Version2.5 2022-12-21T09:23:09Z 10.1021/ja902302h Gaussian16 RevisionB.01 DOC1ROB 28-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)C3CC23C1 RHF 6-31G(d) (6D,7F) CC1CN2N=C(C=C)C3CC23C1 C1[X(C10H14N2)] 72 C1 208 CC1CN2N=C(C=C)C3CC23C1 C=CC1=NN2C3(C1C3)CC(C2)C CC1CN2N=C(C=C)C3CC23C1 InChIKey=TVYPVVDQRCOXCL-UHFFFAOYSA-N InChI=1S/C10H14N2/c1-3-9-8-5-10(8)4-7(2)6-12(10)11-9/h3,7-8H,1,4-6H2,2H3 InChI=1/C10H14N2/c1-3-9-8-5-10(8)4-7(2)6-12(10)11-9/h3,7-8H,1,4-6H2,2H3 CC1CN2N=C(C=C)C3CC23C1 C01[X(C10H14N2)] 72 C1 208 CC1CN2N=C(C=C)C3CC23C1 CC[C@H]1N[N@@]2[C@]3([C@@H]1C3)C[C@H](C2)C CC[C@H]1NN2C[C@H](C)C[C@]23C[C@H]13 InChIKey=JZSRZJKWMWCGJX-ZYUZMQFOSA-N InChI=1S/C10H18N2/c1-3-9-8-5-10(8)4-7(2)6-12(10)11-9/h7-9,11H,3-6H2,1-2H3/t7-,8-,9-,10-/m1/s1 InChI=1/C10H18N2/c1-3-9-8-5-10(8)4-7(2)6-12(10)11-9/h7-9,11H,3-6H2,1-2H3/t7-,8-,9-,10-/m1/s1 4.952773721181D+02 -2.577929033757D+03 711.1743220247 -495.6351961 1-A 2211.7674 44 164 208 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -15.57689 -15.57593 -11.26207 -11.26115 -11.24334 -11.23419 -11.23191 -11.23046 -11.22835 -11.22763 -11.22289 -11.21704 -1.34611 -1.16005 -1.13686 -1.06903 -1.02182 -0.95888 -0.91802 -0.86982 -0.81355 -0.78617 -0.77475 -0.71874 -0.68389 -0.65074 -0.64412 -0.60643 -0.59749 -0.59045 -0.56506 -0.56339 -0.55706 -0.53868 -0.52545 -0.51470 -0.49159 -0.47383 -0.46947 -0.43428 -0.41984 -0.39348 -0.37971 -0.29837 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.12912 0.22656 0.23633 0.25297 0.26583 0.27722 0.29227 0.29480 0.30240 0.30712 0.31392 0.31793 0.33158 0.33385 0.34491 0.35668 0.36847 0.38089 0.39003 0.40491 0.41630 0.42765 0.44756 0.47790 0.48626 0.50771 0.51791 0.55277 0.56739 0.65779 0.69600 0.71351 0.72681 0.73297 0.75530 0.77024 0.77679 0.80217 0.81703 0.82359 0.85650 0.86155 0.88018 0.88520 0.88848 0.91271 0.92803 0.94158 0.95425 0.96200 0.97216 1.00015 1.01631 1.03257 1.04586 1.06283 1.08419 1.11158 1.12120 1.12389 1.13717 1.14161 1.14715 1.16081 1.16832 1.17251 1.17830 1.18416 1.19860 1.21332 1.22034 1.22990 1.23308 1.24984 1.26601 1.27227 1.31065 1.32634 1.37181 1.37384 1.42730 1.45938 1.52796 1.54961 1.56586 1.61171 1.62264 1.66297 1.68652 1.71346 1.78837 1.82956 1.84097 1.86727 1.89971 1.94928 1.96663 1.98518 2.01387 2.04757 2.07763 2.11554 2.12007 2.14751 2.18294 2.18749 2.20738 2.23877 2.24788 2.27781 2.29513 2.32430 2.33466 2.34312 2.36098 2.39412 2.42284 2.42698 2.45670 2.46973 2.49141 2.52058 2.53350 2.56812 2.58143 2.61263 2.63799 2.67390 2.68858 2.69754 2.74639 2.80112 2.80461 2.82862 2.85941 2.88167 2.93432 2.94895 2.99510 3.01672 3.04589 3.05142 3.08403 3.09514 3.11801 3.16384 3.21030 3.23843 3.27518 3.37408 3.49178 3.58678 4.42937 4.53868 4.58064 4.62082 4.67937 4.74178 4.77024 4.82474 4.95607 5.00018 5.09344 5.13260 11.63250 1.0626 1.3793 -1.8800 2.5624 |XX|YY|ZZ|XY|XZ|YZ| -67.7159 -71.2840 -73.6573 -0.7086 1.9516 -0.8051 |XX|YY|ZZ|XY|XZ|YZ| 3.1698 -0.3983 -2.7716 -0.7086 1.9516 -0.8051 |XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| -15.7739 2.7835 -3.7167 4.0884 -9.1150 -4.4375 -0.1222 4.0922 0.8754 1.0413 |XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY| -2101.2552 -596.9282 -259.2831 54.4713 33.8290 -2.8038 -4.8667 0.2834 -5.1452 -460.9188 -395.5998 -143.2489 -9.9180 -6.0453 -6.2159 0 |0.55678335|-0.02025337|0.64334583|-0.00250369|-0.00062593|0.64848643|-0.22644154|-0.02551490|-0.00187387|0.62274248|-0.02799804|-0.10324014|0.00025440|0.01336568|0.52467563|-0.00564193|-0.00015694|-0.09765170|-0.03695388|0.04548710|0.64392116|-0.01823238|0.01665775|-0.02624736|-0.10779191|0.03119093|-0.02997884|0.57293632|-0.00340993|0.00694653|-0.00951254|0.01934152|-0.11834231|0.03660096|-0.04282792|0.70505510|-0.00338194|-0.00269894|0.00130809|-0.02546404|0.04027757|-0.16058008|-0.09982734|0.01512234|0.58935751|-0.00033033|0.00513402|-0.00651617|-0.03676838|-0.01195547|-0.01238725|-0.18542629|-0.05089149|-0.04813904|0.68008320|0.00134920|-0.00183892|0.00220250|0.00236891|0.00524393|-0.00381566|-0.05580416|-0.16300192|-0.03137802|0.04283677|0.58187793|-0.00086787|0.00394175|-0.00368542|-0.03008190|-0.01049976|-0.00215403|-0.00320478|-0.00212713|-0.06771964|-0.03654295|-0.07422336|0.24528052|0.00001423|-0.00098615|0.00072413|0.00204220|0.00271978|-0.00024872|-0.04163895|0.00257797|0.02091322|-0.21871447|0.08118781|-0.00675032|0.55343011|-0.00036841|0.00177975|-0.00136774|-0.00269736|-0.00373236|0.00073291|-0.01894820|0.02071630|0.00778774|0.02493904|-0.15443476|0.01367867|0.10015820|0.60852903|-0.00005594|0.00070242|-0.00140962|-0.00449358|-0.00201461|-0.00098132|-0.00295170|0.00945148|-0.01028183|0.09200139|-0.05120998|-0.05958029|-0.23476690|-0.25704174|0.31407930|-0.00011387|0.00033369|-0.00072255|-0.00086162|-0.00119240|0.00066186|-0.00169658|0.00650506|0.00340255|-0.08451689|-0.01874321|0.05045556|-0.24186194|-0.13784477|0.14414614|0.76989468|0.00024927|-0.00068741|-0.00004711|-0.00084054|0.00101208|-0.00027278|0.00288437|-0.00115026|-0.00165132|0.00746705|0.00513353|0.01947582|-0.20666702|-0.38961773|0.21932648|0.03564252|0.69885433|0.00000941|-0.00036452|0.00049775|0.00137840|0.00116883|-0.00049325|-0.00313866|-0.00405114|0.00243006|0.04760296|0.01785964|-0.02504763|0.16612429|0.19868391|-0.23813279|-0.28195513|-0.24570795|0.46233664|-0.00002344|-0.00014925|0.00020721|0.00046814|0.00044207|-0.00005490|-0.00036128|-0.00138993|0.00142169|0.00970320|0.00052814|-0.00005700|-0.03822715|-0.01001518|0.01777664|-0.24522163|0.04847285|0.05966490|0.69351079|-0.00006290|0.00011795|0.00002907|0.00030310|-0.00021549|0.00008257|-0.00020337|0.00040540|0.00136558|-0.00248847|-0.00088256|0.00370640|-0.02766101|0.01732308|0.00444357|0.03666354|-0.11691960|0.01237598|-0.24624244|0.64526864|0.00006904|0.00003923|0.00004315|0.00019770|0.00011766|0.00023865|0.00282778|-0.00035377|-0.00118916|-0.00043397|0.01210203|0.01094147|0.02709128|-0.00515736|-0.01558081|0.06639255|0.00303923|-0.11559560|-0.06235516|-0.32600802|0.50203114|0.00003167|0.00009789|-0.00012611|-0.00020008|-0.00016460|0.00017476|0.00097210|0.00087504|-0.00070862|-0.00375547|0.00195644|0.00271416|0.00528272|0.00379415|-0.00574821|-0.02976682|0.02608348|-0.00689019|-0.31676683|0.24212798|-0.09637131|0.74899594|-0.00000270|0.00001236|0.00000786|-0.00000351|-0.00001908|-0.00005793|-0.00012822|0.00000329|-0.00005352|0.00028348|-0.00027997|0.00010058|-0.00436574|-0.00342958|0.00468277|0.01710520|0.00365862|-0.00515201|0.23572551|-0.36517527|0.16304415|-0.26067261|0.60870510|-0.00001595|-0.00002614|0.00005095|0.00011350|0.00002045|-0.00008490|-0.00051102|-0.00043722|0.00022777|0.00121550|-0.00119230|-0.00217771|0.00079928|0.00238552|0.00070990|0.00556941|-0.01158762|0.01575201|-0.09174956|0.16112251|-0.17264112|-0.09409074|-0.31871002|0.51711497|-0.00008808|-0.00022847|-0.00073201|0.00013112|-0.00059246|0.00019637|-0.00169818|0.00075532|-0.00030528|-0.00776621|-0.02261331|0.02418936|0.01436792|0.00402099|-0.01030781|-0.12538293|0.06467984|0.00050074|-0.00827437|0.02883096|-0.00261309|-0.00251645|-0.00061811|0.00312093|0.41662477|-0.00006780|0.00016913|-0.00006625|0.00016315|-0.00041011|-0.00040685|0.00073933|-0.00129031|0.00302225|-0.01441526|-0.01604914|0.01779842|0.00439272|-0.04792401|0.04112845|0.06242912|-0.19418718|0.02704435|0.00308861|0.00132732|-0.00007651|-0.00201061|0.00098172|0.00067043|-0.09904126|0.55097586|-0.00014021|0.00004112|-0.00007055|-0.00022487|-0.00033876|-0.00012489|-0.00203892|0.00034448|-0.00360272|-0.00140344|0.02327728|-0.02925278|0.02210445|0.03273460|0.01921398|-0.00929826|0.02934884|-0.11213406|0.00500308|-0.01228053|0.00787092|0.00283953|0.00047136|-0.00107057|-0.12607553|-0.16363081|0.68779829|0.00028626|-0.00132353|-0.00009012|-0.00398022|0.00161071|-0.00166225|-0.00074655|0.00066865|-0.00079310|-0.00025450|0.00668843|0.00297836|0.00132614|-0.00341022|0.00119875|-0.00316887|0.02248323|0.01580414|0.00032651|0.00002133|-0.00146167|-0.00081722|0.00009155|-0.00006743|-0.03363533|0.02885209|0.01132320|0.39098792|-0.00023267|0.00116595|-0.00011984|0.00307852|-0.00077491|0.00160590|0.00325883|-0.00325824|-0.00208954|-0.01352709|-0.02941098|-0.01699965|0.00842184|-0.00532327|0.00731232|-0.01235443|-0.01862581|-0.01950033|-0.00050686|0.00035160|0.00062686|0.00047633|-0.00004536|0.00014275|0.06567653|-0.10530532|-0.07631482|-0.06050676|0.72146188|0.00039564|-0.00125472|0.00043111|-0.00342225|0.00206652|-0.00076549|-0.00094858|0.00275622|-0.00058439|0.01224743|0.01306175|0.01530105|-0.00670356|0.00613969|-0.00070325|0.00796914|0.00105885|0.00962316|-0.00076063|0.00048959|-0.00131716|-0.00010159|-0.00021725|0.00025370|0.04814075|-0.04785452|-0.18644380|0.20115700|0.00769831|0.62958656|0.00020952|-0.00091111|-0.00056693|-0.01973532|-0.01683609|-0.00774592|0.00596884|-0.02541860|0.01079880|-0.11391191|0.00180498|-0.00766771|-0.02453572|0.03397436|0.00039193|-0.03993832|0.01865159|-0.00499098|-0.00115227|0.00219897|-0.00238031|-0.00042747|-0.00004847|0.00065899|-0.17703897|0.00059159|0.07144973|-0.14473875|-0.10272942|-0.09319431|0.75762170|0.00119727|-0.00960509|0.00021545|-0.03689104|-0.00404703|-0.01003778|-0.01558835|-0.03228629|0.00873218|0.00588591|-0.19312650|0.02677112|0.03035820|-0.03413351|0.01621942|0.02048823|0.01267044|-0.00235664|0.00007791|-0.00615184|-0.00143629|-0.00016617|-0.00002277|-0.00009408|-0.02908516|-0.05604411|0.04196195|-0.08418279|-0.17651947|-0.05365902|0.08213246|0.60846453|0.00017308|-0.00084709|-0.00095376|-0.01524895|-0.00753424|-0.00132043|0.00144910|-0.00809106|0.00098162|-0.01408546|0.08708626|-0.09549111|0.00233970|0.00634815|-0.00892642|0.01427306|-0.03224014|0.00731418|0.00205131|0.00462365|0.00372117|0.00025336|-0.00012206|0.00007339|0.02642836|0.02215519|-0.08537715|-0.05359068|-0.02105302|-0.07956059|0.08128563|-0.03705863|0.37133516|-0.00525988|-0.03907225|-0.00600464|-0.09501822|-0.01906280|0.00203853|0.00348530|0.01214999|0.00182217|-0.00802456|0.00970050|-0.00917963|-0.00160207|-0.00184782|-0.00025451|-0.00199361|0.00056599|-0.00080513|-0.00021372|0.00008513|-0.00016414|0.00000864|0.00000840|0.00000130|-0.01447571|0.00148547|-0.00906769|-0.00471651|-0.00245803|0.00378917|-0.22267706|0.01873345|-0.04785555|0.56994216|-0.00459765|-0.00482916|-0.00125844|-0.01375421|-0.19008764|-0.01934320|0.00805984|-0.03276305|0.00709680|0.02714620|-0.00942914|0.00850951|0.00236734|-0.00519883|0.00136793|0.00083836|-0.00176005|0.00070916|-0.00001334|-0.00011193|0.00025499|0.00023659|-0.00003606|-0.00003333|0.00060671|-0.00384489|0.00111062|-0.02265811|0.00870663|-0.01085928|0.00344294|-0.09032195|0.00479611|-0.07319623|0.58639657|-0.00131883|-0.00300663|-0.00071757|-0.00139256|-0.02172181|-0.10125042|0.00029549|0.03189823|0.00561453|-0.02429333|0.01195817|-0.00312152|0.00292106|0.00077378|-0.00317762|0.00407826|0.00239394|-0.00118268|0.00022687|-0.00162155|0.00045181|0.00025824|0.00002178|-0.00029701|0.01916479|-0.00853041|0.01526824|-0.01404348|0.00516395|-0.00707756|-0.04304595|0.01056888|-0.10904529|-0.03451867|-0.06093908|0.66518986|-0.06486055|-0.03655244|-0.00566278|-0.00211465|-0.03993093|-0.00671698|0.00142749|-0.00040578|0.00018150|0.00041931|0.00007593|0.00039419|-0.00013352|0.00042690|-0.00002242|0.00011469|-0.00030741|0.00000700|0.00000910|0.00007445|-0.00001439|-0.00001272|0.00000834|0.00001864|-0.00010653|0.00007409|0.00000942|-0.00045183|0.00040529|-0.00045092|0.00002751|-0.00283739|-0.00026276|-0.00782706|0.00135412|-0.00005619|0.06711809|-0.03820702|-0.33033929|-0.04389529|0.00056232|-0.00540512|-0.00114397|0.00023292|0.00026960|0.00040857|-0.00043929|0.00007683|-0.00010938|0.00002954|0.00014283|-0.00011595|0.00005924|-0.00022797|0.00005410|0.00003268|0.00007413|-0.00004152|-0.00003732|0.00000323|0.00002794|-0.00011757|0.00011088|-0.00000834|-0.00007889|0.00019309|-0.00018439|0.00031039|-0.00066396|0.00015000|-0.00178883|0.00159654|0.00005318|0.04261950|0.35787868|-0.00609085|-0.04382258|-0.06693621|0.00034457|-0.00113765|-0.00104609|0.00002958|-0.00055551|0.00017640|0.00016980|0.00006138|-0.00013101|-0.00005153|0.00012884|0.00001559|0.00002562|-0.00004345|-0.00000647|-0.00000825|0.00001558|-0.00000073|0.00000349|-0.00000401|0.00000063|-0.00007615|0.00004863|-0.00007692|0.00001921|0.00002287|0.00001438|-0.00006860|-0.00011645|0.00045407|-0.00013947|-0.00032816|0.00061092|0.00705521|0.04892208|0.06359543|-0.11176204|0.06112672|-0.09091935|-0.01450288|0.02120169|-0.03094696|-0.00541407|-0.00396712|0.00307444|-0.00249796|0.00078859|-0.00165712|0.00052988|-0.00084963|-0.00055342|-0.00019778|0.00012137|0.00021699|0.00011261|0.00001720|-0.00005863|-0.00008782|-0.00000836|0.00003868|-0.00005530|-0.00002986|-0.00005340|0.00010417|-0.00018494|0.00016374|-0.00017584|0.00104972|0.00012632|0.00181228|0.00070051|0.00005143|0.00249521|-0.00191113|0.00510632|0.11943568|0.06215147|-0.13091676|0.10708194|-0.00419673|0.00507625|-0.00848810|-0.00175268|0.00014135|0.00006165|-0.00060317|0.00031765|-0.00024207|0.00000343|-0.00009376|-0.00014906|-0.00003701|0.00004904|0.00002344|0.00000186|-0.00002576|0.00002713|0.00000891|0.00000106|-0.00000738|0.00002495|-0.00005181|0.00000947|0.00001861|-0.00002744|0.00005927|0.00014575|0.00031142|0.00006589|0.00041163|0.00071516|-0.00056556|0.01631322|-0.01747587|0.02917180|-0.06696436|0.13580098|-0.09218412|0.10653643|-0.21908375|0.00133178|-0.00050852|0.00003526|0.00023281|0.00005063|0.00067810|-0.00019627|0.00023602|0.00032916|0.00001982|-0.00032042|0.00003875|-0.00004650|0.00005675|0.00000419|0.00001976|0.00000573|-0.00002601|-0.00002467|-0.00000813|0.00001150|0.00002133|0.00000043|-0.00000950|-0.00000030|-0.00002071|-0.00000789|-0.00019999|-0.00003072|-0.00011216|0.00013558|0.00010727|0.00013539|0.00423764|-0.00290183|0.00640044|0.10208796|-0.11913687|0.23335275|-0.11680086|0.03166426|0.10777604|-0.01707136|0.01044167|0.03418941|0.00089964|-0.00027226|0.00237479|0.00051006|-0.00015571|-0.00045071|0.00008637|0.00011003|-0.00003566|0.00022436|0.00005481|-0.00003853|-0.00000313|0.00000283|-0.00002984|-0.00000047|-0.00001397|-0.00000250|0.00030344|-0.00005723|-0.00000372|-0.00010228|-0.00001875|-0.00015577|0.00024780|0.00015709|-0.00003202|0.00122429|0.00158642|0.00086770|0.00254932|-0.00025726|-0.00551541|0.00878678|-0.00606644|-0.01420373|0.12616614|0.03262025|-0.07756222|-0.06048503|-0.00393820|0.00170195|0.00785461|0.00084276|-0.00004831|-0.00074671|-0.00009783|-0.00004121|0.00015581|0.00005864|-0.00011924|0.00005334|-0.00001762|0.00002476|0.00000828|0.00000499|-0.00001442|0.00000356|-0.00000066|0.00000328|0.00000002|0.00006997|-0.00004651|-0.00001317|0.00002444|-0.00005629|-0.00000105|-0.00010453|0.00022359|-0.00008674|-0.00025269|0.00078756|0.00148647|0.01755743|-0.00729776|-0.03286954|-0.01053122|0.00590716|0.01686876|-0.03436074|0.07618013|0.10994700|-0.06016288|-0.26512042|-0.00114336|0.00063051|0.00192970|-0.00064136|0.00046727|0.00061461|0.00018241|0.00001346|0.00011137|-0.00007406|0.00004185|0.00012975|-0.00003625|0.00001096|-0.00000957|-0.00001499|-0.00000103|0.00001675|0.00001260|0.00000974|0.00000002|-0.00004806|0.00006619|-0.00007664|0.00008538|-0.00002993|0.00005038|-0.00012081|0.00012403|0.00026636|-0.00001598|-0.00013782|0.00017752|0.00115139|-0.00148862|-0.00354457|0.01258305|-0.00783620|-0.02302919|-0.12109858|0.06768694|0.28591039|-0.01704392|0.01011007|0.03411619|-0.11411749|0.02904914|0.10179632|0.00845127|-0.00381837|-0.01671619|0.00102750|0.00044350|0.00180831|0.00007166|0.00017046|-0.00010323|-0.00034082|-0.00027501|0.00005127|0.00001388|-0.00003769|0.00002492|0.00000816|0.00001947|-0.00001860|-0.00019413|-0.00028888|-0.00002020|0.00002802|0.00000639|0.00014841|0.00056478|0.00016072|-0.00019303|0.00329289|-0.00156821|-0.00555680|0.00172894|-0.00052985|-0.00026731|0.00146240|0.00079215|-0.00058910|-0.00780075|-0.00198516|-0.00070574|0.12214398|-0.00399063|0.00277723|0.00787534|0.02939168|-0.07684832|-0.06226351|-0.00924047|0.00390229|0.02048476|-0.00028925|-0.00011742|-0.00125420|-0.00003407|0.00023212|-0.00007823|-0.00002007|0.00011934|0.00003593|-0.00002849|0.00003803|-0.00002649|0.00000453|-0.00000752|0.00000621|-0.00070973|0.00011838|-0.00008704|-0.00014725|0.00007067|0.00058931|0.00155464|0.00024293|0.00010537|0.01754396|-0.01278269|-0.03413037|0.00059764|0.00042938|0.00047413|0.00049109|0.00001977|-0.00033810|-0.00207098|0.00038702|0.00023503|-0.03235068|0.08665019|-0.00178467|0.00096787|0.00364545|0.10129581|-0.06272872|-0.26657157|0.01418594|-0.00547005|-0.02629173|-0.00087731|0.00024411|0.00193814|0.00030119|-0.00011389|-0.00051264|-0.00069780|-0.00038462|0.00039944|0.00007111|-0.00001193|0.00003859|-0.00003778|0.00006205|0.00001337|-0.00065680|-0.00004920|0.00031467|0.00014097|0.00009679|0.00011671|0.00044108|-0.00024217|-0.00045911|0.00253306|-0.00095422|-0.00399836|0.00061106|0.00056303|0.00015914|0.00077928|0.00000010|0.00078253|-0.00109489|0.00009987|0.00148706|-0.11055543|0.06600426|0.28764877|0.00043137|0.00059160|0.00019764|-0.00272851|0.01529329|0.00762306|-0.08959929|0.08990969|0.02372027|0.00662064|-0.03668335|-0.00717947|0.00301677|-0.00050377|0.00049495|-0.00019551|-0.00073666|0.00050145|0.00011433|0.00003500|-0.00001811|-0.00004131|0.00005029|-0.00000315|-0.00016662|-0.00006654|0.00008470|0.00049893|-0.00132669|0.00065404|-0.00417448|-0.00091145|-0.00351228|-0.00194928|0.00067276|-0.00335375|-0.00036286|-0.00041159|-0.00016720|-0.00009523|-0.00036918|-0.00026674|0.00020179|-0.00002480|-0.00015322|0.00112473|-0.00112006|0.00024128|0.09145125|0.00004029|-0.00045716|0.00061942|0.00229234|-0.00966419|-0.00449355|0.07593082|-0.31265146|-0.06584288|0.00303996|-0.02193591|-0.00324624|0.00457771|0.00215758|0.00100064|-0.00077927|-0.00014035|0.00065488|0.00012040|-0.00003494|-0.00011960|-0.00009875|0.00006726|0.00006209|-0.00011448|0.00008253|-0.00018765|0.00026512|-0.00087294|0.00043775|-0.00162264|-0.00047020|-0.00268750|0.00017189|-0.00077046|0.00207636|0.00043385|0.00028305|0.00003642|0.00028396|0.00019588|0.00009494|-0.00006530|0.00005780|-0.00000512|-0.00059633|0.00099007|0.00028335|-0.08409937|0.33972700|0.00069249|0.00012980|-0.00015989|-0.00624878|0.02801532|0.00980374|0.02143489|-0.06828521|-0.07841010|0.00008362|-0.00712448|-0.00117676|0.00174245|0.00031111|0.00173080|-0.00052358|0.00046532|0.00006753|-0.00000935|-0.00008544|-0.00023931|-0.00008087|-0.00002804|0.00006619|0.00024892|0.00005240|-0.00009826|0.00003583|-0.00030976|0.00019946|-0.00138312|0.00099659|-0.00192690|-0.00253005|0.00299260|-0.00443233|-0.00018512|-0.00032975|0.00013866|-0.00008840|-0.00018515|-0.00008435|-0.00014774|0.00001911|0.00000030|0.00069963|-0.00050983|0.00193490|-0.02355232|0.07191636|0.07802598|0.00158796|-0.00026246|-0.00071559|0.01032255|0.00010010|-0.01641449|-0.13994571|0.00162412|0.12739811|-0.02662068|-0.00651706|0.01635798|-0.00269976|-0.00521157|0.00241745|-0.00167754|0.00058405|0.00033354|0.00001531|-0.00032396|0.00003210|-0.00014188|-0.00004318|0.00008990|-0.00011153|-0.00053910|0.00053755|0.00010586|-0.00022121|0.00040163|-0.00218964|0.00135275|0.00075448|-0.00020284|-0.00075774|0.00027836|0.00002725|-0.00014255|0.00007124|0.00032132|-0.00002263|0.00001165|0.00008372|0.00020112|0.00005579|-0.00108993|0.00213981|-0.00354524|-0.00429668|0.00056255|0.00958020|0.16666555|-0.00093784|0.00096523|-0.00046219|-0.00924434|0.00183896|0.01550487|0.00397870|-0.06733814|0.00328713|-0.02027461|0.00001027|0.01267553|0.00013825|-0.00195212|0.00217957|-0.00133888|0.00020890|0.00049248|-0.00003822|-0.00031243|-0.00008771|-0.00006517|0.00002786|0.00005714|-0.00029999|-0.00011026|0.00016398|-0.00001275|0.00005401|0.00014597|-0.00080020|-0.00031865|0.00007959|-0.00046391|0.00116960|0.00018644|0.00019900|-0.00001166|-0.00011051|-0.00017301|-0.00016850|-0.00026188|0.00041730|0.00003467|-0.00023411|0.00130439|-0.00112920|0.00281201|0.01935823|0.00423687|-0.02993341|0.00795530|0.06322777|0.00192053|-0.00069707|0.00091798|0.01551572|-0.00182098|-0.02555570|0.13050904|0.00486082|-0.25366958|-0.00655040|0.00083238|0.01425292|-0.00190744|-0.00043082|0.00098548|-0.00057039|0.00008903|0.00003410|-0.00011648|-0.00014905|0.00010492|0.00005212|0.00002398|-0.00001207|-0.00010592|-0.00002280|0.00018764|0.00010615|0.00019106|0.00003854|0.00009237|-0.00037390|-0.00010625|0.00012701|-0.00094139|0.00017213|-0.00027364|-0.00023664|-0.00016568|-0.00012902|0.00002401|0.00067179|-0.00147338|0.00024460|0.00062565|-0.00323888|0.00395968|-0.00342111|0.00440650|-0.00042124|-0.00600322|-0.13799945|-0.00619700|0.27016280|-0.00000357|0.00006081|-0.00007841|-0.00010434|-0.00010564|0.00012358|-0.00002308|0.00064561|0.00026408|-0.00180001|-0.00133196|-0.00044118|-0.00534238|0.00304694|0.00302371|-0.00458865|-0.02180478|0.02422929|-0.09478111|-0.04892086|0.07612724|0.01222709|0.01670812|-0.01892473|0.00096963|-0.00055503|-0.00016261|-0.00010215|0.00020583|-0.00010728|0.00001223|-0.00048279|0.00022192|0.00000437|0.00007424|-0.00008943|0.00000720|-0.00000376|0.00000671|-0.00004616|0.00000185|-0.00001522|0.00001064|-0.00000354|-0.00000057|0.00000657|-0.00000919|-0.00003272|0.00003778|-0.00000273|-0.00001105|-0.00019766|-0.00008611|-0.00002769|0.09508511|0.00000419|-0.00000546|-0.00001587|-0.00003270|0.00001070|0.00004680|0.00017743|0.00003553|-0.00014681|-0.00008076|0.00075997|0.00016025|0.00243292|0.00035635|0.00004293|0.00259847|0.00644190|-0.00520594|-0.04774042|-0.16786554|0.14166658|-0.00939356|-0.00988824|0.02252759|-0.00040151|0.00018841|-0.00031884|0.00007324|0.00001347|-0.00011173|-0.00032999|-0.00006703|-0.00002246|0.00001161|0.00000974|0.00004018|-0.00000512|-0.00000518|0.00000229|-0.00000678|0.00000286|0.00000013|0.00000584|-0.00000063|-0.00000387|-0.00000121|-0.00000864|-0.00002310|-0.00000228|-0.00001889|0.00000641|0.00004003|0.00001484|0.00000389|0.04815831|0.16966235|0.00000063|-0.00004971|0.00003884|0.00002973|0.00007905|-0.00006048|-0.00002714|-0.00030695|-0.00004237|0.00068016|0.00024314|0.00000580|0.00238383|-0.00079587|-0.00035896|-0.00004575|0.00956876|-0.00458522|0.07551302|0.14012375|-0.22632463|0.00574036|0.00956067|-0.00440787|-0.00065665|0.00002269|0.00017437|0.00015379|-0.00025914|-0.00007621|0.00000423|0.00034888|-0.00020913|-0.00000526|-0.00008940|0.00008029|-0.00000918|0.00000124|-0.00000388|0.00003257|-0.00000267|0.00001417|0.00000120|0.00000249|-0.00000579|-0.00000597|-0.00000382|-0.00000012|-0.00003054|-0.00002456|0.00001015|0.00010611|0.00003846|0.00000614|-0.08285104|-0.16045661|0.23227964|0.00001683|0.00000080|-0.00001745|-0.00004286|0.00001267|0.00003532|0.00010826|0.00011839|-0.00001386|-0.00004560|-0.00013114|-0.00021584|0.00032580|-0.00057846|-0.00004176|0.00293009|0.00660815|0.00064203|-0.01486969|0.00084644|0.01215679|-0.32156251|0.04334826|0.11923087|-0.00128389|-0.00050610|0.00063847|0.00005045|0.00003327|-0.00005637|-0.00017411|0.00039495|-0.00040572|0.00002599|0.00003037|0.00016232|-0.00001340|-0.00001910|0.00000013|-0.00001745|0.00000757|-0.00000847|-0.00000088|0.00000056|0.00000206|0.00000839|-0.00000054|-0.00000545|0.00000490|-0.00001160|0.00000210|-0.00004749|-0.00000736|0.00001039|-0.00031681|-0.00234746|-0.00314042|0.33786895|-0.00000463|-0.00002265|0.00001885|0.00002462|0.00002687|-0.00002743|-0.00020736|-0.00023062|0.00007133|0.00118625|-0.00059176|-0.00104671|-0.00098731|-0.00037299|0.00006952|0.00529649|0.00328895|0.00804210|0.02596462|0.00250876|-0.00955246|0.03909645|-0.06439915|-0.00291186|-0.00023621|0.00014454|-0.00036126|0.00014743|-0.00007342|0.00013588|0.00012389|0.00057955|-0.00046998|0.00001709|-0.00002829|0.00001441|-0.00000014|0.00000551|-0.00000035|0.00001861|-0.00000135|0.00000621|0.00000339|-0.00000022|-0.00000446|-0.00000246|-0.00000149|-0.00000219|0.00000305|0.00001697|0.00003017|0.00005473|0.00003592|-0.00000448|-0.00291296|-0.00316370|-0.00489224|-0.05002967|0.05460229|-0.00000115|-0.00002118|0.00000871|-0.00001220|0.00001940|-0.00002197|-0.00012893|-0.00008340|0.00001299|0.00039262|-0.00066584|-0.00024003|0.00035586|-0.00103414|0.00001287|0.00309666|0.00886787|0.00427265|-0.01417245|0.00361399|0.01196790|0.12370241|-0.00518015|-0.11128078|-0.00127169|-0.00022359|0.00049826|0.00003711|-0.00007884|0.00001604|0.00004293|0.00064241|-0.00052182|0.00001107|-0.00003801|0.00014095|-0.00000643|-0.00000134|-0.00000184|0.00001194|-0.00000050|0.00000516|0.00000315|0.00000048|-0.00000483|0.00000042|-0.00000155|-0.00000256|-0.00001229|-0.00001147|0.00000539|0.00002496|0.00001376|-0.00000375|-0.00258921|-0.00474700|-0.00344631|-0.13126875|0.00333386|0.10241261|-0.00000756|-0.00000262|0.00000349|-0.00001352|-0.00001278|-0.00002704|-0.00000623|0.00004550|-0.00006859|-0.00064403|-0.00002791|0.00085848|-0.00021070|0.00128266|-0.00067092|-0.00149807|-0.00293685|-0.00178344|0.01462341|0.01453245|-0.01863157|-0.09123082|-0.04722232|0.07439650|0.00033591|-0.00012642|-0.00024393|-0.00001966|-0.00016519|0.00011061|0.00007660|-0.00017588|0.00007612|-0.00000388|-0.00003722|-0.00001155|-0.00000019|0.00000358|-0.00000091|0.00000796|-0.00000376|0.00000609|0.00000183|-0.00000050|-0.00000319|-0.00000411|0.00000334|-0.00000439|-0.00003245|-0.00002758|-0.00001586|0.00002457|-0.00000923|-0.00000602|-0.00057666|0.00675621|0.00175931|-0.00280722|-0.01758633|0.02178424|0.08182065|0.00000231|0.00000536|-0.00000735|-0.00001299|0.00000902|0.00002234|0.00010087|0.00009152|0.00006776|-0.00012037|0.00041380|-0.00024274|-0.00010592|0.00102388|-0.00025955|-0.00492413|-0.00406297|-0.00302719|-0.00689522|-0.00951922|0.02168164|-0.04273241|-0.17020194|0.14836366|0.00038250|-0.00003477|0.00011626|-0.00004060|0.00011077|0.00000353|-0.00010902|-0.00018923|0.00017267|-0.00000539|0.00003408|-0.00005401|-0.00000420|-0.00000570|0.00000090|-0.00000724|0.00000099|-0.00000158|0.00000294|-0.00000102|-0.00000198|0.00000141|-0.00000175|-0.00001505|-0.00001119|-0.00001678|-0.00000552|-0.00001796|-0.00001851|-0.00000565|0.00661303|0.00330184|0.00723337|0.00210204|0.00774765|-0.00440639|0.04584285|0.17122081|-0.00000267|0.00000332|-0.00000491|-0.00002170|0.00000133|0.00000105|0.00002447|0.00011922|0.00003953|-0.00066730|-0.00017893|0.00062706|0.00062534|0.00021402|0.00003488|-0.00264111|-0.00433803|-0.00337352|0.00699778|0.00834397|-0.00400900|0.06865205|0.15153232|-0.24255792|0.00032865|0.00001617|0.00007174|-0.00006771|-0.00001957|-0.00000042|0.00016371|-0.00025637|0.00012525|0.00000088|-0.00003714|-0.00003307|-0.00000513|-0.00000428|0.00000035|0.00000010|-0.00000167|0.00000216|0.00000380|-0.00000186|-0.00000317|-0.00000171|0.00000655|-0.00001670|-0.00002621|-0.00003206|-0.00000362|0.00000026|-0.00003176|-0.00001328|0.00182203|0.00664834|0.00657295|0.00227267|0.00754824|-0.00385764|-0.07756342|-0.16948051|0.24637934|0.00004153|-0.00008581|-0.00006140|-0.00026090|0.00010433|-0.00006454|0.00082863|0.00018447|0.00077161|-0.00262978|-0.00555181|0.00690280|-0.00221503|0.00773902|0.00007467|0.00744617|0.00077676|-0.02016014|0.00078067|-0.00047273|-0.00007595|0.00013101|-0.00020040|0.00007087|-0.06221291|-0.00098505|0.02513107|-0.00499200|0.00390641|-0.00155779|0.01038302|-0.00873548|0.02094819|0.00314434|-0.00093628|-0.00223912|-0.00003142|-0.00000938|0.00001672|-0.00003502|0.00000293|-0.00000302|0.00002174|0.00000280|0.00000466|-0.00003649|-0.00007633|-0.00016064|-0.00025611|-0.00015840|0.00000243|-0.00017815|-0.00004743|-0.00006249|-0.00046013|0.00009994|0.00029390|-0.00002471|-0.00001329|0.00001992|0.00009160|-0.00004848|0.00007249|0.04911808|-0.00001558|0.00016283|-0.00015277|0.00005805|-0.00003593|0.00028457|0.00097316|0.00048646|0.00032214|-0.00070380|-0.00303180|0.00448600|0.00061882|-0.00605591|0.00052643|-0.00890652|-0.00639746|0.02191213|-0.00129736|0.00003935|0.00006779|0.00038669|-0.00000376|-0.00031838|-0.00369065|-0.12061598|0.13352833|-0.00003570|0.01372239|-0.02170113|0.00710657|-0.00639096|0.00267226|0.00080713|0.00083477|-0.00069762|0.00005089|0.00001579|0.00002350|-0.00008306|-0.00000069|-0.00001681|0.00003198|-0.00000858|-0.00000064|-0.00001788|-0.00009238|-0.00013060|-0.00008193|-0.00001971|-0.00001937|-0.00028852|-0.00013181|-0.00006058|0.00067116|0.00022766|-0.00031527|0.00007717|-0.00003944|-0.00000138|-0.00010123|0.00010993|-0.00002750|0.00397847|0.12647580|-0.00003893|0.00011529|0.00001233|0.00036516|-0.00028392|0.00015683|-0.00011510|-0.00033176|-0.00002802|-0.00115987|-0.00080385|0.00147764|-0.00071750|0.00013299|-0.00031367|0.00085210|-0.00082502|0.00138726|0.00028867|0.00040036|-0.00049376|-0.00038077|-0.00007310|0.00025846|0.02453447|0.13413352|-0.30105408|0.00268843|0.01154939|-0.01848384|0.00131692|-0.00478438|-0.00190388|0.00006598|0.00067956|0.00008177|0.00004526|0.00002808|-0.00000329|0.00001127|-0.00000823|0.00000923|-0.00001199|-0.00000503|0.00000235|-0.00000756|0.00006640|0.00003566|-0.00003854|0.00000245|0.00000057|0.00001818|0.00001466|0.00001711|-0.00041010|-0.00008303|0.00037178|-0.00003645|0.00001543|-0.00001942|0.00010350|-0.00007148|0.00005971|-0.02919153|-0.13898506|0.31757961|-0.00007322|0.00021080|-0.00001487|0.00054588|-0.00024016|0.00027366|0.00100499|-0.00143183|0.00008370|-0.00134153|-0.00683866|-0.00396467|-0.00348464|0.00047468|0.00038708|0.00223811|0.00245155|0.00421592|0.00013738|0.00047410|-0.00020824|-0.00013034|-0.00002515|0.00002108|-0.00817398|0.02101599|-0.00797151|-0.07412975|0.08348107|-0.02777961|0.01403139|-0.02547651|0.01054447|0.00096239|0.00220379|0.00209198|0.00008930|0.00004549|0.00000491|-0.00002661|-0.00000861|-0.00001012|0.00000386|-0.00001795|-0.00000458|-0.00000964|0.00009523|0.00003466|-0.00047826|-0.00036095|-0.00010148|-0.00005595|-0.00000020|0.00002326|-0.00005089|-0.00000051|0.00005880|-0.00006321|-0.00000072|-0.00003516|0.00004729|-0.00002219|0.00001976|0.00085777|-0.00225147|-0.00190047|0.07191147|-0.00002038|0.00014997|-0.00003704|0.00012733|-0.00027908|0.00010014|0.00099073|-0.00022229|-0.00001132|-0.00102229|-0.00155731|-0.00388234|0.00003492|-0.00109094|0.00185552|-0.00218678|0.00127084|-0.00172938|-0.00007812|-0.00011790|0.00022269|0.00010785|0.00002170|-0.00005118|0.00065294|-0.00703755|0.00086112|0.08228162|-0.33593234|0.05546061|0.00847945|-0.01530628|0.00495366|0.00050315|0.00174509|0.00128760|0.00004288|0.00001172|0.00000781|-0.00005470|-0.00000133|-0.00002448|-0.00000889|-0.00001527|0.00000771|0.00001593|0.00011155|0.00005675|-0.00027257|-0.00013069|-0.00007809|-0.00014215|-0.00003141|0.00003528|0.00003760|0.00000038|-0.00004560|0.00003394|-0.00003004|-0.00001371|-0.00003108|0.00001387|-0.00000683|0.00052101|0.00113108|-0.00033004|-0.08879118|0.35661673|-0.00000073|-0.00004530|0.00002246|-0.00000604|0.00019204|-0.00014644|-0.00033031|0.00050883|0.00020525|0.00033302|0.00322749|-0.00095031|0.00324815|-0.00251132|0.00257655|-0.00420378|-0.00096604|-0.00540845|0.00000893|-0.00036106|0.00029671|0.00015647|0.00004991|-0.00002973|0.00804538|-0.02903454|0.00530934|-0.02745089|0.06105246|-0.07182809|-0.00036411|-0.00314119|-0.00320435|-0.00044681|-0.00055519|0.00091138|-0.00001291|-0.00001244|-0.00000634|-0.00000131|-0.00000268|0.00000179|-0.00000241|0.00000510|-0.00000825|0.00000782|-0.00005413|0.00002470|0.00017300|0.00012990|0.00006505|-0.00003058|-0.00003455|-0.00002694|0.00000707|0.00000526|-0.00002706|0.00004164|-0.00003002|0.00001850|-0.00004914|-0.00001042|-0.00001334|0.00177052|0.00194199|0.00251068|0.02452272|-0.05872320|0.06994514|0.00019477|-0.00064113|0.00000204|-0.00148502|0.00088742|-0.00025621|-0.00045008|0.00062012|0.00010497|0.00234300|0.00392786|0.00388622|0.00105843|-0.00039523|-0.00097355|0.00082441|-0.00287782|-0.00162065|-0.00003597|-0.00039164|0.00019547|0.00003174|-0.00000231|-0.00010231|0.01061204|-0.00859987|0.02009286|-0.12525454|0.02556707|-0.13928717|-0.01399629|0.00973921|-0.02448040|0.00141018|-0.00434357|-0.00275143|-0.00023900|-0.00010261|0.00000575|0.00005314|0.00003175|0.00000731|-0.00002707|0.00002568|0.00002801|0.00005628|-0.00000696|-0.00006290|0.00022430|0.00011022|0.00013959|-0.00001378|-0.00004916|-0.00000130|0.00006545|0.00001562|-0.00000681|0.00001839|0.00001082|0.00002641|-0.00000533|0.00002901|-0.00000015|0.00077991|0.00321787|0.00323290|-0.00324636|0.00002345|-0.00546184|0.12731964|0.00008464|-0.00028048|0.00009190|-0.00081604|0.00040630|-0.00032425|-0.00009439|0.00017686|0.00002391|-0.00068408|0.00287748|0.00207875|0.00052733|0.00022794|0.00023553|0.00064802|0.00192013|-0.00188936|-0.00001415|-0.00028357|-0.00016786|0.00005435|0.00001415|-0.00000801|-0.00606719|-0.00260298|-0.01012100|0.02822419|-0.07028316|0.04480701|-0.00971951|0.00223704|-0.02115478|0.00123546|-0.00184985|-0.00157862|-0.00010587|-0.00004723|0.00000043|0.00003014|0.00001236|-0.00000679|-0.00004110|0.00000037|0.00001238|0.00003471|0.00012003|0.00007212|0.00005130|0.00003322|0.00000914|0.00004219|0.00000701|0.00001152|-0.00004689|-0.00000642|0.00004399|0.00002390|0.00002013|0.00004691|0.00000724|-0.00004561|-0.00001487|-0.00067133|-0.00060769|-0.00046945|0.01499720|0.00079114|0.02825293|-0.02712368|0.06710471|0.00001756|0.00012050|0.00004518|0.00040740|0.00001219|-0.00001093|0.00020787|-0.00016389|0.00020356|-0.00071224|-0.00072610|0.00042525|-0.00048381|-0.00147791|0.00053470|0.00038191|0.00435917|0.00127495|0.00007284|-0.00040796|-0.00011099|0.00009340|0.00002956|-0.00002655|-0.01057099|0.00272575|-0.01879996|-0.13862669|0.04037925|-0.28956192|0.00367413|-0.00351245|0.00091860|0.00043052|0.00106053|0.00035056|0.00003177|0.00001214|-0.00000149|-0.00000860|-0.00000113|-0.00000454|-0.00002171|-0.00000715|0.00000578|-0.00000522|0.00006088|0.00006102|0.00000694|-0.00001846|-0.00002243|-0.00006912|-0.00001807|0.00001597|-0.00007496|0.00000100|-0.00000867|0.00004107|-0.00000389|0.00002949|-0.00002080|-0.00006216|-0.00002507|-0.00156213|-0.00299837|-0.00193624|-0.00031206|0.00064076|-0.00016395|0.14725140|-0.03991581|0.30685017|0.00094621|-0.00008988|-0.00086122|0.00636101|-0.00382721|-0.00787612|-0.00088107|0.00008684|0.00067485|0.00052421|-0.00079782|-0.00077118|-0.00140827|0.00107078|-0.00013165|-0.00097867|-0.00125082|0.00005465|-0.00000148|0.00064472|-0.00025728|-0.00016875|-0.00000023|0.00012547|-0.00233625|0.00390887|-0.00333624|0.00328116|-0.00080125|-0.00023334|-0.02512902|0.01120556|0.02741323|-0.16020429|0.06245384|0.11811999|0.00021056|0.00008922|-0.00013421|0.00001359|0.00008694|-0.00006843|0.00034889|-0.00003891|0.00009685|0.00025739|-0.00274737|-0.00067159|0.00005576|0.00010968|-0.00013224|0.00023636|0.00025722|-0.00015623|0.00002409|-0.00002152|-0.00001054|-0.00008391|0.00001805|-0.00003262|0.00001975|0.00000386|0.00001259|0.00038580|0.00003076|0.00001363|-0.00061442|-0.00084770|-0.00006428|0.00001313|-0.00014798|-0.00012407|0.17599465|0.00163975|0.00221007|-0.00049429|0.02188850|-0.01144921|-0.02780338|0.00016181|0.00129586|-0.00100828|0.00009479|-0.00000797|0.00058815|0.00045501|0.00015074|-0.00003698|-0.00044745|-0.00067961|0.00015553|0.00001070|0.00016784|0.00007746|-0.00001314|0.00000630|0.00001490|-0.00192345|0.00108404|-0.00032327|0.00075183|0.00067052|0.00074363|-0.00155099|0.00024978|0.00096459|0.06257250|-0.09860776|-0.06838960|0.00019191|0.00032443|0.00047710|-0.00029693|0.00000520|-0.00004581|-0.00109798|-0.00009329|0.00067909|-0.00124041|-0.00723523|-0.00077929|-0.00032076|-0.00001808|0.00034184|-0.00004717|-0.00033388|0.00085428|0.00000270|-0.00000790|-0.00000267|-0.00001472|-0.00001200|-0.00002003|0.00000130|0.00000596|0.00000085|0.00031471|0.00006962|-0.00004450|0.00011011|-0.00011877|0.00010308|0.00014157|0.00011571|-0.00002619|-0.06711350|0.10242496|0.00052055|0.00067912|0.00034079|0.00416252|-0.00309251|-0.00645939|-0.00026217|-0.00021171|0.00021748|0.00067613|-0.00030372|-0.00042558|-0.00028717|-0.00003287|0.00020845|-0.00058703|-0.00011245|0.00033256|-0.00005769|0.00017192|-0.00009047|-0.00003696|0.00001138|0.00003160|-0.00214245|0.00123390|-0.00016678|0.00216168|0.00020408|0.00101528|-0.01036730|0.00503285|0.01247488|0.11854634|-0.06897178|-0.19952032|-0.00024550|0.00019787|0.00028623|-0.00006816|-0.00006353|-0.00021942|-0.00075473|-0.00020291|0.00042145|-0.00065789|-0.00195991|0.00128500|0.00002253|-0.00009259|0.00014759|0.00018111|-0.00010643|0.00043331|0.00000723|-0.00000990|-0.00001302|-0.00001204|0.00000521|-0.00001299|-0.00000400|-0.00000061|-0.00000332|-0.00016232|-0.00012751|0.00003182|0.00011721|-0.00014901|0.00001513|0.00017941|0.00023785|-0.00005670|-0.12975626|0.07926723|0.21077578|0.00049754|0.00008495|0.00068777|0.00062543|-0.00450089|0.00986316|-0.00217119|-0.00227505|-0.00158878|-0.00618252|0.00153904|-0.00151309|0.00052239|0.00146244|-0.00080145|0.00032764|-0.00007999|0.00004589|0.00011674|-0.00005315|-0.00004121|-0.00006214|0.00000665|0.00001508|0.00217253|0.00054798|0.00082648|0.00011476|0.00051590|-0.00041838|0.00085178|0.02159958|-0.02867148|-0.06114412|0.01008852|-0.01584541|-0.00007024|0.00007126|-0.00033938|-0.00022084|0.00002154|-0.00029508|0.00013611|-0.00003431|-0.00008843|0.00039045|0.00102015|-0.00044785|0.00059405|-0.00000140|0.00034781|0.00007876|0.00024001|-0.00014436|-0.00005655|-0.00000999|0.00003164|-0.00000431|0.00001563|0.00002119|0.00001087|-0.00002351|0.00000051|-0.00067763|-0.00053502|0.00047234|0.00004895|-0.00039697|0.00011042|-0.00025138|-0.00042845|-0.00002440|0.00313356|-0.01427072|0.01882692|0.06121938|0.00083091|-0.00002345|0.00015096|0.00497685|-0.01545075|0.03031254|-0.00138516|-0.00694288|-0.00250437|-0.00042023|-0.00097413|-0.00025318|-0.00025323|0.00083942|0.00030779|0.00018463|-0.00019645|-0.00023627|-0.00006138|0.00000838|0.00005659|0.00004829|0.00000279|-0.00002369|0.00003884|0.00037212|0.00001609|0.00019413|-0.00001201|0.00018919|-0.00033702|0.00068558|-0.00280567|0.01214460|-0.14957397|0.13331188|-0.00027616|0.00006404|-0.00040557|-0.00076124|0.00020612|-0.00034064|0.00000807|-0.00000333|-0.00007851|0.00060379|0.00201565|-0.00035727|0.00097697|-0.00064645|0.00160788|-0.00011949|0.00002464|0.00023107|0.00004004|0.00001164|-0.00002195|0.00000767|-0.00001002|-0.00001016|-0.00000824|0.00000801|-0.00000294|0.00036134|0.00015641|-0.00003928|-0.00009391|0.00000713|0.00001311|0.00018632|-0.00005760|-0.00006217|-0.00228217|0.00978266|-0.01160396|-0.01460422|0.15970646|0.00028353|0.00050279|-0.00005541|0.00144568|-0.00666089|0.00919269|-0.00084476|-0.00219913|0.00033214|-0.00162005|-0.00078336|0.00046345|0.00029695|0.00019030|-0.00031177|0.00002329|0.00011551|0.00024275|0.00003266|0.00001237|-0.00010444|-0.00005515|-0.00000188|0.00002178|0.00064239|-0.00022327|0.00165120|-0.00003568|0.00074916|-0.00023574|0.00177561|0.00548632|-0.00854632|-0.01851409|0.13580139|-0.25533159|0.00018129|0.00005550|0.00007228|0.00020028|0.00016609|0.00010443|-0.00014277|-0.00007023|0.00005302|-0.00001044|0.00080329|0.00138873|0.00018745|-0.00013162|0.00036086|0.00012386|-0.00017397|0.00035112|-0.00001664|-0.00000647|0.00001560|-0.00001329|0.00001612|0.00001241|0.00000643|-0.00000995|0.00000096|-0.00077880|-0.00021216|0.00024338|-0.00009644|-0.00040742|-0.00008944|-0.00014763|-0.00027356|0.00001419|-0.00189376|0.01470655|-0.02104935|0.01897010|-0.14745148|0.27120308| 162.11570 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 55.1582 92.7613 152.6148 188.7684 201.5685 250.9372 278.8455 313.6417 384.3310 451.4987 475.1674 490.7136 523.4239 555.7896 660.6458 696.1375 741.1932 810.6284 829.1280 849.5694 908.9936 933.2684 981.1784 1020.0077 1023.6629 1047.8162 1066.6992 1089.9478 1095.9708 1130.5269 1140.4708 1168.5435 1178.1138 1192.9827 1227.7111 1243.0913 1247.5991 1263.7925 1307.7698 1332.6707 1383.2987 1406.6411 1417.5485 1445.4093 1458.9442 1463.8983 1494.4581 1539.9531 1555.6807 1568.1363 1598.4211 1635.2280 1641.8496 1643.5910 1644.0636 1660.2204 1840.5004 1868.7021 3192.9213 3198.0101 3203.7956 3214.1495 3257.4057 3259.8384 3265.7046 3303.0333 3304.7290 3335.5302 3341.6876 3353.3426 3390.8189 3432.2916 3.1427 2.6608 2.3486 3.3184 2.3938 1.0754 2.6875 2.6969 2.8635 2.1454 2.4144 3.4139 3.1884 2.8043 2.9098 3.2350 4.2500 3.5957 2.2947 3.2046 2.7148 2.0459 1.4969 1.6036 1.6574 1.8323 1.9354 1.9714 1.3880 1.1166 2.1232 1.9182 1.5255 1.4944 2.0701 2.0164 2.0848 1.8580 2.0546 2.0175 3.2137 1.4275 1.5941 1.3656 1.4964 1.9853 1.3313 1.5008 1.8416 1.3455 1.3972 1.1586 1.0712 1.0840 1.3851 1.1188 10.2799 4.4521 1.0646 1.0569 1.0684 1.0706 1.1016 1.1031 1.1001 1.0971 1.0555 1.0738 1.0885 1.0837 1.1186 1.1174 0.0056 0.0135 0.0322 0.0697 0.0573 0.0399 0.1231 0.1563 0.2492 0.2577 0.3212 0.4844 0.5147 0.5104 0.7482 0.9237 1.3756 1.3921 0.9294 1.3628 1.3216 1.0499 0.8491 0.9830 1.0233 1.1853 1.2975 1.3799 0.9823 0.8408 1.6271 1.5433 1.2475 1.2531 1.8384 1.8358 1.9119 1.7484 2.0703 2.1111 3.6231 1.6641 1.8873 1.6810 1.8766 2.5067 1.7519 2.0970 2.6259 1.9494 2.1032 1.8253 1.7014 1.7253 2.2058 1.8170 20.5168 9.1600 6.3948 6.3684 6.4609 6.5163 6.8871 6.9065 6.9124 7.0523 6.7919 7.0387 7.1614 7.1796 7.5778 7.7556 0.6752 0.2782 1.3295 3.0081 2.8502 0.3066 0.2244 5.9482 1.8429 0.4767 1.0543 2.6169 0.5955 12.1797 19.7743 1.0432 6.5717 11.9653 5.9635 9.6648 2.4754 1.5786 1.7482 1.6066 0.9811 12.2500 17.7502 4.8581 40.8032 15.7077 31.3488 21.8027 0.1165 5.4949 2.8760 0.6814 27.3475 3.2261 17.3235 33.6880 31.1201 7.0444 2.5288 8.0560 6.5780 13.2322 2.4276 13.5092 6.1447 0.5130 26.6346 2.6852 3.2030 6.7190 7.4465 0.4673 8.1350 5.6363 3.8951 26.1341 27.1562 116.1545 29.0678 31.1016 63.7487 18.8291 22.7077 4.2390 19.0193 25.0089 10.6264 11.6754 6.5875 3.5096 0.8423 2.7745 2.7105 0.0587 3.6952 4.1597 0.9308 0.6980 2.1697 3.3081 7.5989 2.6177 3.2594 2.4981 3.4764 9.7885 8.1637 6.1636 14.8903 6.4454 4.0323 1.0119 4.7940 6.5959 6.6855 4.2405 4.0856 6.5256 6.3002 3.4485 6.8898 2.6255 7.3452 4.3228 10.5072 4.2231 3.7126 1.6670 4.6207 2.7723 13.9023 19.4787 6.6288 17.6797 7.0211 3.9895 20.0540 1.9659 33.1707 10.3645 17.1561 13.4532 7.8153 12.4446 310.7156 79.3683 51.6875 151.9380 29.7248 124.5903 35.5997 71.2280 86.1291 73.9014 90.4154 25.9052 72.4653 169.5477 66.4542 80.1979 0.7484 0.7217 0.4856 0.6111 0.6707 0.4337 0.3482 0.2447 0.7353 0.7303 0.2046 0.7499 0.2619 0.7498 0.5952 0.5436 0.6464 0.7386 0.6356 0.3957 0.0828 0.2808 0.7138 0.7261 0.6894 0.7102 0.5477 0.5633 0.7210 0.5276 0.3545 0.4228 0.7348 0.7499 0.4196 0.6130 0.4810 0.5836 0.5444 0.4442 0.4826 0.3038 0.6693 0.3105 0.4412 0.6924 0.5877 0.2176 0.1139 0.6789 0.4973 0.7499 0.7473 0.6869 0.5419 0.7316 0.2696 0.3339 0.7364 0.0670 0.4280 0.0682 0.7444 0.7476 0.6098 0.4450 0.1324 0.3239 0.4392 0.1455 0.7424 0.6344 0.8561 0.8383 0.6537 0.7586 0.8029 0.6050 0.5165 0.3932 0.8475 0.8441 0.3397 0.8570 0.4150 0.8570 0.7463 0.7044 0.7852 0.8497 0.7772 0.5670 0.1529 0.4385 0.8330 0.8413 0.8162 0.8306 0.7078 0.7206 0.8379 0.6908 0.5234 0.5943 0.8471 0.8571 0.5912 0.7601 0.6496 0.7370 0.7050 0.6152 0.6510 0.4660 0.8019 0.4738 0.6123 0.8182 0.7403 0.3574 0.2045 0.8088 0.6643 0.8571 0.8554 0.8144 0.7029 0.8450 0.4247 0.5007 0.8482 0.1255 0.5994 0.1277 0.8535 0.8555 0.7576 0.6159 0.2338 0.4893 0.6103 0.2541 0.8521 0.7763 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 6 6 6 7 7 6 6 6 6 6 6 6 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 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 883.63857 2845.76094 3290.82924 0.99998 -0.00567 -0.00199 0.00566 0.99998 -0.00393 0.00201 0.00392 0.99999 1 0.09802 0.03044 0.02632 2.04240 0.63419 0.54842 79.36 133.46 219.58 271.60 290.01 361.04 401.20 451.26 552.97 649.61 683.66 706.03 753.09 799.66 950.52 1001.59 1066.41 1166.31 1192.93 1222.34 1307.84 1342.77 1411.70 1467.56 1472.82 1507.57 1534.74 1568.19 1576.86 1626.58 1640.88 1681.27 1695.04 1716.44 1766.40 1788.53 1795.02 1818.32 1881.59 1917.42 1990.26 2023.84 2039.54 2079.62 2099.10 2106.22 2150.19 2215.65 2238.28 2256.20 2299.77 2352.73 2362.26 2364.76 2365.44 2388.69 2648.07 2688.65 4593.90 4601.22 4609.55 4624.44 4686.68 4690.18 4698.62 4752.33 4754.77 4799.08 4807.94 4824.71 4878.63 4938.30 0.241311 0.251402 0.252346 0.205434 -495.393885 -495.383795 -495.382850 -495.429762 1.573436D-04 MUNgauss RevisionA2.1 retrievium 21-Dec-2022 GDB_13 Smiles: CC1CN2N=C(C=C)C3CC23C1 RHF 6-31G(d) (6D,10F) C1 162.115699 |X|Y|Z| 39.588708 21.215405 13.942704 22.708576 9 6 7 7 2 |36.858105| |12.500618|36.858105| |7.405174|12.373533|36.858105| |5.085348|7.970247|13.034879|53.358707| |4.009544|5.728500|7.913689|18.731846|53.358707| |3.565985|4.979935|5.702646|11.917842|20.463107|36.858105| |2.865831|3.700472|4.079505|7.214701|10.755818|12.923821|36.858105| |2.551898|3.167730|3.608605|6.052511|8.825638|7.690717|14.422114|36.858105| |3.849729|5.492563|5.482055|11.075261|11.235634|12.792232|7.296780|4.987053|36.858105| |3.690347|4.966727|5.132362|10.456175|8.727375|7.445402|5.100848|3.989812|12.571270|36.858105| |5.062540|8.029164|8.047181|17.873372|11.187466|8.208076|5.072997|3.986851|12.652669|12.872924|36.858105| |7.381556|12.377122|7.935299|10.807178|7.446223|5.254127|3.795294|3.138191|6.985008|7.033433|12.601756|36.858105| |17.540735|8.789163|6.691285|6.156096|5.145552|3.309984|2.736195|2.491711|3.398946|3.193939|4.223338|5.416045|0.500000| |17.543979|8.789351|5.424803|5.736202|4.727497|3.236013|2.666235|2.360586|3.593770|3.424334|4.493608|6.659890|0.301884|0.500000| |17.533409|8.795691|6.727424|6.550830|5.041829|3.272664|2.641839|2.381091|3.544769|3.603288|4.752702|6.707734|0.301418|0.301396|0.500000| |8.894491|17.514477|8.891854|9.283219|7.831380|5.262073|4.009319|3.377330|5.636627|4.590323|6.983166|8.905616|0.212478|0.212611|0.173355|0.500000| |6.240410|8.640260|17.625648|12.380184|10.563915|5.421553|4.120009|3.787421|4.744335|4.226317|5.946500|5.699524|0.179566|0.132272|0.152564|0.220474|0.500000| |7.098174|8.780208|17.533943|12.409517|8.123246|4.533313|3.427454|3.128946|4.463439|4.577122|6.410540|6.668405|0.179431|0.142418|0.209893|0.174842|0.301340|0.500000| |2.683361|3.396524|3.535748|5.985552|7.839083|8.787606|17.681782|9.165488|6.826086|4.749477|4.566794|3.570378|0.070790|0.070981|0.068501|0.103623|0.097766|0.083668|0.500000| |2.257060|2.723265|3.014328|4.847606|6.476614|5.516991|9.113626|17.720950|4.062297|3.353112|3.301462|2.703530|0.061590|0.058782|0.058662|0.080905|0.087870|0.074025|0.219346|0.500000| |2.597406|3.202850|3.830355|6.383813|9.519522|6.960769|9.103428|17.732502|4.546619|3.841395|3.925723|3.102344|0.071131|0.065673|0.067963|0.092867|0.114232|0.093436|0.173823|0.288115|0.500000| |3.592554|4.883255|4.489049|7.844480|8.067214|8.540876|6.495593|4.487054|17.695244|8.479667|8.287911|6.138127|0.088460|0.097034|0.090613|0.146726|0.111540|0.103777|0.195123|0.106734|0.109814|0.500000| |3.446931|4.387462|4.231341|7.557492|6.461486|5.449287|4.182011|3.359166|8.637374|17.694563|8.677445|6.433793|0.082180|0.091921|0.094474|0.113248|0.098377|0.108259|0.114245|0.081319|0.088921|0.210967|0.500000| |3.277275|4.232167|4.730560|9.733936|8.603974|6.890956|4.999942|4.119316|8.491386|17.707175|8.631532|5.390527|0.080805|0.083402|0.090779|0.108141|0.111290|0.122214|0.124715|0.095662|0.113394|0.170691|0.291437|0.500000| |6.994806|8.763487|6.752721|8.931549|6.208282|4.293132|3.241458|2.769025|5.417701|6.275581|8.868222|17.514989|0.141270|0.175454|0.207081|0.174335|0.136786|0.184651|0.084797|0.067098|0.077116|0.133412|0.169586|0.142618|0.500000| |6.294211|8.644254|5.670216|7.835790|6.196603|4.705946|3.594496|2.944327|6.527555|6.190158|8.759174|17.572271|0.132867|0.181574|0.154213|0.219070|0.126284|0.135728|0.097925|0.071834|0.078969|0.182243|0.174157|0.130105|0.301484|0.500000| 495.277319 -2577.928303 946.102228 -70.260817 -1206.809573 711.174373 -495.635199 2.000723 4063800000000000 419682917BFFFFFD 41305EF571745D15 40D6870000000001 3BF4A90CE0000000 4163874600000000