Version2.5
2022-07-03T04:21:32Z
10.1021/ja902302h
Gaussian16
RevisionB.01
RPOIRIER
27-Jun-2022
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
GDB_13 Smiles: CC1=CCC2=NC3CC=CC3N12
RHF
6-31G(d)
(6D,7F)
CC1=CCC2=NC3CC=CC3N12
C1[X(C10H12N2)]
66
C1
204
CC1=CCC2=NC3CC=CC3N12
CC1=CCC2=NC3C(N12)C=CC3
CC1=CCC2=NC3CC=CC3N12
InChIKey=MUDAMBIBLDKUJR-UHFFFAOYSA-N
InChI=1S/C10H12N2/c1-7-5-6-10-11-8-3-2-4-9(8)12(7)10/h2,4-5,8-9H,3,6H2,1H3
InChI=1/C10H12N2/c1-7-5-6-10-11-8-3-2-4-9(8)12(7)10/h2,4-5,8-9H,3,6H2,1H3
CC1=CCC2=NC3CC=CC3N12
C01[X(C10H12N2)]
66
C1
204
CC1=CCC2=NC3CC=CC3N12
C[C@@H]1CC[C@@H]2[N@]1[C@@H]1CCC[C@@H]1N2
C[C@@H]1CC[C@H]2N[C@H]3CCC[C@H]3N12
InChIKey=MEFQICIYERYGTB-RGOKHQFPSA-N
InChI=1S/C10H18N2/c1-7-5-6-10-11-8-3-2-4-9(8)12(7)10/h7-11H,2-6H2,1H3/t7-,8+,9-,10+/m1/s1
InChI=1/C10H18N2/c1-7-5-6-10-11-8-3-2-4-9(8)12(7)10/h7-11H,2-6H2,1H3/t7-,8+,9-,10+/m1/s1
4.941593163919D+02
-2.560023267891D+03
703.3511485931
-494.5247216
1-A
1811.9382
43
161
204
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
-15.57247 -15.52021 -11.29261 -11.27447 -11.26664 -11.25010 -11.23451 -11.23304 -11.22955 -11.22179 -11.21779 -11.21136 -1.32707 -1.19087 -1.12690 -1.06428 -1.02031 -0.96162 -0.93958 -0.90081 -0.78999 -0.77938 -0.75144 -0.71689 -0.68657 -0.63996 -0.63452 -0.61644 -0.58212 -0.57581 -0.57296 -0.55643 -0.55058 -0.53259 -0.51838 -0.51174 -0.50751 -0.47363 -0.45793 -0.39909 -0.38745 -0.35680 -0.28974
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
0.17445 0.18476 0.22314 0.23106 0.26339 0.26794 0.28087 0.28698 0.30043 0.31025 0.32111 0.33180 0.34390 0.34720 0.35222 0.35729 0.37170 0.39426 0.40533 0.41658 0.45173 0.46338 0.49861 0.51434 0.52652 0.58177 0.60280 0.62049 0.67870 0.71440 0.72692 0.73779 0.75299 0.76312 0.78050 0.79173 0.81360 0.82367 0.83451 0.85416 0.86840 0.87216 0.88012 0.90142 0.91545 0.92991 0.94383 0.94559 0.96617 0.97857 0.99255 1.01745 1.02739 1.05552 1.06839 1.08651 1.10151 1.11099 1.12974 1.13975 1.14231 1.14465 1.15095 1.16124 1.16234 1.17677 1.18701 1.19992 1.21325 1.22940 1.23678 1.25233 1.26198 1.29143 1.30581 1.35554 1.38526 1.40363 1.44974 1.49915 1.51602 1.58027 1.59492 1.62632 1.65631 1.68241 1.70435 1.74379 1.75411 1.80739 1.84530 1.88000 1.92947 1.96646 2.00194 2.01962 2.02813 2.10654 2.12141 2.12951 2.14832 2.17348 2.18327 2.19435 2.21807 2.25127 2.26767 2.28154 2.28754 2.32038 2.34344 2.37244 2.38538 2.41155 2.43369 2.44903 2.49802 2.51490 2.54668 2.57050 2.60380 2.61286 2.62421 2.65084 2.65939 2.69221 2.74737 2.75902 2.76385 2.80311 2.82124 2.87025 2.89721 2.90761 2.95275 2.97834 2.99237 3.03386 3.04805 3.08130 3.13586 3.14876 3.17561 3.25193 3.30944 3.34356 3.38935 3.57369 3.59385 4.50049 4.53705 4.58232 4.59006 4.64936 4.70725 4.77531 4.84050 4.93333 4.99865 5.04488 5.19141
12.63115
0.9878 2.5641 0.0717
2.7487
|XX|YY|ZZ|XY|XZ|YZ|
-65.5207 -72.9821 -70.8394 -2.3292 0.7714 -0.6950
|XX|YY|ZZ|XY|XZ|YZ|
4.2600 -3.2014 -1.0586 -2.3292 0.7714 -0.6950
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
0.4229 13.1709 -3.0298 17.1084 1.4492 6.0378 -5.5477 0.6366 2.8918 -3.7766
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-1463.4546 -746.8250 -231.2559 12.5149 6.5796 -16.8590 0.2647 -3.2899 -3.2745 -371.9429 -283.3331 -150.7239 2.6995 -3.9758 -4.2069
0
|0.65465860|-0.01372505|0.58448224|0.02343575|0.00658509|0.62680033|-0.12014678|-0.04800391|0.00185971|0.60810528|-0.04657936|-0.25585536|0.02518460|-0.04696365|0.92296594|-0.00185862|0.02102115|-0.09694791|0.19172972|-0.19199621|0.33759998|0.01519264|-0.01044900|0.00428394|-0.22161014|0.16380838|-0.10191776|0.77523104|0.01425542|-0.01947381|0.01409816|0.17876630|-0.42005825|0.16548313|-0.09321885|0.71549401|-0.00132573|0.00351981|0.00752802|-0.10009656|0.15494600|-0.15751836|0.29822722|-0.17297570|0.32180549|-0.00003362|0.00019814|-0.00703824|0.01609972|0.00526592|0.00286571|-0.13861146|-0.06652601|-0.01036602|0.51770328|0.00209084|0.00053993|0.00381603|-0.00824300|-0.04495003|0.00797387|-0.04551390|-0.18396502|0.00270688|-0.04459194|0.64436432|-0.00690079|0.00422614|0.01074664|0.00546888|0.01463695|0.00663514|-0.01536834|-0.00966627|-0.08954848|-0.04058135|-0.04257974|0.62852819|-0.00557069|-0.00017494|-0.00394638|-0.01578979|-0.04156312|0.00911939|-0.04060901|-0.00734788|-0.01504176|-0.18799860|0.03185943|-0.04220674|1.10602305|0.00396082|0.00064882|0.00280422|-0.06293177|-0.02531400|-0.01444599|-0.01883871|0.00590376|-0.00451526|0.06255959|-0.12449109|0.03143532|0.12537531|0.64665812|-0.00551091|0.00107572|-0.00108048|0.00411450|-0.01819594|0.00870724|-0.01534582|-0.00445487|-0.00475622|-0.04367549|0.02045644|-0.12162314|0.17250573|-0.09176567|0.31276289|-0.00179842|0.00117217|-0.00106918|0.00943823|-0.00348502|0.00202534|-0.00329869|0.00282632|-0.00314324|-0.02395785|-0.00558668|-0.00048750|-0.64236790|-0.20631641|-0.06006254|0.85885962|-0.00309463|0.00024906|-0.00202575|0.01612483|-0.00499922|0.00886445|0.00213660|-0.00152032|-0.00058065|0.01098031|0.01907032|-0.00277451|-0.14786173|-0.18501951|0.00162822|0.16371217|0.42924230|0.00133761|-0.00022014|0.00040560|-0.00305189|0.00453451|0.00009039|-0.00123667|0.00163714|-0.00087810|-0.00898356|-0.00780122|0.00085581|-0.07684419|-0.01277358|-0.09389813|0.10232917|-0.06680921|0.16163813|0.00065144|0.00014043|0.00020974|-0.00423237|0.00480541|0.00069176|-0.00162681|-0.00030682|-0.00053560|0.00046062|-0.00464980|-0.00045700|-0.06703323|0.02840382|-0.02872260|-0.11935511|0.01621699|-0.01178272|0.58662513|-0.00053436|-0.00000391|-0.00006304|0.00151871|-0.00560888|0.00076713|0.00124744|0.00057010|0.00014119|-0.00426800|0.00139329|0.00313822|0.01805664|0.01363276|0.00074306|0.06990571|-0.16329780|0.03867178|-0.01253861|0.48957670|0.00022312|0.00001262|0.00015929|-0.00253294|0.00051982|-0.00089220|0.00089865|-0.00066851|0.00096061|-0.00272478|0.00485608|0.01212011|-0.01885296|0.00488083|-0.00108854|-0.03040725|0.02439844|-0.11329539|0.05208989|0.06771156|0.68613520|0.00002669|-0.00009277|-0.00012966|0.00002091|0.00012673|0.00088089|-0.00029414|0.00007884|-0.00028306|-0.00010044|-0.00057902|-0.00086019|-0.00184731|0.00188540|0.00048682|-0.02367647|0.00964893|0.00864413|-0.15654248|0.01258846|0.04840330|0.62253619|-0.00000813|0.00003881|-0.00001787|-0.00020760|0.00094326|0.00024590|-0.00018294|-0.00038184|0.00008257|-0.00014327|0.00111021|0.00119340|0.00113253|-0.00606676|0.00100954|0.02924473|-0.00494737|-0.01390317|0.01416546|-0.09407629|-0.01109805|0.03487952|0.61716307|-0.00006273|0.00013301|0.00001466|0.00044211|0.00027744|0.00035410|-0.00037955|0.00024659|-0.00040995|-0.00008939|-0.00086630|-0.00096545|-0.00130211|0.00426375|-0.00127652|-0.01239715|0.00120189|0.01283634|0.05711899|-0.00740933|-0.13480094|0.03361698|-0.07622445|0.56698220|-0.00006039|0.00006739|0.00006163|-0.00012897|0.00013392|0.00038809|-0.00010454|0.00013448|-0.00020924|0.00004060|-0.00021876|-0.00017253|0.00020158|0.00214272|-0.00017950|-0.00246700|-0.00064155|0.00064415|0.00733756|0.02020624|0.01835584|-0.11131513|-0.04122264|-0.02402846|0.79825522|0.00010148|-0.00037357|-0.00016115|-0.00146236|-0.00069056|-0.00024201|0.00046836|-0.00000781|0.00023111|-0.00028138|0.00004932|0.00031658|0.00279940|0.00399230|-0.00142020|-0.00292138|-0.00042574|0.00003404|0.00741638|-0.01139231|-0.01616178|-0.02984848|-0.17986104|-0.06704845|0.19971772|0.48587248|0.00016543|-0.00034138|-0.00018723|-0.00142121|-0.00086815|-0.00091665|0.00069623|-0.00017753|0.00061852|-0.00015400|0.00010428|0.00011555|0.00316408|0.00268605|-0.00056283|-0.00279726|-0.00004309|0.00037077|0.00601722|-0.02078000|-0.02688469|-0.01208468|-0.05818684|-0.13745425|-0.30358906|0.14355639|0.57390977|-0.00027394|-0.00023965|-0.00017599|0.00313314|0.00029190|0.00252291|-0.00068984|0.00036128|-0.00096710|0.00074331|-0.00045728|-0.00082133|-0.00688668|-0.00743108|0.00406820|0.00436606|-0.00131968|0.00135413|0.00337282|-0.00519082|-0.01560918|-0.01407748|-0.02135164|-0.00138798|-0.50314935|-0.19884018|0.15801377|0.77209266|-0.00000336|0.00070569|0.00033016|0.00023519|0.00141162|0.00104984|-0.00027024|0.00005291|-0.00016394|-0.00001411|0.00011263|0.00013949|-0.00063542|-0.00202977|-0.00071387|0.00161335|0.00007599|0.00067609|-0.00392790|-0.02279882|-0.02751956|-0.03179564|-0.01618700|-0.00174012|-0.19189993|-0.18897313|0.03705921|0.32273673|0.59756468|-0.00005712|0.00086992|0.00022442|0.00228687|0.00103556|0.00219634|-0.00066355|0.00028632|-0.00067818|0.00039425|-0.00013692|-0.00026543|-0.00328630|-0.00297110|0.00102707|0.00202164|0.00090873|0.00006666|-0.00757243|-0.01405549|-0.00828251|-0.01397853|-0.01261718|0.01008371|0.16773119|0.04383640|-0.15902188|-0.16859266|0.15358147|0.47678933|0.00173412|-0.00121262|0.00062519|-0.01947428|0.00661332|-0.00195849|0.00364634|-0.00238990|0.00349900|0.00005905|-0.00094816|0.00183813|0.01350196|0.04186127|-0.01031563|-0.01120456|0.00011474|0.00229970|-0.10526695|-0.04189319|0.00006488|-0.02310181|-0.01822466|0.00453978|-0.01749179|0.00620418|0.03084880|-0.10463445|0.00769796|0.03208960|0.50685183|-0.00042089|0.00164231|-0.00040586|-0.00590446|0.02004762|0.00383341|-0.00699318|-0.00299905|-0.00335422|-0.00213203|-0.00395001|0.00229737|0.03144704|-0.03641162|0.00735466|0.00302950|-0.04050816|0.01137877|-0.02457341|-0.12469795|-0.00363278|-0.00505752|0.00184655|0.00732240|-0.00006943|0.01428084|0.00476985|0.01092673|-0.12778158|-0.05585678|-0.03316748|0.60883677|0.00024913|-0.00010144|0.00098997|-0.00811307|0.00751524|-0.01338797|0.00079540|-0.00145054|0.00209485|-0.00134333|0.00434307|0.00125428|-0.00458727|0.02458170|-0.00329264|-0.00381003|0.01654088|-0.00156846|-0.01119545|-0.01479854|-0.09595038|0.00698140|0.01653258|-0.00523174|0.02074858|-0.00413914|-0.01569815|0.03771628|-0.04519632|-0.18947253|-0.02831464|-0.09182826|0.63649440|-0.00808706|-0.00372649|-0.00455144|-0.24153414|-0.02715674|-0.09504763|-0.06200942|0.00891248|-0.04847475|-0.00296072|0.01912326|-0.01532522|-0.14496831|-0.00398511|-0.00619721|-0.03179768|-0.06349530|0.00615701|-0.04330699|-0.00885817|0.00345384|-0.00373525|-0.00195054|-0.00214266|0.00076944|0.00347674|0.00138831|-0.02111074|0.00886292|0.00330821|-0.19377698|0.03799816|-0.00579830|0.76395624|-0.03909343|-0.00381926|-0.01837277|-0.02712166|-0.15593572|-0.01526207|0.01783161|0.01516782|0.00851443|0.00211449|-0.02412288|0.01209659|-0.00842023|-0.25295998|0.07408480|-0.07258899|-0.05703403|0.01606411|-0.01205786|-0.00181232|0.00279654|-0.00013950|-0.00425314|-0.00147012|-0.00189290|-0.00643953|-0.00515186|0.03412001|-0.00377507|0.00529836|0.05332182|-0.15018620|-0.00625241|0.01838622|0.65098506|0.00500161|-0.00049352|0.00450492|-0.07325979|-0.00209956|-0.08460677|-0.04866581|0.00844442|-0.00912981|-0.00380864|0.00780882|-0.00145241|-0.02251955|0.03771195|-0.09789969|0.01829482|0.01870793|0.03875513|-0.01064140|0.00389747|-0.00914038|0.00153011|-0.00372891|0.00129750|0.00025977|-0.00178194|-0.00152240|0.02639477|-0.01021476|0.01153346|-0.02526703|0.00683495|-0.06372628|0.16751142|-0.08256112|0.20006327|-0.30783913|-0.03144273|-0.10352050|-0.01046473|0.00156368|-0.00471556|0.00113002|0.00095519|0.00043074|0.00001221|-0.00025826|0.00006283|-0.00010983|0.00091444|-0.00067459|-0.00038443|-0.00053137|0.00019918|0.00011980|0.00003390|0.00003958|-0.00003009|-0.00003051|0.00001573|0.00003066|-0.00004350|-0.00008026|-0.00001190|0.00017412|0.00012341|0.00039309|-0.00002495|0.00001774|0.00158885|-0.00230589|0.00125679|0.33045274|-0.02630702|-0.06289482|-0.00986251|-0.03710297|0.00025302|-0.01793833|0.00102526|0.00120842|-0.00005120|0.00006887|0.00018365|-0.00012330|-0.00166089|0.00132857|-0.00122804|-0.00069596|-0.00094325|0.00030453|0.00005220|-0.00018903|0.00004357|0.00003712|-0.00000143|-0.00006341|-0.00004757|0.00011139|0.00012950|-0.00006593|-0.00015525|-0.00025825|0.00089565|-0.00057413|0.00013917|-0.00052114|-0.00823133|0.00277240|0.03317979|0.06556902|-0.10488391|-0.01235451|-0.10160047|0.00666041|0.00011285|0.00074711|0.00026482|-0.00004385|-0.00032532|0.00011989|-0.00021841|-0.00019133|0.00017276|0.00038586|0.00061606|-0.00006975|-0.00011690|-0.00021315|0.00004746|0.00003579|0.00010567|0.00001877|-0.00000160|-0.00001571|-0.00001417|0.00007376|0.00009591|0.00001087|-0.00022206|-0.00014655|0.00000796|-0.00005387|-0.00042490|-0.00025593|0.00108144|0.00146815|0.11493454|0.01218803|0.10210879|-0.05972279|-0.00336637|0.00548682|-0.00016062|-0.00137748|0.01242729|-0.00031962|-0.00063333|-0.00041639|0.00049807|-0.00032816|-0.00024744|0.00033291|-0.00074453|0.00015252|0.00014322|0.00042888|-0.00005823|-0.00012895|-0.00015765|-0.00013062|-0.00000158|0.00003659|0.00001167|-0.00001177|-0.00006618|-0.00011253|-0.00006047|0.00025365|0.00007363|-0.00021304|-0.00001897|0.00068018|0.00069675|0.00105314|-0.00050233|0.00403140|0.00893470|-0.03429784|0.05515564|-0.00371044|-0.07206127|0.06394433|0.00131118|-0.01078370|0.04127441|-0.00300956|-0.00275069|-0.00116209|0.00193816|-0.00130115|-0.00227534|0.00098770|-0.00137733|0.00026505|-0.00006630|0.00064435|-0.00009207|-0.00008733|-0.00009508|-0.00003881|0.00001472|0.00002758|-0.00003312|-0.00001398|0.00004445|0.00003076|0.00001833|-0.00010342|-0.00011295|-0.00029247|-0.00000568|0.00020624|0.00103852|0.00291687|-0.00193796|0.00105217|0.00040675|-0.00465898|0.00292594|0.07737280|0.00562455|0.06376686|-0.32780167|-0.00134425|0.00273390|-0.00105193|0.00114759|-0.00027979|0.00059841|-0.00024238|0.00003082|0.00011635|-0.00016492|0.00055423|0.00005733|0.00022081|-0.00021020|0.00005959|0.00010330|0.00010866|0.00007706|0.00000178|-0.00001392|-0.00001729|0.00000311|0.00005101|0.00010666|0.00010945|-0.00022219|-0.00005464|-0.00006092|0.00020138|-0.00048754|0.00017707|-0.00020167|0.00054212|0.00051700|0.00213241|-0.01098410|-0.00675632|-0.07180965|0.35490389|-0.16839996|0.11054211|0.08094027|0.01111878|-0.00779575|-0.00916107|-0.00043369|-0.00097533|0.00066270|-0.00002424|-0.00012685|0.00072932|0.00012581|-0.00021216|0.00048459|0.00017274|0.00019124|-0.00011797|-0.00002586|-0.00004476|0.00005732|0.00001579|-0.00001025|0.00000775|-0.00003688|-0.00003305|0.00000953|-0.00071550|-0.00008846|0.00024979|-0.00010599|0.00018956|-0.00024087|0.00054362|0.00112946|0.00011654|-0.01934376|0.02180983|0.01723626|-0.00005789|-0.00079718|0.00021779|0.17833496|0.11059833|-0.17348630|-0.08530077|0.02670520|-0.02512378|-0.01555116|-0.00413630|-0.00207444|-0.00045952|-0.00033905|-0.00024261|0.00286971|0.00074663|-0.00066022|0.00086778|-0.00053324|0.00040706|-0.00029094|-0.00006078|-0.00024088|0.00011041|0.00008273|0.00006342|-0.00016994|-0.00011758|0.00020846|0.00037881|0.00001906|-0.00066069|-0.00051053|0.00001261|-0.00051717|-0.00063875|-0.00035015|0.00196209|0.00044170|-0.00265497|0.00387129|0.00367134|-0.00649030|0.00728576|0.00313643|-0.12318129|0.18875875|0.08111996|-0.08496419|-0.11734637|-0.00614306|0.00578030|0.00366672|0.00038500|0.00097592|0.00002299|0.00040215|-0.00001595|-0.00092188|-0.00000938|0.00001853|-0.00001072|-0.00011344|0.00008547|-0.00003549|-0.00005500|-0.00017334|-0.00004501|0.00006064|0.00002313|-0.00002385|-0.00002414|0.00011204|0.00005554|0.00012032|-0.00005557|-0.00029032|0.00021593|-0.00034959|0.00021014|-0.00013698|-0.00092051|0.00015778|-0.00868410|0.01138458|0.00811660|0.02409108|-0.02460437|-0.01620272|-0.09157393|0.09226184|0.12195772|-0.00091405|0.00022380|0.00244224|-0.00779974|-0.00599462|-0.00292960|-0.33939208|-0.00893436|-0.12682725|-0.00633006|0.00428318|-0.00329442|-0.00004411|-0.00155237|0.00033429|-0.00084921|0.00034025|-0.00044151|0.00000188|-0.00019497|0.00004873|0.00004800|0.00000718|-0.00009082|-0.00001099|0.00004875|0.00004554|0.00002658|-0.00002488|-0.00000219|0.00101003|-0.00037727|-0.00114471|0.00000398|0.00073036|-0.00333478|0.00055326|0.00050648|-0.00006401|0.00024628|-0.00031802|0.00015811|0.00011828|0.00043168|-0.00013824|0.35403611|0.00088113|0.00108169|-0.00142958|0.02447603|0.00894654|0.00873399|-0.01464320|-0.06908671|0.00186387|-0.02276052|0.00879353|-0.01112838|-0.00183981|-0.00940036|0.00051654|-0.00184062|0.00237889|-0.00106249|-0.00002146|-0.00078626|0.00037894|-0.00005115|0.00024399|-0.00012640|-0.00006976|-0.00008855|-0.00005722|-0.00003555|0.00003939|-0.00000582|-0.00044274|0.00154359|0.00094516|0.00396434|-0.00271303|0.00389494|-0.00035698|-0.00040237|0.00003037|-0.00016795|0.00023401|-0.00013114|-0.00006757|-0.00013038|0.00005865|0.01131205|0.05846213|0.00242698|-0.00220420|-0.00526139|-0.01294863|-0.00276169|-0.00260672|-0.12296462|0.00293003|-0.08370133|0.00168757|0.00001526|0.00065171|0.00096447|-0.00073169|0.00031502|-0.00001556|0.00052931|0.00013183|-0.00057865|0.00005919|0.00021787|-0.00015775|-0.00003058|-0.00007774|-0.00002146|-0.00002319|-0.00000234|-0.00003921|-0.00008489|-0.00014795|-0.00075703|-0.00124657|0.00105666|-0.00279076|0.00673636|0.00786606|0.00019786|0.00034995|0.00044675|-0.00020497|0.00092066|-0.00019814|0.00023115|-0.00089599|0.00049479|0.13513778|-0.00288714|0.08102198|-0.00026749|0.00057138|0.00246755|-0.00464456|-0.00235812|-0.00225573|0.01551973|-0.01726944|-0.01457857|-0.10577598|0.07842116|0.07149287|-0.01153789|0.01959013|0.02568926|-0.00084179|0.00007863|-0.00135067|0.00033194|-0.00113859|-0.00282051|0.00033535|-0.00015019|0.00012950|-0.00003693|-0.00004363|0.00000443|0.00007405|-0.00004923|-0.00006988|-0.00044636|0.00068748|-0.00062089|0.00046495|0.00180720|-0.00198701|-0.00000866|0.00000916|-0.00006223|-0.00016417|-0.00076570|0.00016798|0.00001627|0.00011670|-0.00015805|-0.00014866|0.00105293|0.00020585|0.10942422|-0.00028648|0.00035475|0.00264765|-0.00494745|-0.00177202|-0.00288028|0.01206708|-0.02201774|-0.01447031|0.08059514|-0.17800856|-0.11836568|0.00400256|-0.00814046|-0.00648358|-0.00024995|0.00063963|-0.00031857|0.00011396|-0.00006445|0.00066308|-0.00004533|0.00010946|-0.00000465|-0.00003344|0.00000695|-0.00000579|-0.00001024|-0.00003379|0.00001848|-0.00002655|0.00002177|0.00023221|0.00189445|0.00065213|0.00048210|-0.00001213|0.00002306|-0.00008201|-0.00017662|-0.00084250|0.00008805|0.00006215|0.00017070|-0.00013266|-0.00057870|0.00033509|0.00012673|-0.08526968|0.19525987|0.00019950|0.00004820|0.00005557|-0.00292252|0.00074289|-0.00105372|-0.00065327|-0.00242923|0.00147738|0.07227052|-0.11587592|-0.16630864|-0.00489599|0.01111354|0.01371918|-0.00041573|-0.00012946|0.00061019|0.00033187|-0.00047107|-0.00111428|0.00013174|-0.00010285|0.00007234|-0.00001091|-0.00005163|-0.00000308|0.00016889|-0.00005240|0.00001461|-0.00032639|0.00034391|-0.00064107|0.00171125|0.00112239|-0.00168558|0.00000877|0.00000929|-0.00001099|0.00002559|-0.00003150|0.00002448|-0.00003465|-0.00010624|-0.00002242|-0.00024343|-0.00045858|-0.00002178|-0.07997147|0.12855484|0.17582221|0.00147799|-0.00054491|-0.00108358|-0.00496389|-0.00225507|-0.00210782|0.00001509|-0.00909709|0.02036214|-0.06885017|-0.02591109|0.04565807|0.01145510|0.01445732|-0.03186513|0.00017803|-0.00042821|0.00126459|-0.00027015|-0.00000509|0.00180651|-0.00014647|0.00032052|-0.00030423|-0.00012855|0.00002427|0.00008460|-0.00005827|-0.00005724|-0.00014954|0.00028255|0.00098701|-0.00035027|-0.00403645|0.00418333|0.00107290|-0.00000454|0.00005640|0.00002752|-0.00010252|0.00003622|0.00005463|-0.00012946|-0.00065838|0.00011852|-0.00007554|0.00037894|-0.00050183|-0.00161945|-0.00734325|0.01492045|0.06714107|0.00160879|-0.00091122|-0.00156524|-0.00498585|-0.00228858|-0.00099916|-0.00190874|-0.01373166|0.02510150|-0.02370885|-0.11346368|0.11642595|-0.00232134|-0.00776651|0.01017811|-0.00024431|0.00122470|-0.00030452|0.00022749|-0.00039030|-0.00076079|0.00007825|-0.00009401|0.00012596|0.00003322|0.00001524|-0.00007217|-0.00008844|-0.00001954|-0.00004890|-0.00067494|0.00004833|0.00054978|0.00272345|0.00009150|0.00096326|-0.00001567|0.00007722|0.00002380|0.00001571|0.00018636|0.00004777|-0.00018212|-0.00072073|0.00019609|-0.00023027|0.00040087|-0.00064700|0.00374945|0.01346588|-0.02257202|0.02566096|0.12386284|0.00057225|-0.00025947|-0.00065079|-0.00106082|-0.00154710|-0.00004995|0.00017970|-0.00194707|0.01159655|0.04176789|0.11457014|-0.28055031|0.00565085|0.00499656|-0.01093969|-0.00030467|-0.00053240|0.00126817|-0.00047239|0.00016948|0.00088576|-0.00005401|0.00018356|-0.00017023|-0.00003871|0.00005213|0.00004375|-0.00008921|-0.00001606|-0.00005083|0.00036778|0.00006872|-0.00016599|-0.00154769|0.00020895|0.00017845|0.00000474|0.00002578|0.00000305|0.00000354|0.00010256|-0.00000483|-0.00004671|-0.00027268|0.00003564|0.00035416|0.00086674|-0.00023580|0.00402085|0.00986554|-0.02076169|-0.04919583|-0.12653888|0.29946136|-0.00004710|0.00008311|-0.00005851|-0.00004477|0.00011839|-0.00012581|-0.00010592|0.00002386|-0.00004554|-0.00089471|0.00059149|0.00171093|0.00227974|0.00476562|-0.00302248|-0.01149445|0.00026016|-0.02247039|-0.07993587|-0.02067915|-0.06845241|0.00906617|0.00752729|0.02824139|-0.00437598|0.00009608|0.00348359|-0.00244804|-0.00278134|0.00039924|-0.00181244|-0.00356559|-0.01991066|-0.00071716|-0.00162269|0.00064688|-0.00003477|-0.00004474|0.00000425|-0.00000157|-0.00003944|0.00002299|0.00002157|-0.00001795|0.00000929|-0.00008589|-0.00003305|-0.00004946|-0.00060395|0.00010745|-0.00022248|0.00020329|-0.00008509|0.00010644|0.08769243|0.00008213|-0.00003949|-0.00007054|-0.00043819|0.00072159|-0.00008866|-0.00032475|-0.00022537|-0.00006861|0.00100413|-0.00081615|-0.00194394|-0.00279746|-0.00693691|0.00443542|0.01720344|0.00766274|0.03149889|-0.02086233|-0.07481800|-0.06094594|-0.00135468|0.00108745|-0.00400083|0.00024827|-0.00037592|-0.00066423|-0.00385011|-0.00411493|-0.00069760|-0.00327648|-0.00440644|-0.02618980|-0.00235977|0.00205608|-0.00106675|-0.00001107|0.00002451|0.00000806|0.00000574|0.00002652|-0.00000516|0.00002509|0.00009619|0.00003345|0.00007232|0.00016691|-0.00007465|0.00072761|-0.00012967|0.00024714|-0.00006701|0.00014798|-0.00007518|0.01346832|0.07925808|-0.00005976|0.00003011|-0.00006917|0.00069752|-0.00017334|-0.00003033|-0.00014291|0.00009921|-0.00008676|-0.00056556|0.00023798|0.00062853|0.00333334|0.00489074|-0.00133436|-0.01170133|0.00283346|-0.00860303|-0.06806279|-0.06092738|-0.31364124|-0.00708165|-0.00500050|-0.01609363|0.00310891|-0.00016478|-0.00175574|0.00051943|-0.00000314|0.00050484|0.00136933|0.00155687|0.00248540|-0.00040145|-0.00225942|0.00010791|-0.00003442|-0.00002752|0.00000577|-0.00000018|-0.00002079|0.00002298|0.00000844|0.00000463|0.00000599|-0.00007091|-0.00006578|0.00001792|-0.00029019|0.00005594|-0.00012395|0.00006964|-0.00006559|0.00003348|0.07886659|0.06115336|0.33546588|-0.00004059|0.00003200|-0.00006623|0.00055825|0.00018632|0.00037400|-0.00027204|0.00011106|-0.00020963|-0.00004884|-0.00027620|-0.00022558|0.00061436|0.00180441|-0.00031590|-0.00489792|0.00003627|0.00309813|-0.01578992|0.00631041|-0.01784988|-0.23622506|0.05622534|-0.11672926|-0.00727302|-0.00144259|-0.00503674|0.00075185|-0.00061163|-0.00106999|-0.00170601|0.00093641|-0.00043294|-0.00139291|-0.00132369|0.00078826|-0.00003320|-0.00002508|-0.00000119|0.00000177|-0.00000193|0.00001782|0.00001473|0.00000096|0.00000209|-0.00004208|-0.00005164|-0.00005925|0.00001353|0.00002273|0.00003430|-0.00009710|0.00003671|-0.00005604|0.00185117|0.00034569|0.00033961|0.25550708|0.00004809|-0.00007289|-0.00003309|-0.00005681|-0.00001761|-0.00003030|0.00003603|-0.00003716|0.00004152|0.00000471|0.00006964|0.00013469|-0.00094228|-0.00198443|0.00027158|0.00408785|0.00000967|-0.00213995|0.00425083|-0.00280717|0.00550255|0.05397214|-0.07463830|0.03656441|-0.02870162|0.00926870|-0.01656567|-0.00049539|-0.00264781|-0.00224406|0.00039814|-0.00024660|-0.00185688|-0.00021641|0.00180367|0.00008602|-0.00000857|0.00003193|0.00001058|-0.00000573|0.00001758|0.00000156|0.00001196|0.00007464|0.00001967|0.00002786|0.00005035|0.00001542|0.00003225|0.00000509|0.00000097|0.00006923|-0.00000124|0.00002511|-0.00005258|0.00034410|-0.00009065|-0.05997252|0.07835207|0.00002564|-0.00005438|-0.00003740|0.00023374|-0.00001087|-0.00008425|0.00004121|-0.00005311|0.00007060|0.00008535|0.00028672|0.00017906|0.00017005|-0.00158182|0.00054029|0.00382203|0.00015472|-0.00162099|0.01756445|-0.00693993|0.01408777|-0.12107160|0.03967447|-0.14275540|-0.01811211|0.00528432|-0.00962128|0.00101699|-0.00228286|-0.00146728|0.00057854|-0.00001363|-0.00135189|0.00023925|0.00106074|0.00003082|-0.00002204|0.00002041|0.00000703|0.00000057|0.00001398|0.00000724|0.00001612|0.00007025|0.00001773|0.00001455|0.00005003|0.00002612|-0.00003817|0.00001458|-0.00001472|0.00007589|-0.00003166|0.00003217|-0.00074036|-0.00023195|0.00193995|0.13276229|-0.03923391|0.15015966|0.00001418|-0.00002110|-0.00001512|0.00000243|0.00034537|0.00011980|-0.00017246|-0.00004710|-0.00008878|-0.00000216|-0.00005915|-0.00001377|-0.00132762|-0.00153230|0.00029127|0.00320213|-0.00071116|-0.00107770|-0.00674304|-0.02340114|0.01404156|-0.07137883|-0.05005163|0.03578365|-0.00358436|-0.00853818|0.00543855|0.00031686|-0.00104069|-0.00048574|-0.00235009|0.00039330|0.00375491|-0.00048271|0.00049751|-0.00084432|-0.00001089|0.00001408|-0.00000491|0.00002066|0.00001987|-0.00001379|0.00000280|0.00003700|0.00002347|0.00000290|0.00006647|-0.00000512|0.00006704|0.00001196|0.00001387|-0.00000536|0.00004161|-0.00001668|-0.00115842|0.00039551|0.00096555|0.00874077|0.02553317|-0.01727459|0.07618792|0.00002216|-0.00007018|-0.00004877|0.00016203|-0.00001387|0.00018495|-0.00004871|0.00007458|-0.00003968|-0.00002905|-0.00008094|-0.00003398|0.00005076|-0.00004323|-0.00025290|0.00070265|0.00100806|-0.00084665|0.00255299|0.00835817|-0.00527360|-0.05397047|-0.24513373|0.12940742|-0.00723671|-0.01943392|0.01681896|-0.00052739|-0.00282831|-0.00296982|0.00186855|-0.00201153|-0.00086270|0.00037879|0.00056935|0.00020655|-0.00003177|0.00002464|0.00000834|-0.00000195|0.00001393|0.00000508|0.00000919|0.00007943|0.00002582|-0.00000740|-0.00001056|0.00000112|0.00001156|0.00001778|0.00000487|-0.00001091|0.00002281|-0.00001098|0.00004181|-0.00020818|-0.00021174|-0.00057979|-0.00566448|0.00523390|0.05823205|0.26385501|0.00001224|-0.00004332|-0.00002383|0.00004646|-0.00033344|-0.00012677|0.00012503|0.00001441|0.00003458|0.00005574|0.00002657|-0.00007911|0.00016585|0.00005245|0.00017500|-0.00291070|0.00067289|0.00206448|0.00389799|0.01772113|-0.01116872|0.03860708|0.12748825|-0.14982236|-0.00553828|-0.01977892|0.01922879|-0.00133543|-0.00277377|-0.00246705|0.00162446|-0.00232137|-0.00221330|0.00014079|0.00028462|0.00071916|-0.00000606|0.00001063|0.00001205|-0.00001800|0.00000350|0.00001719|0.00000085|0.00004423|0.00000000|0.00000723|-0.00002391|0.00000970|0.00001654|-0.00001016|-0.00000514|-0.00001787|0.00000696|0.00000167|0.00127981|-0.00051688|-0.00073324|0.00452585|0.01695287|-0.01141824|-0.03976651|-0.14027338|0.15597056|-0.00002393|-0.00000781|-0.00000699|0.00035327|0.00012898|0.00014121|-0.00017810|0.00003231|-0.00010681|-0.00004165|0.00001709|0.00008460|-0.00024697|-0.00088669|0.00011139|0.00085651|0.00037149|-0.00033193|-0.00173224|-0.00356292|-0.00126960|0.01160045|-0.00341263|-0.00923284|-0.15207685|0.04811991|0.13059318|-0.00690382|0.01360477|0.02510047|0.00017875|-0.00726972|0.00561146|-0.00021717|0.00035388|-0.00106310|-0.00002794|0.00000803|-0.00000324|0.00002444|0.00001111|-0.00002213|0.00001698|0.00003114|0.00002710|-0.00002362|0.00002916|0.00001618|0.00000639|0.00001840|-0.00000575|0.00002605|0.00002416|0.00000467|0.00060523|0.00002442|-0.00035429|-0.00024355|0.00114723|0.00053074|0.00019809|0.00030443|0.00067736|0.14972040|-0.00000176|0.00002100|-0.00002139|0.00030275|0.00009715|0.00013248|-0.00008698|0.00001332|-0.00006158|0.00012090|-0.00002361|-0.00017304|-0.00131715|-0.00142406|0.00055612|0.00124615|0.00028840|0.00026085|-0.00346395|-0.00251517|-0.00418319|0.01603564|-0.00045539|-0.01561693|0.05180591|-0.10028700|-0.09259565|-0.00978793|0.01223153|0.01314476|-0.00604104|0.00257298|-0.00608042|-0.00134132|0.00279983|0.00176246|0.00000264|-0.00000839|0.00000253|-0.00000740|-0.00000867|0.00000776|0.00000900|-0.00000789|-0.00000051|0.00001434|0.00002215|-0.00000621|0.00003409|-0.00000622|0.00002641|0.00000123|-0.00001425|-0.00000012|0.00148630|-0.00021439|-0.00086685|-0.00063615|-0.00007064|-0.00059180|0.00015382|0.00050975|0.00139949|-0.05242282|0.08936127|0.00004972|-0.00004529|0.00004448|-0.00058404|-0.00021044|-0.00035358|0.00020207|-0.00007568|0.00019643|-0.00007837|0.00010156|0.00016031|0.00028737|0.00020933|-0.00026170|0.00045317|-0.00005521|-0.00051220|-0.00127346|-0.00227346|-0.00005987|0.01051663|-0.00112090|-0.00554706|0.13378872|-0.08979840|-0.24944315|0.00288116|-0.00621587|-0.00141340|0.00438980|-0.00433181|0.00658418|0.00171931|-0.00134583|-0.00174796|0.00002339|0.00002713|0.00000075|-0.00000178|0.00000616|-0.00000872|-0.00001688|0.00002137|-0.00000495|0.00003196|0.00000748|0.00001217|0.00001506|-0.00000763|-0.00001167|0.00005965|-0.00001985|0.00003742|0.00044545|-0.00015513|-0.00025579|-0.00053578|0.00044477|-0.00005048|-0.00032539|-0.00074330|0.00019639|-0.14940857|0.10129308|0.25358805|-0.00050907|-0.00004930|0.00014256|-0.00004246|0.00035072|-0.00001868|-0.00018610|-0.00002455|-0.00006371|-0.00001486|0.00001119|0.00007492|0.00015935|0.00017592|-0.00017190|0.00020166|0.00012666|-0.00036984|-0.00139456|0.00054660|0.00419692|-0.00051929|-0.00548034|0.00707733|-0.00486627|-0.02569840|-0.01599863|-0.12502731|-0.11569891|-0.04796913|0.01029778|0.01188093|0.00478844|0.00082620|-0.00162165|-0.00156230|0.00002090|-0.00002617|0.00002557|0.00004678|-0.00005383|-0.00006799|-0.00116744|-0.00010111|0.00048740|-0.00000633|0.00000367|-0.00000587|-0.00001458|-0.00001473|-0.00001232|-0.00001977|-0.00000716|-0.00000254|0.00068594|0.00079196|-0.00010101|0.00016629|0.00084202|0.00027472|-0.00078935|-0.00170008|-0.00169605|-0.00107380|0.00316639|-0.00203292|0.12320047|0.00002387|-0.00051248|-0.00023542|-0.00018964|-0.00085592|-0.00046262|0.00030278|-0.00007528|0.00037596|-0.00002569|-0.00000830|-0.00004282|-0.00056641|-0.00064564|0.00001871|0.00062521|0.00010376|0.00019517|-0.00036984|0.00104596|-0.00221478|-0.00491866|0.00520205|-0.00452413|-0.00240833|-0.00353609|-0.00786041|-0.11963354|-0.25616103|-0.10944800|-0.00772919|-0.00472382|-0.00108241|0.00095791|0.00105928|0.00070565|-0.00016256|0.00015369|0.00013823|-0.00011963|0.00006706|0.00012528|-0.00042232|0.00080732|0.00022131|0.00005578|-0.00000715|-0.00001620|0.00005667|0.00002726|0.00002533|0.00006043|-0.00001783|0.00001632|-0.00038466|-0.00073806|0.00000183|-0.00076640|-0.00197174|-0.00108251|0.00022452|0.00073452|0.00090132|0.00200134|-0.00219661|0.00328215|0.13307749|0.26260452|0.00017174|-0.00048622|-0.00030923|-0.00063015|-0.00098793|-0.00003200|0.00047105|0.00005628|0.00017745|-0.00002825|0.00004396|-0.00002245|-0.00041768|0.00013064|-0.00004950|0.00037739|-0.00110172|0.00041518|0.00241869|-0.00090973|-0.00402623|0.00656990|-0.00477175|0.00403452|0.00699352|0.01083159|0.01164018|-0.05052966|-0.11238296|-0.11546169|-0.01646481|-0.01756579|-0.00139640|0.00156326|0.00094081|0.00048492|-0.00015830|0.00020713|0.00009298|-0.00001341|0.00003376|-0.00000133|0.00023314|0.00041828|0.00042367|0.00005318|-0.00002502|0.00001529|0.00004663|0.00000322|0.00000396|0.00004327|0.00000720|0.00002204|-0.00081690|-0.00114116|0.00012839|0.00054635|0.00198431|0.00118865|-0.00055367|-0.00062548|-0.00069663|-0.00303859|0.00239049|-0.00217987|0.05311516|0.12191290|0.10576956|-0.00002066|0.00002613|-0.00029359|0.00220723|0.00178988|-0.00118932|-0.00082080|0.00031311|-0.00040208|0.00002848|0.00135059|-0.00015832|-0.00835594|-0.00346566|-0.00217886|0.00097330|-0.00268454|0.00078948|0.00448336|-0.00794672|0.01697000|-0.00065773|-0.00111218|0.00116232|0.00048371|0.00074603|0.00132110|0.00117046|-0.00627971|0.01011876|-0.05637077|-0.00890120|0.00451892|-0.00871634|0.03265948|-0.02941780|-0.00002905|-0.00010011|0.00012610|-0.00025293|-0.00019773|0.00012872|-0.00006165|-0.00014095|-0.00002664|-0.00032494|0.00021729|0.00023234|-0.00014298|0.00009869|-0.00010183|-0.00027149|0.00025300|-0.00014757|0.00135550|0.00094725|-0.00041193|-0.00015755|-0.00000958|-0.00019324|-0.00075048|-0.00019275|0.00010564|-0.00079693|0.00072735|-0.00060626|0.00002583|0.00031086|0.00004814|0.06700238|0.00009186|-0.00018971|0.00020352|-0.00104292|-0.00111922|0.00033208|0.00070153|-0.00007977|0.00037793|-0.00003046|-0.00026283|0.00019660|0.00099066|-0.00149245|0.00105331|-0.00084038|-0.00430952|0.00130665|0.00457412|-0.00898237|0.02062335|-0.00157528|-0.00173958|-0.00024470|0.00008435|-0.00196497|-0.00216381|0.00085083|0.01607571|-0.01704658|-0.00266883|-0.15182082|0.12889159|0.00624389|-0.00878121|0.00916389|0.00001501|0.00013284|-0.00001878|0.00000789|0.00008547|-0.00011748|-0.00004251|0.00007998|0.00001988|0.00015885|-0.00007376|-0.00007405|0.00009820|-0.00007399|0.00004113|0.00014239|-0.00012419|0.00004835|0.00073640|0.00143135|-0.00098665|-0.00036071|0.00013262|0.00024431|-0.00056377|0.00023089|0.00049583|0.00133475|-0.00068506|0.00100579|-0.00049733|-0.00035546|0.00103719|-0.00840853|0.16388606|0.00004434|0.00027947|-0.00015796|0.00056901|0.00116461|-0.00033791|-0.00037960|-0.00004945|-0.00014937|0.00003028|0.00011599|-0.00006305|-0.00145867|-0.00193057|0.00015408|0.00016097|-0.00214730|0.00105669|0.00085815|-0.00436337|0.00564106|-0.00074903|0.00038517|-0.00101324|-0.00014492|-0.00360776|-0.00311175|0.00465058|0.01702407|-0.02322019|-0.00089392|0.13499827|-0.25616065|-0.00469970|0.00350766|0.00320165|0.00006353|-0.00019194|0.00008587|-0.00019283|-0.00002376|0.00027961|-0.00000946|-0.00010028|-0.00026158|-0.00004590|0.00005473|-0.00003067|-0.00005315|0.00000890|-0.00002118|-0.00004228|-0.00000060|-0.00001941|0.00069815|0.00056070|0.00138021|0.00009972|0.00013847|0.00013487|0.00005346|0.00029598|0.00032484|0.00194548|-0.00077875|0.00103022|-0.00011015|-0.00095088|-0.00022145|-0.00039408|-0.14438936|0.27147931|
160.10005
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
89.9335 109.1793 167.9094 182.8730 254.0399 263.9781 319.8732 401.3588 478.2977 536.4090 571.5637 611.9856 657.9989 714.7485 769.8578 802.7639 831.5936 835.6786 854.7707 919.0675 940.7856 984.8905 1025.7284 1034.3736 1072.1672 1079.9097 1093.2057 1103.4792 1139.8864 1151.2526 1172.7882 1184.6443 1230.0396 1245.3157 1274.4004 1309.6185 1354.9385 1372.3422 1391.6743 1426.4673 1446.3054 1462.8420 1480.3883 1485.2406 1516.2860 1531.9790 1572.6070 1612.0923 1622.4185 1633.5379 1634.6496 1847.4689 1864.4083 1932.1602 3197.7673 3209.7947 3214.3190 3236.3567 3253.5180 3262.7376 3264.3106 3266.9322 3300.3962 3365.2670 3392.1077 3415.7313
2.8822 3.5821 2.1020 1.4693 3.0534 2.1861 2.8828 3.5911 2.3729 3.2382 3.5201 3.6713 4.2547 3.1843 2.5068 3.4436 3.0160 1.2814 3.6986 2.7748 2.7086 2.8905 2.3243 2.0554 2.1183 2.4598 1.3597 1.9740 2.0582 2.0141 1.5664 2.3250 1.4915 1.8592 1.2040 1.1456 2.0237 1.9122 1.9819 1.7230 1.4285 1.3918 1.8529 2.2010 2.1948 1.9830 1.4113 1.1016 1.0468 1.1016 1.0764 6.3116 7.1144 11.0076 1.0719 1.0383 1.0675 1.0871 1.0868 1.1016 1.0978 1.0947 1.1018 1.0865 1.1046 1.0966
0.0137 0.0252 0.0349 0.0290 0.1161 0.0898 0.1738 0.3408 0.3198 0.5490 0.6775 0.8101 1.0853 0.9584 0.8754 1.3075 1.2289 0.5272 1.5922 1.3810 1.4125 1.6520 1.4408 1.2957 1.4347 1.6902 0.9574 1.4162 1.5757 1.5728 1.2694 1.9224 1.3296 1.6988 1.1521 1.1576 2.1889 2.1218 2.2615 2.0656 1.7606 1.7548 2.3925 2.8607 2.9731 2.7420 2.0564 1.6868 1.6235 1.7319 1.6946 12.6925 14.5704 24.2119 6.4578 6.3029 6.4983 6.7083 6.7780 6.9094 6.8923 6.8836 7.0710 7.2499 7.4884 7.5382
0.2829 1.4111 0.2214 1.6562 1.6887 2.1157 6.9374 4.9420 5.1131 0.4228 3.4041 3.7705 6.8448 13.3768 12.2415 23.0320 22.6134 12.6582 17.4278 14.1164 3.8242 9.9515 3.3638 22.9339 1.4619 12.8848 0.8831 6.9282 2.1405 7.8809 2.2850 6.4090 5.4117 1.1883 5.9014 11.3419 26.8035 78.2634 3.7959 6.6589 9.7246 41.1963 16.2714 134.9907 51.4847 44.6238 38.7899 1.2894 6.7545 2.7057 0.4261 0.6161 40.6422 269.1878 47.5123 25.1145 25.5576 28.8890 89.5657 30.2766 11.3588 23.5600 25.8899 12.9827 25.6523 7.9211
1.5962 3.1486 0.8118 0.9916 0.9986 0.7499 1.2909 2.2663 2.4011 2.2846 8.4379 8.2042 7.0690 3.5549 5.0258 2.8694 2.3568 4.6161 9.9470 8.7746 2.2072 3.0079 9.0896 1.9708 2.9178 1.5570 1.7804 4.3137 4.0776 5.3245 1.8697 7.1664 10.4318 13.4318 5.8184 6.5177 5.0784 3.0264 1.5926 2.5969 3.0090 5.1157 2.8284 6.0152 7.3203 6.9510 8.5839 24.2422 19.0349 19.1440 21.0242 33.3308 46.5952 10.5987 138.1674 120.7999 184.0805 68.3526 191.3852 62.8067 109.5612 85.8875 80.3022 77.1979 133.8695 121.1717
0.7485 0.6589 0.6264 0.7062 0.7459 0.7201 0.7475 0.5995 0.6232 0.5877 0.2974 0.6445 0.2962 0.7284 0.1531 0.6355 0.7500 0.5242 0.2913 0.2347 0.5948 0.6700 0.1294 0.4284 0.7436 0.4928 0.5569 0.7499 0.6425 0.4015 0.6891 0.5068 0.6026 0.5366 0.7386 0.7488 0.3009 0.6142 0.6590 0.6216 0.4659 0.4589 0.6726 0.3894 0.5202 0.3283 0.7365 0.5561 0.7474 0.5902 0.7476 0.1260 0.2381 0.5846 0.3097 0.0141 0.1758 0.7470 0.1246 0.7498 0.6017 0.6356 0.6882 0.6838 0.1332 0.2991
0.8562 0.7944 0.7703 0.8278 0.8545 0.8373 0.8555 0.7496 0.7679 0.7403 0.4584 0.7838 0.4570 0.8428 0.2656 0.7772 0.8571 0.6878 0.4512 0.3802 0.7459 0.8024 0.2292 0.5998 0.8529 0.6602 0.7154 0.8570 0.7824 0.5730 0.8159 0.6727 0.7520 0.6984 0.8497 0.8564 0.4626 0.7610 0.7944 0.7667 0.6357 0.6291 0.8043 0.5606 0.6844 0.4943 0.8482 0.7148 0.8555 0.7423 0.8556 0.2237 0.3846 0.7378 0.4730 0.0278 0.2990 0.8552 0.2216 0.8570 0.7513 0.7772 0.8153 0.8122 0.2350 0.4604
298.150
1.00000
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24
6 6 6 6 6 7 6 6 6 6 6 7 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 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
1009.92434 2043.03413 2670.76139
0.99990 0.01436 0.00194 -0.01434 0.99983 -0.01188 -0.00211 0.01185 0.99993
1
0.08576 0.04239 0.03243
1.78701 0.88336 0.67574
129.39 157.08 241.58 263.11 365.51 379.81 460.23 577.47 688.16 771.77 822.35 880.51 946.71 1028.36 1107.65 1155.00 1196.48 1202.36 1229.82 1322.33 1353.58 1417.04 1475.79 1488.23 1542.61 1553.75 1572.88 1587.66 1640.04 1656.40 1687.38 1704.44 1769.75 1791.73 1833.58 1884.25 1949.45 1974.49 2002.31 2052.37 2080.91 2104.70 2129.95 2136.93 2181.60 2204.18 2262.63 2319.44 2334.30 2350.30 2351.90 2658.10 2682.47 2779.95 4600.87 4618.18 4624.69 4656.40 4681.09 4694.35 4696.61 4700.39 4748.53 4841.87 4880.49 4914.48
0.218666
0.227715
0.228659
0.184164
-494.306055
-494.297007
-494.296063
-494.340558
1.492370D-04
MUNgauss
RevisionA2.1
retrievium
03-Jul-2022
GDB_13 Smiles: CC1=CCC2=NC3CC=CC3N12
RHF
6-31G(d)
(6D,10F)
C1
160.100048
|X|Y|Z|
33.251674 23.045996 13.233897
21.645398
11
|36.858105|
|12.748665|36.858105|
|7.471847|14.353892|36.858105|
|5.003815|8.146828|12.556463|36.858105|
|5.174877|8.391203|8.193317|12.631466|36.858105|
|4.029746|5.571414|5.352190|7.490839|15.189458|53.358707|
|4.090632|5.165998|4.434393|5.169231|8.719744|17.671757|36.858105|
|3.419878|4.031093|3.576488|4.023520|5.687733|10.424097|12.374133|36.858105|
|3.885081|4.396004|3.754802|3.913330|5.224604|7.994596|7.965235|12.630261|36.858105|
|5.244282|5.851319|4.535389|4.403365|5.985824|8.048148|7.902504|8.068032|14.443092|36.858105|
|5.844631|7.240616|5.260851|5.285445|8.359474|10.730796|12.150755|7.685717|8.102987|12.591336|36.858105|
|7.567866|13.538914|8.488196|8.116589|13.769316|11.491041|8.216878|5.423769|5.548806|7.539713|13.081306|53.358707|
|17.601313|8.949802|7.029923|4.565771|4.333253|4.683544|3.381156|2.915494|3.275520|4.163921|4.434008|7.604295|0.500000|
|17.544081|8.940873|5.890036|4.381230|4.688631|5.148844|3.968004|3.258264|3.579617|4.723635|5.621679|9.297377|0.300432|0.500000|
|17.552561|8.879884|5.846362|4.326374|4.684162|5.239632|4.086370|3.590001|4.335653|6.132737|6.019927|9.054446|0.301350|0.302033|0.500000|
|6.561711|8.929734|17.771437|8.289856|5.656433|5.651928|3.550479|2.997923|3.170683|3.732468|4.111649|7.915636|0.200579|0.145784|0.144460|0.500000|
|4.294290|6.267259|8.745222|17.524753|8.861103|8.606329|4.514884|3.516330|3.313016|3.647530|4.443236|8.632924|0.111669|0.110272|0.102120|0.194013|0.500000|
|4.180587|6.079962|8.657664|17.575302|8.865914|9.095588|4.615827|3.888083|3.805085|4.076892|4.504693|8.205279|0.109357|0.101034|0.105477|0.193550|0.302123|0.500000|
|3.631948|4.384746|3.828736|4.418745|6.692540|12.388230|17.574612|8.708067|5.843508|5.804932|8.572298|8.823417|0.084685|0.102110|0.099136|0.087577|0.114481|0.108884|0.500000|
|3.021173|3.410614|3.029784|3.334565|4.462179|7.736241|8.693001|17.509589|8.864811|6.296315|6.136366|6.008019|0.072289|0.082055|0.088276|0.072183|0.083731|0.089128|0.223065|0.500000|
|3.053775|3.644314|3.407636|3.987715|5.356557|10.250769|8.765673|17.578628|8.766725|6.021726|5.730663|6.360006|0.074233|0.079965|0.087792|0.080381|0.097398|0.112008|0.189302|0.302413|0.500000|
|3.385653|3.692274|3.259342|3.352277|4.158314|6.221453|5.565986|8.378781|17.708606|8.974824|5.624795|5.880987|0.081851|0.086378|0.106218|0.078923|0.079933|0.093196|0.124207|0.196002|0.200397|0.500000|
|5.813245|5.786163|4.424523|4.000596|4.940716|6.273219|5.528191|5.610561|8.960757|17.718483|8.340546|8.639134|0.128592|0.140086|0.212454|0.104642|0.092615|0.103773|0.123365|0.132173|0.127730|0.207976|0.500000|
|5.658913|6.120719|4.471530|4.328819|6.088834|7.911982|8.509711|6.063151|6.251821|8.792182|17.576181|12.357200|0.119000|0.167333|0.161755|0.101432|0.106930|0.102705|0.216814|0.152943|0.128683|0.131382|0.195102|0.500000|
494.158964
-2560.022167
937.573738
-69.586455
-1197.875920
703.351199
-494.524721
2.000740
406F7FFFFFFFFFFC
41A1D58831FFFFFB
413A8B35DF417CFF
40F22A3000000000
4033000000000000
41B48C648A000000