0.00036571|-0.00619051|-0.00044575|0.00030288|0.00032021|-0.00031659|-0.00002176|0.00047604|0.00018114|0.00006827|0.00001359|0.00003101|-0.00007572|-0.00008559|-0.00033257|-0.00017391|0.00045044|0.00000276|0.00005030|0.00005388|0.00045833|0.00029828|-0.00083461|-0.00032733|0.00143997|-0.00409447|-0.00115531|-0.00127679|0.00117994|-0.00005468|0.00076807|0.00094564|0.00011467|-0.00073206|0.00077831|0.00456772|-0.00035931|-0.00156379|0.08863361|0.00899474|0.33068563|0.00090122|-0.00031202|-0.00019367|0.01189440|0.02000394|0.01050499|-0.09401034|-0.08180904|-0.04584294|-0.01872777|-0.03011750|-0.00246735|-0.00035967|-0.00204729|0.00024329|-0.00099806|0.00012992|-0.00035512|-0.00009702|-0.00018374|0.00014184|-0.00005005|-0.00150093|-0.00005797|-0.00049741|-0.00006284|-0.00017041|-0.00450083|0.00046087|-0.00142233|-0.00409221|0.00387814|-0.00079210|0.00042665|-0.00037353|-0.00007331|-0.00021571|-0.00019869|0.00004311|-0.00011169|-0.00021494|-0.00018417|-0.00005199|0.00008476|0.00000033|0.00118774|-0.00143454|0.00035593|0.10833118|-0.00036600|-0.00072142|0.00052897|-0.01219955|-0.02076611|-0.01249795|-0.08508577|-0.25828963|-0.09812680|-0.00523240|-0.00149698|0.00288928|-0.00001087|-0.00087811|0.00001154|-0.00048298|-0.00020046|-0.00012612|0.00005625|-0.00005267|0.00003543|0.00002730|-0.00019906|0.00024719|-0.00022209|-0.00003339|-0.00005895|-0.00069757|0.00007174|-0.00092216|0.00334743|-0.00316938|0.00194286|0.00004769|0.00052832|-0.00017766|0.00079247|0.00035621|-0.00031073|0.00059282|0.00023402|-0.00002637|-0.00000186|0.00003737|0.00007098|-0.00045256|0.00166856|0.00070240|0.09884737|0.27782591|-0.00018110|-0.00023153|-0.00030888|0.00192134|0.00778159|0.00262480|-0.04715352|-0.10361570|-0.11583320|0.00859002|0.01871746|0.00903338|0.00042492|0.00074749|0.00062563|0.00055511|0.00022382|0.00000931|0.00007410|-0.00001937|-0.00009689|0.00019614|0.00085570|-0.00011074|0.00027635|0.00004112|0.00012064|0.00255776|0.00175425|-0.00021681|-0.00017643|0.00161429|-0.00096842|0.00004420|-0.00108331|0.00047362|0.00029967|-0.00006662|0.00008469|0.00013889|0.00007000|0.00007292|-0.00011652|0.00001716|0.00020085|0.00079426|0.00012418|0.00103574|0.04418469|0.10470441|0.11640385|0.00096160|-0.00060804|-0.00126660|-0.00406493|0.00153796|-0.02361375|-0.06849407|0.00561503|-0.05114450|-0.00697964|-0.00984326|0.04169390|0.00472456|-0.00087750|0.00107470|-0.00054572|-0.00079573|-0.00024357|0.00004920|0.00002383|-0.00003590|0.00022638|-0.00020705|0.00059530|-0.00023967|0.00002013|-0.00018011|-0.00138095|0.00325559|0.00143836|-0.00015504|-0.00034701|-0.00006664|0.00037704|-0.00035454|0.00006273|-0.00011692|-0.00007971|-0.00005696|0.00019400|-0.00014778|0.00017431|-0.00025639|0.00031336|0.00069921|-0.00203900|0.00484156|-0.00059334|0.00006544|0.00230001|-0.01282882|0.07748963|-0.00115851|0.00168580|0.00064193|0.00490314|-0.00113083|0.02974517|0.00236117|-0.06988942|0.03130989|-0.00072031|0.00065305|0.01174136|0.00213062|0.00055177|-0.00028873|-0.00001341|-0.00024606|-0.00021362|-0.00005105|0.00000284|0.00010528|0.00011915|-0.00007428|0.00016492|-0.00010408|-0.00014524|-0.00006358|-0.00048469|-0.00033884|0.00036475|-0.00030179|0.00064638|0.00138555|-0.00000010|-0.00034823|-0.00115630|0.00012699|-0.00001222|-0.00022430|-0.00050901|0.00004431|-0.00009520|0.00048339|-0.00002806|-0.00076643|0.00299991|-0.00473200|0.00109874|-0.00577102|0.00647784|-0.03198595|-0.00377646|0.06742314|0.00057751|-0.00040289|0.00060502|-0.00121395|0.00063936|-0.00339614|-0.04383610|0.03569497|-0.33569620|0.00752789|0.00471655|-0.01575302|-0.00484449|0.00181981|0.00244820|0.00136326|0.00017256|0.00058085|0.00011306|0.00006269|-0.00046425|-0.00017281|-0.00034977|-0.00009882|0.00020905|0.00027827|0.00009307|0.00078303|-0.00171664|-0.00129724|-0.00045151|0.00019872|-0.00099625|-0.00025582|-0.00208485|0.00036277|-0.00014995|0.00005563|-0.00003630|0.00011141|-0.00002918|0.00044370|-0.00040151|0.00006654|0.00077953|0.00009433|0.00051178|0.00120362|-0.00402906|0.00102287|-0.01323620|0.04401062|-0.04118433|0.36396268|-0.00001205|-0.00006226|-0.00001416|-0.00006728|0.00012099|0.00006734|0.00010599|0.00007479|0.00002645|-0.00035897|-0.00037151|-0.00013068|0.00380965|0.00015259|0.00191227|-0.00334899|0.03706361|-0.01369442|-0.06086277|0.02202915|-0.00898508|-0.00540626|-0.00206575|-0.00231611|-0.00036056|-0.00050018|0.00006110|-0.00028882|0.00157992|-0.00064491|-0.00005990|-0.00025812|-0.00027643|0.00001140|-0.00003163|0.00012503|-0.00002435|-0.00000570|0.00001258|0.00000829|-0.00000152|-0.00000142|-0.00000336|0.00000688|0.00001021|0.00000925|0.00000150|0.00001422|-0.00000848|-0.00002727|0.00000831|-0.00003713|0.00000922|0.00005046|0.06266841|0.00000677|0.00001618|0.00002434|0.00003868|-0.00003195|-0.00006005|-0.00010873|-0.00012868|0.00010875|0.00073600|0.00032814|0.00021582|-0.00182906|0.00098266|-0.00137293|0.00006385|-0.00223894|0.00028424|0.02771483|-0.31642365|0.10217473|-0.00008387|0.00071600|0.00030891|-0.00006413|0.00015494|-0.00002055|-0.00028390|-0.00020173|-0.00001564|-0.00004161|0.00011427|0.00005263|0.00003599|0.00000197|-0.00008472|0.00001685|0.00000865|-0.00000617|0.00000570|-0.00000652|-0.00000588|-0.00000056|-0.00000574|-0.00000751|-0.00000066|0.00000070|-0.00000145|0.00002436|0.00002951|-0.00001187|0.00001880|0.00000353|-0.00003410|-0.02796961|0.33858284|-0.00000582|-0.00003871|-0.00000546|-0.00003702|0.00007059|0.00005110|0.00011688|0.00005048|0.00007858|-0.00034704|-0.00033361|-0.00053274|0.00258296|-0.00045431|0.00104157|-0.00084666|0.01710192|-0.00731155|-0.01100756|0.09959295|-0.09814881|-0.00310690|-0.00079200|0.00024186|-0.00007436|-0.00020083|0.00022165|-0.00004823|0.00088815|-0.00002442|-0.00004721|-0.00019602|-0.00015357|-0.00000980|0.00000703|0.00005387|-0.00001726|-0.00000605|0.00000901|0.00000053|0.00000429|-0.00000272|0.00000033|0.00000082|0.00000250|0.00000209|0.00000952|-0.00000083|-0.00002064|-0.00002319|-0.00000449|-0.00000226|-0.00000139|0.00002048|0.01329428|-0.11143499|0.09917403|-0.00005008|0.00014041|-0.00009861|-0.00027851|-0.00017059|0.00024831|-0.00000613|0.00093630|-0.00056684|-0.00325097|0.00013288|0.00203543|-0.00182005|0.00034232|-0.00407917|-0.00217028|-0.02726381|-0.02620141|-0.05943747|-0.01562313|-0.02110559|0.00008857|-0.00027355|0.00093578|0.00039799|0.00066537|0.00005955|-0.00014205|-0.00046057|0.00045830|-0.00003029|-0.00007428|-0.00021458|0.00019418|-0.00001520|0.00024492|0.00000979|-0.00000618|0.00000285|-0.00006163|0.00002119|0.00003803|-0.00000038|-0.00001011|0.00001843|0.00000082|0.00003127|-0.00001792|-0.00006684|-0.00004445|0.00000767|-0.00003070|-0.00003709|0.00003853|-0.00044327|0.00190549|0.00328285|0.06293359|0.00000094|-0.00000483|-0.00001994|0.00001706|0.00001367|0.00004251|0.00015473|0.00001409|-0.00014766|-0.00003500|0.00036369|-0.00012449|0.00011029|0.00026960|-0.00080605|-0.00234480|0.00408090|0.00517149|-0.01566396|-0.18282392|-0.13895818|-0.00011277|-0.00044849|-0.00002094|-0.00005672|0.00008735|0.00009055|-0.00024492|0.00011695|-0.00010326|0.00001121|-0.00001253|-0.00015292|0.00002500|-0.00001502|0.00017281|-0.00000532|-0.00000309|0.00000576|-0.00000512|0.00000367|0.00000533|-0.00000373|0.00000085|0.00001147|0.00000737|0.00000232|0.00000699|-0.00001485|-0.00001096|0.00002595|-0.00002893|-0.00002058|0.00003713|-0.00296283|-0.01947775|-0.02698266|0.01906482|0.19259915|-0.00001680|0.00009044|-0.00004571|-0.00012798|-0.00013040|0.00009808|0.00024048|0.00055229|-0.00024718|-0.00170208|-0.00009653|0.00010467|-0.00005348|0.00079390|-0.00115722|-0.00089108|-0.01047453|-0.00907428|-0.02121101|-0.13868116|-0.21681701|-0.00052963|-0.00055516|0.00039231|-0.00024775|0.00024768|0.00014985|-0.00015712|-0.00033662|0.00027139|-0.00000535|-0.00001943|-0.00008856|0.00003726|0.00005782|0.00009411|0.00001090|-0.00000325|-0.00000173|-0.00004095|0.00001678|0.00001950|0.00000120|-0.00000892|0.00000786|-0.00000354|0.00002692|-0.00000997|-0.00003651|-0.00002082|-0.00000395|0.00001012|-0.00001690|0.00004232|0.00199721|0.00895946|0.01394894|0.02425781|0.15580139|0.23142558|0.00002078|0.00008917|-0.00001399|0.00006001|-0.00018149|-0.00001698|0.00099566|0.00042306|-0.00015106|-0.00248156|-0.00054323|-0.00460820|-0.00218224|0.00339794|0.00043453|-0.02458507|-0.00966629|0.02304692|-0.20939007|-0.03279678|0.13698170|0.00040777|-0.00092786|-0.00015873|0.00012614|0.00037808|-0.00032588|-0.00025020|-0.00135371|0.00019315|0.00011953|0.00007288|-0.00004136|-0.00001548|0.00011226|0.00004453|0.00000896|-0.00001154|-0.00000569|-0.00004688|0.00002729|0.00001683|-0.00000095|-0.00000601|0.00000491|-0.00001411|0.00002314|-0.00000510|-0.00012404|-0.00005644|0.00002933|-0.00000690|-0.00004038|0.00018188|0.00451243|-0.00042508|-0.00380476|0.00417629|0.00191089|-0.00218270|0.22823025|0.00000055|-0.00002053|-0.00000280|0.00001255|0.00002185|0.00002663|-0.00000407|-0.00010011|0.00001213|0.00059039|0.00005048|0.00006982|-0.00123399|0.00030796|0.00018591|0.00139756|0.00029346|-0.00411672|-0.03281476|-0.06645651|0.03305367|-0.00006880|-0.00019374|0.00016444|0.00030322|0.00016076|0.00002515|0.00001199|0.00027933|-0.00013487|0.00000321|-0.00005816|-0.00005620|-0.00001110|-0.00000181|0.00005829|-0.00000833|-0.00000393|0.00000498|0.00000251|0.00000266|-0.00000178|0.00000061|-0.00000011|0.00000140|0.00000352|0.00000493|-0.00000426|-0.00001687|-0.00000559|0.00000340|0.00000948|-0.00001103|-0.00001243|-0.02692340|-0.00259741|0.02286616|0.02019050|0.00529625|-0.01681845|0.03860820|0.06346862|0.00000519|0.00001320|-0.00000488|0.00005258|-0.00004136|-0.00003255|0.00042760|0.00004048|-0.00009998|-0.00080487|-0.00045227|-0.00243017|-0.00163295|0.00083390|0.00026906|-0.01481631|-0.00480269|0.01669529|0.13649828|0.03294148|-0.18146096|0.00086060|0.00022272|-0.00004483|0.00035387|0.00034683|0.00004005|0.00004722|-0.00063126|0.00013913|0.00004531|-0.00000561|-0.00008240|0.00005160|-0.00000630|0.00012802|0.00000481|0.00000199|0.00000076|-0.00000480|0.00000092|0.00000370|-0.00000644|-0.00000125|0.00000776|0.00000373|0.00000365|0.00001359|-0.00003611|-0.00001593|0.00002746|-0.00000121|-0.00001905|0.00009800|0.00838573|0.00098097|-0.00838444|0.02086026|0.00569923|-0.01877476|-0.14987358|-0.03520141|0.19398190|0.00000756|-0.00000202|-0.00002472|0.00008087|-0.00000475|0.00008008|0.00018571|-0.00023542|-0.00028297|-0.00116018|-0.00013507|-0.00015902|0.00046741|-0.00024412|-0.00034876|-0.00107552|0.00212560|0.00245228|-0.00000987|-0.00011724|-0.00036767|-0.01274466|-0.00154938|-0.00601872|-0.34512974|-0.03600504|-0.09638427|0.00392868|-0.00300358|-0.00199566|0.00066425|0.00021287|-0.00001425|-0.00008280|-0.00001234|0.00037265|-0.00001553|-0.00001142|0.00000737|-0.00001409|0.00001329|0.00000679|-0.00000384|0.00000194|0.00001701|0.00002250|0.00000869|0.00000903|-0.00011652|-0.00005782|0.00007588|-0.00005735|-0.00001600|0.00003126|0.00032097|0.00013419|0.00022005|0.00006005|0.00018473|0.00042187|0.00018515|0.00019811|-0.00024788|0.36382050|-0.00003771|-0.00012278|-0.00003628|-0.00022274|0.00012231|0.00019476|0.00007792|-0.00037618|-0.00000744|-0.00075800|-0.00052763|0.00003003|-0.00101907|0.00063604|0.00039540|0.00111711|0.00044462|-0.00362260|-0.00030215|-0.00015215|0.00042616|-0.03341465|0.00209986|-0.01094945|-0.03098312|-0.07027106|-0.00040339|-0.00090561|-0.00227668|0.00526868|-0.00038158|-0.00089679|-0.00048098|-0.00002625|0.00010420|-0.00005075|-0.00004397|-0.00000336|0.00003193|-0.00000063|0.00001176|-0.00000327|-0.00000080|0.00000381|0.00000935|0.00001208|0.00000561|-0.00000719|-0.00011134|-0.00004119|0.00003927|-0.00004400|-0.00001940|0.00003232|0.00013140|0.00011792|-0.00015598|0.00011520|-0.00015115|0.00027405|0.00054842|-0.00051708|-0.00002322|0.04080867|0.06442869|-0.00004021|-0.00014497|-0.00003503|-0.00021729|0.00010435|0.00016064|-0.00017123|-0.00002148|0.00041673|0.00144916|0.00001822|0.00061260|-0.00221144|-0.00024113|0.00126490|0.00334795|-0.00177196|-0.00861211|-0.00029891|0.00041976|0.00069903|0.00675470|0.00061802|0.00750629|-0.09750808|-0.00244985|-0.07482068|-0.00452973|0.00483384|0.00940730|-0.00163914|-0.00086485|-0.00085205|0.00014596|-0.00009862|-0.00028631|-0.00004696|-0.00000533|0.00003057|0.00002394|0.00000200|-0.00001364|0.00000931|0.00000452|-0.00000564|-0.00002927|0.00000657|-0.00002923|0.00007405|0.00000235|-0.00006740|0.00003759|-0.00001078|0.00000425|0.00018882|-0.00013779|-0.00019909|-0.00014293|0.00031090|-0.00048603|0.00020595|-0.00007617|-0.00006170|0.10615252|0.00132491|0.06468074|-0.00000539|0.00003055|0.00000747|-0.00010071|-0.00002605|-0.00009911|0.00006968|0.00006285|0.00010039|0.00053388|0.00025558|-0.00008779|-0.00058520|-0.00127554|0.00154162|-0.00063789|-0.00289861|-0.00507170|-0.00033863|-0.00002694|0.00008811|0.01524739|-0.01665397|0.00879052|-0.12806258|0.10501893|-0.06901935|-0.00062414|0.00083311|0.00250641|-0.00021170|-0.00020876|-0.00002021|0.00006716|0.00005502|-0.00015621|0.00001711|0.00000592|-0.00000401|-0.00000171|-0.00000594|-0.00000079|-0.00000115|-0.00000549|-0.00000316|-0.00000954|-0.00000029|0.00000052|0.00001094|0.00002648|-0.00001616|0.00002609|-0.00000896|0.00000231|0.00021911|0.00006321|0.00005117|0.00001443|0.00004343|0.00024281|0.00023871|-0.00016153|-0.00016467|-0.00857440|0.02503347|-0.01355790|0.12220176|-0.00000754|0.00006505|-0.00000377|-0.00014048|-0.00004410|0.00001487|0.00022796|0.00033487|-0.00015910|-0.00054425|0.00084065|-0.00052311|0.00174867|-0.00292684|0.00028993|-0.00615236|0.00099109|0.00303161|-0.00023752|-0.00016124|-0.00019283|0.01609146|-0.02057785|0.01618697|0.10067718|-0.25226820|0.11321185|0.00201900|0.00011249|-0.00184471|0.00017250|-0.00020682|0.00039015|-0.00018132|0.00024487|-0.00010271|0.00001625|0.00000078|-0.00000797|-0.00003132|0.00001062|0.00001380|0.00000093|-0.00000593|-0.00000432|0.00000052|0.00001108|-0.00000778|-0.00003610|0.00000421|0.00000006|0.00000004|-0.00000053|0.00000033|0.00015725|-0.00002625|0.00007336|0.00001766|0.00002978|0.00009744|0.00008306|0.00002739|-0.00004089|-0.00235250|0.00724560|-0.00217298|-0.11031969|0.26653173|0.00003135|0.00009369|0.00003916|0.00030968|-0.00013952|-0.00014674|-0.00020473|-0.00007226|-0.00015629|-0.00096235|0.00065155|0.00015204|0.00261776|-0.00032408|-0.00273552|-0.00413790|0.00294358|0.01301421|0.00011985|-0.00017674|-0.00033102|-0.00441832|0.00302227|0.00488662|-0.06801206|0.11561952|-0.10956689|0.00332724|-0.00280487|-0.00555448|0.00104128|0.00115477|0.00098389|-0.00005031|-0.00025534|0.00015754|0.00001996|-0.00000770|-0.00003600|0.00001042|-0.00000825|0.00000934|0.00000863|0.00001510|-0.00002435|-0.00001913|-0.00005843|-0.00001590|0.00001676|-0.00002277|0.00002094|-0.00004207|0.00003241|-0.00002662|0.00003482|0.00004200|0.00000066|-0.00003332|-0.00001494|0.00013886|0.00005440|0.00002307|-0.00001887|-0.00351925|0.00764293|-0.00016549|0.07454377|-0.12750988|0.10068631|-0.00007918|0.00006719|-0.00020985|0.00081791|0.00056441|-0.00008723|-0.00037918|-0.00053833|-0.00011487|0.00425555|-0.00089584|0.00233625|-0.00101597|0.00059222|-0.00031932|-0.00392151|-0.00062803|0.00002654|0.00024100|0.00109766|-0.00061584|-0.00547725|0.00359900|-0.03457115|-0.00026728|0.00110784|0.00034011|-0.06694610|0.00420363|-0.03706982|0.00646142|-0.00302392|0.02870926|-0.00587367|0.00125396|0.00267981|-0.00004316|-0.00001579|-0.00001237|0.00000793|-0.00000658|0.00003086|0.00011461|0.00004444|-0.00008817|-0.00074020|-0.00035952|0.00007889|0.00000906|-0.00003579|-0.00000881|0.00002078|-0.00000996|0.00001402|-0.00037212|0.00007342|-0.00014464|0.00006805|-0.00002813|0.00011191|0.00010625|-0.00008632|0.00006015|-0.00062240|0.00053236|0.00191540|0.00068117|-0.00111297|-0.00100944|0.07123538|0.00000053|0.00008736|-0.00007040|0.00003700|-0.00028570|0.00038079|0.00151173|-0.00184405|0.00185226|0.00739233|-0.01709892|0.03713549|-0.00091018|-0.00472411|0.00222684|-0.00233014|-0.00139046|0.00032389|0.00017328|0.00064202|-0.00047072|-0.00101516|0.00427613|-0.01096150|-0.00059744|0.00076057|-0.00024010|0.00333912|-0.05854244|0.03516056|-0.00192095|0.00329193|-0.01715084|0.00379278|-0.00015563|-0.00176792|0.00005960|0.00000972|0.00001399|-0.00005375|0.00002628|0.00000802|-0.00000283|-0.00007544|0.00001548|-0.00028685|0.00036479|0.00006648|-0.00018810|-0.00014389|0.00012658|-0.00090520|-0.00017133|0.00055116|-0.00016756|0.00007557|-0.00006934|0.00013634|0.00001645|0.00010223|0.00022670|0.00002628|0.00005909|0.00001242|0.00004242|0.00039051|0.00014378|-0.00028858|-0.00002024|-0.00741074|0.07514781|0.00041294|0.00007801|0.00035404|-0.00097300|-0.00015430|-0.00055756|-0.00095462|0.00013997|-0.00034052|-0.00045600|0.00819842|0.00339921|0.00129762|-0.00056339|-0.00032250|-0.00054336|-0.00058516|-0.00043408|0.00008829|0.00018988|-0.00015156|-0.00176902|0.00125068|-0.00659781|0.00003627|0.00080315|0.00147406|-0.03372188|0.03764306|-0.33474275|-0.00551488|0.00309518|-0.01861464|0.00504078|-0.00159837|-0.00109136|0.00006188|0.00002860|-0.00002828|0.00001782|-0.00001425|-0.00004230|-0.00016079|-0.00004584|0.00018976|0.00054128|0.00034731|0.00080782|0.00022458|0.00011248|-0.00009844|0.00018920|-0.00005370|-0.00005034|-0.00009701|-0.00000019|-0.00004013|-0.00002471|-0.00001043|-0.00001136|-0.00006014|-0.00001839|0.00001057|-0.00034275|-0.00005757|0.00076853|0.00016076|-0.00080018|-0.00072576|0.03701287|-0.04659054|0.35628451|0.00146299|0.00027904|-0.00034243|0.01136182|-0.02213648|0.01121487|-0.00506287|-0.00422883|-0.00026194|-0.00479057|0.00344663|0.00266470|0.00080352|0.00084572|-0.00028667|0.00007151|-0.00019731|0.00003010|0.00000960|-0.00002507|0.00004659|0.00094371|0.00080479|0.00089822|-0.00039281|-0.00025693|-0.00014245|-0.00745957|0.02505795|-0.01432732|-0.09726945|0.07349683|-0.03779031|0.00009530|0.00564891|-0.01105686|-0.00005747|0.00020281|-0.00015088|-0.00020901|0.00044042|-0.00003512|-0.00007610|-0.00004519|0.00013677|0.00113581|0.00136989|0.00014408|0.00123916|-0.00107104|0.00022570|0.00026886|-0.00002279|0.00001950|-0.00001360|0.00000739|-0.00000996|-0.00001179|-0.00001927|-0.00001689|-0.00006115|0.00000401|-0.00000809|0.00005849|-0.00022186|-0.00007862|-0.00022468|-0.00017167|0.00029161|0.00145751|-0.00087988|0.00011591|0.09602818|0.00050390|-0.00010730|-0.00043301|0.01273427|-0.02031162|0.01097849|-0.00357904|-0.00345630|-0.00142836|0.00123910|-0.00219907|-0.00061272|-0.00056090|0.00021945|-0.00055988|0.00015963|-0.00004430|0.00005491|-0.00002404|0.00008738|-0.00004949|0.00000482|-0.00049564|-0.00063969|0.00028980|0.00003986|0.00021066|0.00127883|-0.00798516|0.00677362|0.07332695|-0.24028600|0.09366244|-0.00409895|0.01476820|-0.00478503|-0.00034669|0.00023459|0.00003152|-0.00083215|0.00042559|0.00032184|0.00003325|0.00010179|-0.00001974|0.00001221|0.00062997|-0.00089935|0.00094480|-0.00113880|0.00026961|0.00007912|-0.00009802|0.00019498|0.00000108|-0.00000897|0.00000835|0.00006484|0.00001814|0.00004769|0.00008743|0.00000074|0.00001406|-0.00001116|0.00013614|-0.00003649|0.00005818|0.00021382|-0.00009730|0.00029460|0.00020926|-0.00102836|-0.08178242|0.25706485|-0.00037636|0.00034253|-0.00032332|-0.00046123|-0.00059547|0.00079234|0.00108612|-0.00059276|0.00039368|0.00332841|-0.00258293|-0.00026507|-0.00043375|-0.00094887|0.00034410|0.00011906|0.00011289|-0.00004155|0.00000809|-0.00003911|-0.00005566|-0.00026913|-0.00054485|-0.00030783|0.00005310|0.00051943|0.00004114|0.00511745|-0.01453646|0.00762424|-0.03868633|0.09857826|-0.11318112|-0.01884468|0.02611402|-0.03606331|0.00017482|-0.00011059|0.00008940|0.00034985|-0.00009232|-0.00007288|-0.00015758|-0.00014976|0.00018824|0.00055265|-0.00030680|0.00106377|-0.00018466|0.00002645|0.00008146|0.00004305|-0.00042828|0.00018762|0.00001832|-0.00000455|0.00000585|0.00009232|0.00003989|0.00003231|0.00002676|0.00000714|0.00003669|0.00004827|-0.00000725|0.00005074|0.00001653|-0.00008864|-0.00002096|-0.00058737|-0.00032263|0.00139957|0.04842594|-0.10411312|0.13548620|-0.00036401|-0.00108811|0.00017115|0.00083415|0.00004496|0.00034393|0.00002277|-0.00009961|0.00016968|0.00019761|0.00004955|0.00011243|-0.00027366|-0.00007924|-0.00011732|0.00017198|-0.00013983|0.00009502|0.00002395|0.00001748|-0.00000752|-0.00035177|-0.00016424|0.00052821|0.00009121|0.00054487|0.00031487|-0.00067954|-0.00102053|-0.00256809|0.01188825|-0.00465227|-0.00993820|-0.32668443|0.11616241|0.16232534|-0.00001115|0.00023145|-0.00002818|-0.00045696|0.00017813|-0.00021071|-0.00097324|-0.00135124|-0.00042510|-0.00004723|0.00022292|0.00013139|0.00002806|-0.00001331|-0.00001351|-0.00001603|0.00002967|0.00002994|-0.00000889|0.00001673|0.00000173|0.00001989|-0.00001249|0.00001117|-0.00000310|-0.00000060|-0.00000287|0.00000631|-0.00001685|-0.00003055|-0.00000268|-0.00001915|0.00000042|0.00050336|-0.00017572|-0.00046593|0.00063034|-0.00023897|-0.00025729|0.34144411|-0.00065430|0.00055194|-0.00176933|0.00126915|-0.00030701|-0.00147577|0.00064399|-0.00009220|-0.00005632|-0.00052806|0.00042259|0.00076953|0.00026458|-0.00013932|0.00016665|-0.00024556|-0.00013364|-0.00019817|-0.00004469|-0.00005371|-0.00002697|-0.00076180|0.00000744|0.00059808|0.00007174|0.00028386|0.00016910|-0.00218203|0.00127006|-0.00202791|0.00776375|-0.00460408|0.00403710|0.15203869|-0.11908269|-0.12782944|0.00028286|0.00011703|0.00091504|0.00004546|-0.00009572|0.00013955|-0.00123443|-0.00133871|0.00117556|-0.00030565|0.00010519|0.00041916|-0.00008159|-0.00008451|-0.00000874|0.00001613|-0.00038677|-0.00005965|0.00002468|-0.00002274|0.00000790|0.00000062|0.00002296|0.00000213|0.00001337|0.00000868|0.00001647|0.00003636|0.00001147|0.00000497|-0.00000822|-0.00001833|-0.00001295|0.00060151|-0.00028426|-0.00060579|-0.00115282|0.00097957|-0.00025562|-0.12929952|0.10995691|-0.00000656|-0.00049628|0.00069484|0.00022561|0.00011079|0.00063865|0.00013405|0.00017939|0.00014739|0.00011673|-0.00016483|0.00030452|-0.00056998|-0.00017712|-0.00007223|0.00037306|0.00017024|-0.00005800|0.00003140|-0.00001235|0.00002874|-0.00109866|-0.00012324|0.00005024|0.00010712|0.00036362|0.00042989|-0.00366027|0.00015485|-0.00783572|0.03747516|-0.01997451|-0.02018106|0.13497805|-0.09133942|-0.14147642|-0.00005589|0.00030925|0.00005201|-0.00055476|0.00012944|-0.00019818|0.00022015|0.00031809|0.00039844|0.00004394|0.00033889|-0.00000847|-0.00009322|0.00006468|0.00000680|-0.00012774|0.00007505|0.00008555|-0.00000176|0.00001497|0.00000788|0.00002774|-0.00001389|0.00001138|-0.00001045|-0.00000151|-0.00000582|0.00002705|0.00003451|-0.00006319|0.00001155|0.00000680|-0.00007037|0.00170987|-0.00110554|-0.00100729|0.00041159|0.00135742|0.00186852|-0.16700593|0.10736989|0.16451945|0.00017387|-0.00001004|0.00007277|-0.00008495|0.00101541|-0.00103278|0.00052506|0.00026997|-0.00033003|-0.00095649|0.00045956|-0.00038908|0.00111214|-0.00035870|0.00059438|-0.00046831|0.00002805|-0.00002999|-0.00004607|-0.00001103|0.00014374|0.00019680|0.00218428|0.00174136|-0.00087549|-0.00121332|-0.00001010|0.00056541|0.00078967|0.00077882|-0.00550690|-0.00705027|-0.00166378|-0.29331937|-0.20020990|-0.00547289|0.00005693|0.00000071|-0.00011097|0.00001969|0.00002855|0.00008635|-0.00020859|0.00000289|-0.00012174|0.00011860|-0.00026377|0.00026306|-0.00006522|0.00001995|0.00009054|0.00001685|-0.00013766|0.00019717|0.00001127|-0.00005504|-0.00002275|-0.00016321|0.00000836|-0.00011987|-0.00002620|-0.00000665|-0.00005714|-0.00020155|0.00011370|0.00019689|0.00005294|0.00009440|-0.00001907|-0.00024198|0.00001891|-0.00011611|0.00006227|0.00036152|0.00079761|-0.02598932|-0.02657422|-0.00270785|0.32524180|0.00039760|0.00011134|-0.00004800|-0.00015963|0.00114757|-0.00317790|-0.00082715|0.00024833|0.00033529|0.00085635|-0.00045033|0.00024984|-0.00088473|0.00022739|-0.00042674|0.00062274|-0.00045149|0.00009692|0.00005613|-0.00003781|-0.00009887|0.00053549|-0.00074011|-0.00033972|-0.00022018|0.00105441|0.00065532|-0.00133950|-0.00020193|-0.00059169|-0.00176183|-0.00721251|0.00650478|-0.24889150|-0.23070579|-0.03939688|-0.00011084|0.00001235|0.00004909|-0.00014202|0.00003318|-0.00014054|0.00025217|0.00001739|-0.00004709|-0.00076842|-0.00074199|-0.00028496|0.00010077|-0.00000156|-0.00009327|-0.00001584|0.00016418|-0.00018183|-0.00000575|0.00003745|0.00000757|0.00021372|0.00003249|0.00009195|0.00000692|0.00001662|0.00006623|0.00002098|-0.00005502|-0.00000853|-0.00003052|-0.00013938|0.00028436|0.00011968|0.00002819|0.00023971|0.00060717|0.00100183|-0.00002064|0.02087354|0.01290598|0.00241083|0.23049465|0.22369923|0.00075137|0.00072637|-0.00067141|-0.00071895|0.00055080|-0.00899721|-0.00039963|0.00038481|-0.00002452|0.00030404|0.00016733|0.00029633|-0.00020770|0.00065024|-0.00058786|0.00032486|-0.00044501|0.00054615|0.00007499|0.00027767|0.00004257|0.00065209|-0.00166222|-0.00053448|0.00039160|0.00096111|0.00001744|-0.00043742|-0.00058530|0.00131218|-0.03632131|-0.03161920|-0.00137318|0.01317474|-0.02073531|-0.06337172|0.00007143|0.00004694|0.00034481|-0.00007167|-0.00000720|0.00006028|-0.00007033|-0.00010644|0.00078626|-0.00142459|-0.00210031|-0.00017224|0.00017000|-0.00003243|0.00012335|0.00017441|-0.00015652|0.00013372|-0.00004519|0.00003159|-0.00004971|-0.00012369|-0.00006607|-0.00001939|0.00003773|-0.00005719|-0.00005061|-0.00021618|0.00010104|0.00009523|0.00013711|0.00014170|-0.00049434|-0.00018705|0.00035642|0.00016862|-0.00011804|0.00077692|0.00064582|0.01683591|0.01853550|0.00173244|0.00724147|0.03386477|0.07004147| 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| 72.7291 110.6662 172.4931 177.6985 211.4750 249.2363 279.9281 289.7527 303.3963 345.5182 371.4564 380.0518 440.2892 510.6742 573.8637 617.2070 650.9170 696.6590 740.5938 789.8715 829.1293 878.4293 884.1733 923.8765 984.6131 1006.6784 1032.7761 1044.9070 1048.3636 1081.2732 1121.1159 1129.1637 1166.4936 1188.2766 1220.9491 1258.7322 1288.3811 1295.3944 1303.2617 1323.7049 1358.0985 1416.2263 1442.0390 1467.8679 1477.6172 1490.8043 1515.4259 1544.9123 1551.3986 1569.1559 1574.2186 1591.9336 1623.1058 1632.0936 1643.1503 1654.8656 1669.8778 1839.3525 1873.8789 1895.3321 3150.8281 3190.7479 3201.4805 3204.5551 3230.8252 3234.6460 3254.6084 3255.9797 3273.2319 3280.9535 3312.6992 3332.4520 3409.0027 3744.2574 3825.0738 3.2731 3.2120 2.1377 1.5459 1.9526 1.2005 2.4986 2.3239 3.1781 1.3629 1.9008 2.9554 3.9616 3.7269 3.1777 3.0823 3.4070 2.7689 3.2580 4.1014 1.5941 2.7494 2.7279 2.7359 1.6165 2.8229 1.3793 1.4609 1.6261 1.7668 1.6743 1.9544 1.5172 2.4123 2.5357 2.1921 1.8579 2.0819 2.1395 2.4034 1.4107 1.3494 1.2934 1.3665 1.8404 1.6102 2.1683 1.3655 1.4563 1.4506 1.6413 1.2088 1.0453 1.0698 1.0470 1.0535 1.0929 1.1011 6.6389 7.9199 1.0852 1.0791 1.0442 1.0395 1.0793 1.0670 1.1017 1.1010 1.1066 1.1051 1.1006 1.0622 1.1168 1.0510 1.0936 0.0102 0.0232 0.0375 0.0288 0.0514 0.0439 0.1154 0.1150 0.1724 0.0959 0.1545 0.2515 0.4525 0.5726 0.6166 0.6918 0.8505 0.7918 1.0528 1.5076 0.6457 1.2500 1.2565 1.3759 0.9233 1.6855 0.8668 0.9398 1.0530 1.2170 1.2399 1.4681 1.2163 2.0068 2.2272 2.0464 1.8170 2.0583 2.1410 2.4812 1.5330 1.5946 1.5846 1.7347 2.3675 2.1086 2.9339 1.9202 2.0651 2.1044 2.3964 1.8049 1.6225 1.6790 1.6655 1.6998 1.7955 2.1949 13.7350 16.7626 6.3476 6.4732 6.3056 6.2895 6.6380 6.5774 6.8757 6.8773 6.9851 7.0090 7.1162 6.9500 7.6469 8.6811 9.4277 0.4610 0.2773 1.2074 0.6322 4.2065 2.4284 3.3254 8.5937 2.6280 39.0856 15.0932 9.3774 2.1902 5.9582 4.6406 2.9387 7.3892 2.0074 3.2433 25.2087 4.0124 33.3027 4.6060 24.9827 35.3523 18.0176 8.3349 29.2249 54.5323 15.2966 2.8049 5.4863 0.8091 5.8766 18.3334 20.0863 18.7519 46.9707 0.6918 15.3731 9.6905 20.4462 1.1492 8.0607 8.5956 3.6369 4.6538 11.4763 8.1498 0.1012 8.7539 5.1805 6.5560 2.4103 4.5520 3.3700 7.0512 59.8794 9.4881 9.6217 61.3089 27.3139 45.4232 29.6163 61.4589 53.9895 27.3571 46.1047 5.7077 76.6850 12.4334 7.9394 13.4364 0.5746 1.5720 1.7601 2.1633 2.8975 1.0613 0.4591 0.1676 1.9231 0.6519 1.2959 1.2566 0.2585 4.6249 4.9521 2.9874 1.5462 5.9517 11.9791 7.6860 1.9417 2.7291 4.8110 2.1793 10.6889 3.3975 6.6153 1.9285 2.8767 2.1445 5.8482 3.9646 5.6856 12.0499 2.1098 3.7264 3.8718 6.7816 6.5554 9.4986 3.5121 4.3298 8.2091 5.2310 11.7199 9.1014 12.4386 2.7988 14.4222 4.3350 1.2171 2.7658 12.6506 51.1149 17.9286 14.2569 18.8306 10.8921 12.3209 5.5435 9.4444 260.8923 61.1089 44.0629 112.5645 135.4343 51.2898 182.6914 75.6058 97.6617 19.7420 86.4723 70.7677 87.7070 74.6764 82.8723 46.4770 0.7484 0.6365 0.6333 0.7231 0.3858 0.5043 0.7493 0.6526 0.7303 0.7385 0.4617 0.3369 0.3521 0.2182 0.6080 0.6996 0.3380 0.4445 0.5423 0.3461 0.7280 0.7188 0.0405 0.2725 0.6378 0.4009 0.4764 0.5304 0.7172 0.7491 0.4467 0.3219 0.7484 0.6801 0.2622 0.6995 0.6155 0.5201 0.7471 0.7071 0.6911 0.5553 0.3566 0.6473 0.1900 0.6803 0.4456 0.2216 0.7396 0.5086 0.5921 0.4213 0.7334 0.7500 0.7074 0.7496 0.7468 0.6541 0.6897 0.2559 0.4977 0.7160 0.0326 0.0357 0.7139 0.0774 0.7496 0.6713 0.7153 0.6691 0.6461 0.1146 0.7319 0.1414 0.7155 0.8561 0.7779 0.7755 0.8393 0.5568 0.6704 0.8567 0.7898 0.8442 0.8496 0.6318 0.5040 0.5208 0.3583 0.7562 0.8232 0.5052 0.6154 0.7033 0.5143 0.8426 0.8364 0.0778 0.4282 0.7789 0.5724 0.6453 0.6931 0.8353 0.8566 0.6175 0.4871 0.8561 0.8096 0.4155 0.8232 0.7620 0.6843 0.8552 0.8284 0.8173 0.7141 0.5257 0.7859 0.3193 0.8098 0.6165 0.3628 0.8503 0.6743 0.7438 0.5929 0.8462 0.8571 0.8287 0.8569 0.8551 0.7909 0.8163 0.4076 0.6646 0.8345 0.0631 0.0688 0.8331 0.1437 0.8569 0.8033 0.8340 0.8017 0.7850 0.2056 0.8452 0.2477 0.8341 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 6 7 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 12.00000 14.00307 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 982.78422 2488.13268 2908.34630 0.99997 -0.00674 -0.00454 0.00664 0.99975 -0.02113 0.00469 0.02110 0.99977 1 0.08813 0.03481 0.02978 1.83636 0.72534 0.62054 104.64 159.22 248.18 255.67 304.27 358.60 402.75 416.89 436.52 497.12 534.44 546.81 633.48 734.75 825.66 888.02 936.52 1002.34 1065.55 1136.45 1192.93 1263.86 1272.13 1329.25 1416.64 1448.39 1485.93 1503.39 1508.36 1555.71 1613.04 1624.61 1678.32 1709.67 1756.67 1811.03 1853.69 1863.78 1875.10 1904.52 1954.00 2037.63 2074.77 2111.93 2125.96 2144.93 2180.36 2222.78 2232.12 2257.67 2264.95 2290.44 2335.29 2348.22 2364.13 2380.98 2402.58 2646.42 2696.09 2726.96 4533.34 4590.77 4606.22 4610.64 4648.44 4653.93 4682.66 4684.63 4709.45 4720.56 4766.24 4794.66 4904.79 5387.15 5503.43 0.254533 0.265334 0.266278 0.218606 -512.574519 -512.563718 -512.562774 -512.610446 1.598927D-04 MUNgauss RevisionA2.1 retrievium 21-Dec-2022 GDB_13 Smiles: CC1CN2N=C(C)C(=C)C2C1N RHF 6-31G(d) (6D,10F) C1 165.126598 |X|Y|Z| 21.580721 15.235646 36.689624 22.934540 8 6 7 6 2 |36.858105| |12.491248|36.858105| |7.421326|12.425857|36.858105| |5.090543|8.083608|13.036337|53.358707| |4.027708|5.409977|7.977787|18.742115|53.358707| |3.546924|4.605224|5.688349|11.885565|20.560537|36.858105| |2.847763|3.426182|4.065651|7.168670|10.709313|12.733301|36.858105| |3.786408|5.111920|5.443340|11.155845|11.370854|12.873547|7.215898|36.858105| |3.192356|4.017770|4.009202|7.165686|7.320060|7.571007|6.038734|14.415964|36.858105| |5.018443|8.054990|7.930773|17.608748|11.107872|8.110648|5.004017|12.621548|7.463521|36.858105| |7.313495|12.362830|7.935180|10.805014|7.781834|5.515715|3.948165|7.234777|5.592160|12.368974|36.858105| |6.436365|7.733856|6.417430|8.388244|7.375901|5.518533|4.196174|6.602206|5.407159|7.717734|13.112784|53.358707| |17.546627|8.820255|6.693509|6.191715|4.992035|3.167424|2.597206|3.273270|2.781950|4.220868|5.398847|6.522319|0.500000| |17.527934|8.778493|5.431959|5.755688|4.663348|3.145542|2.577052|3.473498|3.050514|4.484611|6.630347|7.933964|0.302273|0.500000| |17.568544|8.773489|6.762599|6.480448|5.497273|3.591809|2.942838|3.721381|3.152494|4.624695|6.561163|9.587467|0.302259|0.300420|0.500000| |8.930729|17.502770|8.902619|9.577404|6.404582|4.072853|3.092602|4.606318|3.745809|7.225832|8.958177|7.703249|0.215479|0.212575|0.173583|0.500000| |6.377366|8.703341|17.575749|12.305669|8.709484|4.642078|3.538500|4.350439|3.369437|5.875745|5.682788|6.435147|0.184737|0.133899|0.156886|0.219786|0.500000| |7.010678|8.798917|17.586509|12.331862|10.559764|5.632778|4.223790|5.034533|3.797649|6.335183|6.755159|9.146540|0.174519|0.141685|0.208863|0.174454|0.300584|0.500000| |2.735680|3.221825|3.957902|6.642120|10.198839|8.976700|17.615730|5.426949|4.542323|4.286860|3.514455|5.077326|0.070641|0.068053|0.079111|0.080874|0.098596|0.117220|0.500000| |2.783203|3.251386|3.699687|6.125202|8.267869|8.913164|17.543077|6.478349|5.984475|4.530155|3.837137|5.906809|0.069765|0.070775|0.081405|0.080552|0.088669|0.109486|0.299973|0.500000| |2.539751|3.042469|3.500584|6.168560|8.288568|8.901700|17.536435|6.423492|5.997494|4.477104|3.496784|4.872046|0.064925|0.064899|0.071710|0.078593|0.086948|0.097719|0.300318|0.301897|0.500000| |2.762392|3.339492|3.422685|5.909273|6.471094|6.794503|6.582087|9.087939|17.717848|5.413569|4.339586|6.041330|0.068033|0.073370|0.077005|0.086651|0.081928|0.092653|0.133126|0.191569|0.196024|0.500000| |3.159469|3.919371|3.676208|6.229027|5.926882|5.463671|4.503983|9.077308|17.702463|6.698794|5.549480|6.985899|0.076137|0.086412|0.085245|0.104258|0.087013|0.095280|0.100551|0.125640|0.125474|0.289263|0.500000| |4.470062|6.828203|6.289743|12.341460|8.347901|6.101502|4.203671|8.878051|6.633694|17.564139|8.861751|7.720470|0.108273|0.115740|0.110286|0.201911|0.145505|0.137576|0.101802|0.105367|0.110821|0.136498|0.182842|0.500000| |6.329944|8.724963|5.680708|7.850590|6.026827|4.444494|3.384591|5.978111|5.258239|8.758684|17.462360|12.183622|0.134216|0.183650|0.152633|0.222826|0.126282|0.137001|0.083632|0.092514|0.086264|0.113668|0.159794|0.226554|0.500000| |6.972411|6.905895|5.389915|6.579021|5.842299|4.291827|3.481059|4.933954|4.345529|5.689678|9.356494|25.901020|0.139658|0.187784|0.226772|0.144724|0.117086|0.159263|0.088172|0.101080|0.084257|0.103015|0.119423|0.128094|0.220501|0.500000| |4.839286|5.705835|5.074682|7.322595|6.921598|5.719567|4.506871|7.337322|6.576812|7.117415|9.357832|25.901790|0.106568|0.127761|0.143956|0.127984|0.109458|0.145850|0.107071|0.135108|0.107559|0.148807|0.172426|0.149971|0.214949|0.328416|0.500000| 512.402597 -2697.323903 993.875798 -72.058142 -1263.103650 750.274596 -512.829054 2.000832 4040000000000000 4195EABE9BFFFFFB 412F2BB9C16C16BA 40B1D20000000000 4024000000000000 413B63F900000000