Version2.5
2023-01-04T14:43:21Z
10.1021/ja902302h
Gaussian16
RevisionB.01
RPOIRIER
01-Jan-2023
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
GDB_13 Smiles: CC1=NC2C(N1)C2C(=C)CC#C
RHF
6-31G(d)
(6D,7F)
CC1=NC2C(N1)C2C(=C)CC#C
C1[X(C10H12N2)]
66
C1
204
CC1=NC2C(N1)C2C(=C)CC#C
C#CCC(=C)C1C2C1NC(=N2)C
CC1=NC2C(N1)C2C(=C)CC#C
InChIKey=UPOWGUKWKLPNMO-UHFFFAOYSA-N
InChI=1S/C10H12N2/c1-4-5-6(2)8-9-10(8)12-7(3)11-9/h1,8-10H,2,5H2,3H3,(H,11,12)
InChI=1/C10H12N2/c1-4-5-6(2)8-9-10(8)12-7(3)11-9/h1,8-10H,2,5H2,3H3,(H,11,12)/f/h11H
CC1=NC2C(N1)C2C(=C)CC#C
C01[X(C10H12N2)]
66
C1
204
CC1=NC2C(N1)C2C(=C)CC#C
CCC[C@@H]([C@@H]1[C@H]2[C@@H]1N[C@@H](N2)C)C
CCC[C@H](C)[C@H]1[C@H]2N[C@H](C)N[C@@H]12
InChIKey=LEYPBBZUZBRKSW-WLRJLXCNSA-N
InChI=1S/C10H20N2/c1-4-5-6(2)8-9-10(8)12-7(3)11-9/h6-12H,4-5H2,1-3H3/t6-,7-,8-,9+,10-/m0/s1
InChI=1/C10H20N2/c1-4-5-6(2)8-9-10(8)12-7(3)11-9/h6-12H,4-5H2,1-3H3/t6-,7-,8-,9+,10-/m0/s1
4.939955946122D+02
-2.488319246814D+03
667.6572751647
-494.4326745
1-A
2172.5999
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|
-15.57691 -15.52662 -11.30361 -11.26128 -11.25600 -11.25295 -11.24317 -11.23151 -11.23046 -11.22955 -11.21732 -11.21579 -1.32447 -1.15268 -1.13642 -1.08661 -1.02436 -0.98977 -0.94369 -0.85359 -0.82037 -0.77587 -0.73867 -0.71720 -0.69713 -0.66396 -0.62808 -0.62128 -0.60777 -0.60200 -0.59196 -0.56594 -0.54263 -0.53496 -0.50872 -0.49818 -0.47487 -0.45127 -0.38542 -0.38388 -0.38116 -0.35949 -0.32055
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
0.17279 0.18920 0.21083 0.22383 0.24207 0.25981 0.27067 0.27589 0.28394 0.29807 0.31468 0.31911 0.32432 0.33347 0.33544 0.35483 0.36433 0.38033 0.41112 0.42054 0.44328 0.47075 0.47523 0.49278 0.51073 0.55430 0.58824 0.61974 0.65344 0.66637 0.70042 0.72486 0.73685 0.74364 0.77130 0.77971 0.79428 0.80328 0.81425 0.83159 0.84956 0.85301 0.87597 0.89995 0.90428 0.91291 0.93103 0.94070 0.95351 0.96793 0.98515 0.98942 1.00985 1.03321 1.04581 1.06638 1.07358 1.11012 1.11879 1.12794 1.13682 1.15174 1.15710 1.16249 1.18069 1.18658 1.18913 1.20162 1.20895 1.22459 1.23852 1.25303 1.26812 1.29294 1.32519 1.32942 1.41178 1.45191 1.46533 1.51202 1.53710 1.56256 1.60490 1.61898 1.64127 1.68344 1.70898 1.72069 1.76624 1.78391 1.81466 1.82333 1.85123 1.88269 1.88632 1.94075 1.96112 1.99333 2.03845 2.05701 2.08032 2.11900 2.14427 2.15918 2.17339 2.23115 2.23783 2.23946 2.26244 2.27678 2.30164 2.31220 2.34057 2.34783 2.37933 2.40579 2.45477 2.46095 2.50446 2.53911 2.54751 2.56498 2.59015 2.61162 2.66890 2.67868 2.73550 2.77377 2.79085 2.81148 2.86742 2.87415 2.90068 2.92875 2.96728 2.99144 3.01374 3.03295 3.07308 3.08638 3.12353 3.13811 3.17508 3.18499 3.32823 3.38734 3.45347 3.49579 3.80092 4.41514 4.52884 4.55486 4.59586 4.61307 4.69569 4.76984 4.82616 4.94012 5.00702 5.05961 5.15712
13.42436
-0.6002 -0.5074 -2.4711
2.5931
|XX|YY|ZZ|XY|XZ|YZ|
-72.5048 -66.7464 -71.5814 -5.4018 -5.3142 2.6440
|XX|YY|ZZ|XY|XZ|YZ|
-2.2273 3.5311 -1.3038 -5.4018 -5.3142 2.6440
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-13.7226 0.3201 -11.6602 -2.5159 7.4538 -8.5858 4.9442 -0.4214 3.8936 0.1028
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-1881.2003 -484.7695 -351.0491 -144.3106 -65.7120 2.4347 2.3777 -16.3397 7.0422 -422.9960 -450.6595 -140.3551 10.6548 4.2225 -4.1486
0
|0.61640639|-0.01758348|0.59135500|-0.02237386|0.00075432|0.67644301|-0.16979939|-0.08214922|0.00222102|0.50956936|-0.08545320|-0.19887628|-0.00392183|0.28764919|0.73250587|0.00405585|-0.00733134|-0.10411540|-0.04425927|0.26248896|0.80231166|-0.00057944|-0.01457289|-0.02476987|-0.12151114|-0.07959639|-0.07403840|0.32019421|-0.00606427|-0.01603437|-0.02853806|-0.05979228|-0.30150380|-0.27731313|0.19403886|0.47527790|-0.00628282|-0.00218257|-0.00008272|-0.02977802|-0.24827107|-0.46056325|-0.01730084|0.27875393|0.67109038|0.01031710|-0.00635072|0.00393933|-0.01718026|-0.03638714|-0.01074680|-0.17563345|-0.07968090|0.00825647|0.52794840|-0.00620283|0.00563638|-0.00620376|-0.03597370|-0.05152721|-0.02703825|-0.06234064|-0.15876393|0.00118001|0.03031173|0.74102918|0.00209838|-0.00302630|-0.00282318|-0.02711958|-0.02207902|0.00602536|0.05540120|0.03163407|-0.09497852|-0.12218595|0.19012851|0.46941978|0.00082113|-0.00021819|0.00196128|-0.02923023|-0.02281152|0.01231270|-0.01228959|-0.02075528|0.02503434|-0.05660714|-0.00437053|0.01292823|0.42451519|0.00033035|0.00158111|-0.00073885|-0.03964690|-0.02304789|0.03229716|0.00020059|-0.01060939|0.00365286|0.00268095|-0.07587346|-0.02236593|0.16188011|0.60072521|0.00526165|-0.00337341|-0.00514525|0.01976106|0.01882621|0.00343474|0.01864503|0.02469255|-0.02578431|0.07817011|-0.04147714|-0.19315275|0.01843678|-0.14620557|0.70588152|-0.01127955|-0.00590635|0.02276303|-0.15150020|-0.06732534|0.11539821|0.01719101|-0.00000239|0.03533028|0.00355505|0.01065060|0.00048505|-0.16060638|-0.07730226|-0.02820399|0.43522620|-0.02088999|-0.00107965|0.02897333|-0.04446059|-0.14841840|0.00765556|-0.00716964|0.02155622|-0.01997632|-0.00423580|-0.02689990|-0.02985247|-0.10169815|-0.17768142|-0.05480935|0.11676673|0.62734365|-0.00111631|0.00193989|0.00603159|0.07298160|0.02680767|-0.21206301|0.03409862|-0.04456555|-0.09642162|-0.00454638|-0.00753200|-0.03903094|-0.00863524|-0.03430464|-0.11290996|-0.23568640|0.28937010|0.64456532|0.00159164|-0.00213103|0.00109586|-0.00276675|0.00089869|-0.00328178|-0.02477252|-0.00068717|-0.00802731|-0.20354663|0.05597312|0.06904495|-0.09768500|0.00937536|-0.11935500|-0.02804666|-0.00171158|-0.00506785|0.67036685|0.00245925|-0.00233840|0.00099142|-0.00711508|0.00177034|0.00042957|-0.02596313|0.01076061|-0.01113972|0.05677507|-0.11769529|-0.02219357|0.01123720|-0.09115340|0.05030627|-0.03346104|0.00894863|-0.01450951|0.02182322|0.68398199|0.00062814|0.00052718|-0.00087635|-0.00417614|-0.00225269|0.00954265|0.01016030|-0.00469888|-0.00521314|0.02342920|-0.00258722|-0.03167917|-0.07702265|0.03211220|-0.15076322|-0.00626971|-0.00089707|-0.00622074|0.07406857|-0.04930861|0.33724681|-0.00002755|0.00024645|-0.00012549|-0.00177951|0.00045285|0.00003836|0.00301821|0.00025533|0.00070128|-0.00819792|0.02350552|-0.00963183|-0.01145733|0.00865181|-0.00131962|0.00320816|0.00107112|0.00028308|-0.11800982|0.05212636|-0.00546016|0.42624756|0.00019758|0.00003953|0.00028304|0.00033630|0.00121183|-0.00101661|-0.00192717|-0.00237602|0.00046072|0.00630374|-0.00248126|0.00256577|0.01107636|0.00189735|0.00372372|-0.00327581|-0.00100397|-0.00068737|0.04590001|-0.23484373|0.03011043|-0.04642351|0.64813382|0.00013376|-0.00022666|0.00004493|0.00037658|-0.00014891|-0.00153270|-0.00361518|0.00406979|0.00096514|-0.00359315|-0.02602241|-0.00042549|-0.00574283|0.03699760|-0.00827739|0.00392814|-0.00170781|0.00397002|-0.00299564|0.03261046|-0.09611851|-0.22559601|-0.26851418|0.72166354|0.00012194|-0.00012493|-0.00007985|-0.00027824|0.00077441|-0.00084167|-0.00250036|0.00192260|-0.00049311|0.00085210|-0.00179272|-0.00003731|0.00011921|0.00294562|-0.00191363|-0.00044334|-0.00029505|0.00065703|0.01127498|0.00687021|-0.01020306|-0.14108339|-0.05474942|0.14393105|0.46934455|0.00006140|-0.00003645|-0.00016440|0.00027763|-0.00068368|0.00144910|0.00112072|0.00088665|-0.00053845|-0.00183543|0.00170946|-0.00101673|-0.00518376|-0.00531399|-0.00041773|0.00054433|0.00240814|-0.00075969|-0.00496801|-0.01859069|0.03260521|-0.05847097|-0.26759269|0.23990816|-0.15124823|0.68779910|-0.00002468|0.00015575|0.00001823|-0.00123802|0.00132465|0.00121698|-0.00154418|-0.00004179|-0.00211976|0.00024719|-0.00071783|0.00089871|0.00096115|-0.00084547|0.00015580|0.00100974|0.00014043|-0.00042213|0.00056649|0.00867898|-0.00157150|0.14622709|0.23629653|-0.44484076|-0.29721134|-0.25193505|0.72699484|-0.00004371|-0.00001852|-0.00005812|-0.00028634|-0.00027707|0.00039468|0.00071170|-0.00014585|-0.00004600|0.00107969|0.00166691|0.00097339|0.00078596|-0.00094067|0.00003413|0.00035152|-0.00032751|-0.00002432|-0.00971347|0.01004622|0.00907968|-0.15011034|0.03330574|0.05994096|-0.00553039|0.00542677|0.01242230|0.55398598|-0.00001939|-0.00003214|0.00004324|0.00019812|-0.00026907|-0.00053755|-0.00047004|0.00132727|0.00002267|-0.00262840|-0.00640951|-0.00014493|-0.00044469|0.00175929|-0.00043438|-0.00017105|0.00011072|0.00073229|0.02950387|-0.01092729|-0.01987581|0.04110632|-0.11688138|-0.02940033|-0.01241202|0.01202259|0.01221937|-0.01537851|0.62821215|0.00004773|0.00001627|-0.00012354|-0.00013935|-0.00029820|0.00139220|0.00046194|-0.00025911|-0.00076709|0.00001475|0.00318265|0.00156231|0.00139281|-0.00064906|0.00020839|0.00010315|-0.00005421|-0.00127135|-0.00504132|0.00090819|0.00796847|0.05774760|-0.02307090|-0.14739750|0.02717726|-0.00990409|-0.01993411|0.03428935|-0.03541568|0.59611022|0.00000261|-0.00000172|-0.00000275|-0.00000906|-0.00000615|0.00002876|-0.00009588|0.00022307|-0.00006502|-0.00017766|-0.00099803|-0.00001464|-0.00019060|-0.00023374|-0.00022670|-0.00008041|0.00002397|0.00007886|0.00086329|0.00118602|0.00002535|-0.03006520|-0.01527418|0.00702631|-0.00026256|0.00157659|-0.00022605|-0.22612735|-0.10233935|0.00415522|1.14852202|-0.00000924|-0.00002883|0.00001373|-0.00010443|-0.00016551|-0.00033493|0.00024086|-0.00002158|0.00015605|-0.00003916|-0.00014006|-0.00002817|-0.00003121|0.00001175|-0.00002183|-0.00003928|-0.00012956|0.00021702|0.00188472|0.00048026|-0.00090923|0.00385762|0.01278557|0.00649041|0.00194109|-0.00140995|-0.00169095|-0.09930814|-0.15667565|0.00410621|0.71885393|0.62680239|-0.00001143|-0.00002266|0.00003867|0.00011704|0.00001684|-0.00058005|0.00005957|-0.00005560|0.00036672|-0.00008028|0.00023799|-0.00020031|-0.00018672|-0.00013110|0.00007010|-0.00024868|0.00004624|0.00027513|-0.00074961|-0.00002536|0.00024062|0.02236702|0.01929723|-0.00124152|0.00301152|-0.00230870|-0.00137473|0.00637939|0.00540217|-0.07934902|-0.05560885|-0.03566047|0.12431017|0.00004772|-0.00002618|0.00000809|0.00030091|0.00014271|0.00013270|-0.00031895|0.00006495|-0.00008278|0.00020770|0.00020044|0.00014857|0.00029117|-0.00013909|0.00022765|-0.00030120|0.00012836|-0.00028148|-0.00052628|-0.00031697|0.00046471|0.00226282|-0.00335925|-0.00214257|-0.00130228|0.00117347|0.00090512|0.00585083|-0.00238562|-0.00013273|-0.88663218|-0.58716099|0.04515576|1.20439247|0.00001168|-0.00001122|-0.00001289|0.00020300|0.00000183|0.00001487|0.00007564|0.00020132|0.00009422|-0.00000749|0.00061607|-0.00005458|-0.00023467|-0.00015407|-0.00001420|0.00008383|0.00023876|-0.00013759|-0.00042530|-0.00148847|0.00026568|0.00139925|-0.00393428|-0.00240074|-0.00125439|0.00118173|0.00086183|-0.00343232|0.00663547|0.00031618|-0.58800842|-0.45993141|0.03128689|0.79537510|0.62769619|-0.00001309|0.00000390|0.00000289|0.00002300|-0.00002964|-0.00012894|0.00005179|0.00002334|0.00015350|-0.00011919|-0.00001312|-0.00006034|-0.00004518|0.00020210|-0.00002756|0.00011432|-0.00006541|0.00018764|0.00005496|-0.00016816|0.00001014|-0.00056236|-0.00122305|0.00043749|-0.00020847|0.00024357|0.00033898|-0.00012396|0.00008249|0.00878203|0.04452132|0.03069720|-0.05095919|-0.05999964|-0.04063894|0.07177801|-0.14914452|-0.00849244|0.13536943|-0.01393450|0.00270143|0.02397223|0.00219690|0.00191436|-0.00101175|0.00005580|0.00001954|-0.00003738|0.00036057|-0.00003047|0.00121842|-0.00176312|-0.00473336|-0.00173754|-0.00014331|0.00001967|0.00009097|0.00004248|-0.00014576|0.00000355|-0.00004738|0.00012482|0.00004078|0.00000454|0.00003422|0.00000855|0.00000439|-0.00000679|-0.00002149|-0.00000640|0.00000551|-0.00000428|0.15589185|-0.00504025|-0.05810584|0.00600020|-0.01723574|0.00042130|0.03151593|0.00241639|0.00147804|-0.00040864|0.00038351|0.00002166|0.00016835|-0.00062457|0.00024770|0.00130916|-0.00429585|-0.00543822|-0.00280510|-0.00013980|-0.00007258|0.00011439|0.00004624|-0.00008922|0.00001872|0.00000521|0.00005170|0.00000229|0.00000063|0.00000265|-0.00000612|-0.00000009|0.00000327|0.00000441|0.00000227|0.00000969|0.00000116|0.00987415|0.05897245|0.14075732|0.01186144|-0.27309570|-0.00332728|0.00001979|0.00240039|-0.00094944|-0.00056838|0.00068220|-0.00003815|0.00039792|0.00004298|-0.00016879|-0.00052542|0.00031878|0.00019315|-0.00086760|0.00114330|0.00005135|0.00005572|0.00004161|-0.00000468|0.00004129|-0.00001561|-0.00000482|-0.00001252|0.00000957|-0.00001331|-0.00000838|-0.00000840|-0.00000270|-0.00000512|0.00000369|0.00001764|0.00000556|-0.00000015|-0.15207554|-0.01030543|0.28940139|-0.13440461|0.12394429|0.01594229|0.01862393|-0.02376680|-0.00328706|-0.00154627|-0.00127037|0.00022750|-0.00200094|0.00092951|-0.00029734|-0.00008566|-0.00026688|-0.00107561|0.00026844|0.00180102|0.00044632|-0.00048458|-0.00067395|-0.00023361|0.00008049|-0.00016957|0.00031065|0.00021719|0.00027557|-0.00014306|-0.00008841|0.00002564|-0.00001706|0.00000447|-0.00001530|-0.00000721|0.00002943|0.00003466|-0.00000065|-0.01008574|0.01698449|-0.00018714|0.14154865|0.12467096|-0.26421461|-0.02117465|0.01904447|-0.02444873|-0.00511890|-0.00238629|-0.00227562|0.00133297|-0.00195561|0.00143561|-0.00040862|-0.00043618|-0.00025942|-0.00069537|-0.00034038|0.00155160|-0.00033834|-0.00049215|-0.00095821|-0.00054279|0.00003534|-0.00041503|0.00041153|0.00027013|0.00041334|-0.00016513|-0.00008347|0.00008034|-0.00005329|0.00000132|-0.00000799|0.00000590|0.00004205|0.00007054|0.00000485|-0.00174674|0.00397595|-0.00069462|-0.13701335|0.28661093|0.01537033|-0.02142455|-0.05868345|0.00084029|-0.00267333|-0.00213238|-0.00083521|-0.00151405|0.00029242|-0.00052512|0.00070112|-0.00042077|0.00023584|0.00015302|0.00022188|0.00029459|0.00012166|-0.00026257|-0.00000868|-0.00035426|0.00000562|0.00002492|-0.00016709|0.00023893|0.00016975|0.00027013|-0.00009140|-0.00004895|0.00004068|0.00002999|0.00000668|-0.00002178|-0.00003557|0.00002393|0.00002743|-0.00000657|0.01510519|-0.02844232|-0.00011459|-0.01549696|0.02533465|0.05613482|-0.16467129|0.01413077|-0.13535357|-0.01230388|0.00581444|-0.01990637|-0.00226017|-0.00268945|0.00000975|0.00108364|-0.00084792|-0.00031578|0.00001948|-0.00076475|0.00012762|0.00178863|0.00032238|0.00146046|0.00026220|0.00023191|-0.00025177|0.00000258|0.00002248|-0.00002385|-0.00007036|-0.00007081|-0.00002677|0.00001056|0.00001995|-0.00006633|-0.00000250|0.00002327|0.00002335|-0.00003333|-0.00001480|0.00000931|0.01678874|-0.00232793|0.01614524|-0.01161343|0.00149262|-0.01524103|0.17234247|0.01461894|-0.05908225|0.02375800|-0.01894934|0.00609211|-0.02874826|-0.00383378|-0.00405326|-0.00046813|0.00177716|-0.00196664|-0.00012112|0.00023074|-0.00045326|0.00013421|0.00170285|0.00060517|0.00097705|0.00039492|0.00037490|-0.00023210|-0.00003441|-0.00008514|0.00013937|0.00008864|0.00011177|-0.00006929|-0.00001867|0.00004014|-0.00001504|0.00000225|0.00000577|-0.00000067|0.00000693|0.00001271|0.00000015|0.00063578|-0.00107750|0.00064530|0.01935856|-0.00122064|0.02756779|-0.01525156|0.06083169|-0.13695068|0.02249989|-0.24111243|0.00125404|-0.00169107|-0.00127882|-0.00163887|-0.00028221|0.00035472|0.00011667|-0.00020825|0.00037181|-0.00012070|-0.00073447|0.00029413|0.00065444|0.00058308|0.00036414|0.00014120|0.00012166|-0.00020317|-0.00001265|-0.00002751|0.00003264|0.00001183|-0.00003341|-0.00003996|0.00002403|0.00001271|-0.00001851|0.00000379|0.00001772|0.00001061|-0.00003392|-0.00001525|0.00000644|-0.01978726|0.00308758|-0.02067151|0.00343188|0.00073411|0.00483891|0.15320082|-0.02396942|0.25684283|-0.00080697|0.00044904|-0.00160757|-0.00361625|-0.00431312|0.00411349|0.00286010|-0.02797904|-0.01411732|-0.05739631|0.03038192|0.01945888|-0.00482904|-0.00248802|0.00082966|0.00055986|-0.00065460|-0.00309912|-0.00229696|0.02838100|0.01206022|-0.00206585|-0.00103631|0.00542431|0.00005320|0.00013837|-0.00002249|-0.00051778|0.00170056|-0.00094010|0.00024068|0.00007736|-0.00000577|-0.00018625|-0.00014097|0.00000452|0.00004040|0.00005103|0.00005634|0.00002559|-0.00008690|-0.00000791|-0.00034061|-0.00049579|-0.00009797|0.06587126|-0.00034723|0.00038247|-0.00126597|-0.00323331|-0.00275885|0.00527730|-0.00128101|-0.01658020|-0.00978935|0.02566214|-0.32654756|-0.11672986|0.00143719|0.00680054|0.00191816|0.00014750|0.00149128|0.00060004|-0.00015717|-0.00741831|-0.00425357|0.00087846|0.00046285|-0.00156970|0.00017406|0.00009622|-0.00001501|0.00003853|-0.00064675|0.00034646|-0.00010317|-0.00004690|0.00000629|0.00010458|0.00008383|0.00001264|0.00003956|0.00003648|0.00002676|-0.00001375|-0.00012834|-0.00000075|-0.00030001|-0.00040411|-0.00008685|-0.02394605|0.34313869|0.00019845|-0.00039718|0.00102028|0.00314849|0.00191802|-0.00364611|-0.00433015|0.01168098|0.00897529|0.01852421|-0.11811782|-0.10864421|0.00211031|-0.02712747|-0.00208473|0.00172246|-0.00464012|-0.00354911|0.00200015|0.00996469|0.00025651|-0.00152786|0.00050825|0.00185094|-0.00004142|-0.00017819|0.00009460|-0.00031174|0.00070212|-0.00045594|0.00007312|0.00004622|0.00001631|-0.00002839|-0.00005365|-0.00000524|-0.00005611|-0.00006367|0.00000544|-0.00000114|0.00007939|-0.00004493|0.00029071|0.00027634|0.00006898|-0.02027380|0.12586583|0.10338377|-0.00033817|0.00012532|0.00120859|-0.00122790|-0.00367892|0.00010268|-0.00233631|-0.00268364|0.00392436|-0.00171149|-0.01499727|0.00165340|-0.06000200|-0.04231276|0.03142672|-0.00739309|-0.01430836|0.01437322|0.00576276|0.02252080|-0.01377374|0.00090749|-0.00247388|-0.00581965|-0.00094855|0.00207927|0.00012166|0.00015709|-0.00006229|-0.00043322|0.00012377|0.00006607|0.00007710|-0.00010717|-0.00015303|0.00008885|-0.00026024|-0.00029496|-0.00006288|0.00003861|-0.00003466|-0.00009075|0.00004795|0.00000101|-0.00010579|0.00106257|0.00065241|-0.00200290|0.06541290|-0.00066895|0.00022784|0.00128271|0.00167416|-0.00518661|-0.00693090|0.00138796|0.00372118|-0.00181284|0.00098764|0.01409175|-0.00420212|-0.04392778|-0.21636507|0.15479651|-0.01193328|-0.01676083|0.01658815|-0.00248962|-0.00560383|0.00185938|0.00000686|0.00091931|0.00208493|0.00045269|-0.00064782|-0.00010007|-0.00010725|-0.00002604|0.00038099|-0.00002143|-0.00004792|-0.00002262|0.00006888|0.00010304|-0.00008272|-0.00034888|-0.00030741|-0.00003271|0.00010026|0.00014713|0.00001143|0.00002530|0.00004072|0.00003238|0.00017112|0.00004064|0.00203620|0.05531103|0.22604960|-0.00075010|0.00023634|0.00082068|0.00069225|-0.00376478|-0.00628189|0.00086419|0.00389983|-0.00063157|-0.00425406|0.01609849|-0.00822895|0.03882663|0.15796886|-0.21099953|-0.00545567|-0.01320998|0.01933641|0.00355478|0.00460651|-0.01098379|0.00090101|-0.00106935|-0.00112510|-0.00041378|0.00048237|0.00000252|0.00004044|0.00011377|-0.00014874|0.00004406|0.00007633|0.00001999|-0.00008718|-0.00008614|0.00005168|-0.00027726|-0.00020006|0.00000539|0.00009723|0.00017018|0.00001794|0.00002451|0.00003638|0.00007321|0.00100120|-0.00103023|0.00227870|-0.03406320|-0.16506975|0.21491371|0.00088447|-0.00078005|-0.00023632|-0.00137381|0.02439949|-0.00611292|0.00246502|-0.00025218|0.00939564|-0.00582216|-0.00738913|-0.00084282|0.01266799|-0.01413178|-0.02212633|-0.09955824|0.07829371|0.13590097|0.00173346|0.00037261|-0.00017606|-0.00004396|-0.00005037|-0.00063159|-0.00004552|0.00036267|0.00020440|-0.00045682|-0.00003120|-0.00075828|-0.00002579|-0.00011660|0.00022787|0.00026624|0.00021728|-0.00002147|0.00007826|0.00019289|-0.00040112|-0.00016780|-0.00042542|0.00034998|-0.00102101|-0.00016572|-0.00011428|0.00004927|0.00062003|-0.00113175|-0.00006719|-0.00030614|0.00037761|0.09095588|0.00031753|0.00038079|0.00000291|-0.00229164|0.01443969|0.01460014|-0.00319640|-0.00171176|0.00610128|-0.00102876|-0.00436129|-0.00191757|0.01425140|-0.01125820|-0.01045178|0.07389455|-0.28670507|-0.23114019|-0.00008798|0.00214588|0.00177106|-0.00013144|-0.00000091|-0.00084020|-0.00027862|0.00004933|0.00009345|0.00009306|-0.00000563|-0.00026631|0.00002649|-0.00000636|0.00001724|-0.00007961|-0.00006502|0.00003269|0.00019544|-0.00013744|-0.00002543|-0.00031351|-0.00049442|0.00038157|0.00016897|0.00024313|-0.00008609|-0.00035017|0.00046902|-0.00159555|-0.00050215|-0.00158485|-0.00014574|-0.08106354|0.28842950|-0.00047371|-0.00005348|0.00089398|0.00483801|-0.02475279|-0.02310482|0.00318094|0.00364856|-0.00239853|-0.00024442|-0.00214570|0.00059146|0.00015703|-0.00035944|-0.00292196|0.10666324|-0.20161085|-0.20367989|0.00152115|0.00003695|-0.00164608|-0.00059029|0.00010129|0.00007560|0.00039201|0.00023459|-0.00014467|-0.00031832|0.00009251|0.00000498|0.00002996|-0.00011465|0.00003613|0.00022642|0.00015192|-0.00007318|-0.00060094|0.00017721|-0.00021006|0.00023012|0.00100431|0.00007999|-0.00036528|-0.00001468|-0.00005216|-0.00004295|0.00006203|0.00037113|0.00013629|0.00042354|-0.00041074|-0.11438733|0.22301533|0.23204683|0.00083116|-0.00072606|0.00008761|-0.00087664|-0.00026853|0.00084271|-0.00314485|0.00342877|-0.00319459|-0.01818640|-0.01975432|-0.00228412|-0.00705934|-0.00657420|0.00011081|-0.00128272|0.00220385|0.00059138|-0.20388443|-0.14739360|-0.01911439|0.01380518|0.00943659|0.00165204|-0.00100085|0.00173918|-0.00026174|0.00021586|-0.00090687|-0.00011173|-0.00114668|0.00069976|0.00042077|-0.00037550|0.00026404|0.00003473|-0.00002797|0.00001977|0.00002171|-0.00027406|-0.00033707|-0.00007590|-0.00002797|0.00003067|0.00000271|0.00165026|-0.00037660|0.00176155|0.00082119|-0.00026742|-0.00105124|-0.00000963|0.00009153|-0.00002632|0.22047790|-0.00034632|0.00028142|-0.00006861|0.00123645|0.00056660|-0.00063892|0.00204864|-0.00065998|0.00161222|0.00984777|0.00835349|-0.00015268|0.00149743|0.00025842|0.00152057|0.00018477|-0.00016204|-0.00068409|-0.15401751|-0.22088370|-0.01532741|-0.02308124|-0.02230235|0.00054501|0.00292319|-0.00285613|-0.00121046|-0.00043589|0.00001271|0.00051838|-0.00017103|-0.00041963|-0.00046661|0.00018286|0.00099269|0.00022872|0.00001779|-0.00001127|-0.00000478|0.00011163|0.00020946|0.00008189|-0.00000781|0.00000487|0.00000212|-0.00012852|0.00172336|-0.00113028|0.00010451|0.00153568|0.00075157|0.00008946|-0.00010432|0.00018635|0.15905503|0.23328547|-0.00046971|0.00019786|0.00047950|0.00272501|-0.00080544|-0.00680976|0.00559544|-0.00040674|0.00343039|0.01419014|0.01953872|0.00052666|-0.02355449|-0.02905951|-0.00049793|-0.01110510|0.00099067|-0.00171871|-0.01586178|-0.01245679|-0.04590429|0.00708807|0.00904848|0.00119382|-0.00064343|0.00047286|0.00034112|-0.00003392|-0.00016747|-0.00000332|0.00014926|-0.00027607|0.00005001|-0.00005745|0.00015129|-0.00021271|-0.00008903|-0.00014576|0.00005365|0.00010384|0.00013625|0.00007392|0.00013466|0.00006697|0.00004932|-0.00272485|0.00077960|-0.00020165|0.00324201|-0.00107640|0.00110514|0.00002206|0.00024475|0.00017345|0.02155464|0.01276065|0.04833792|-0.00000282|0.00014033|-0.00000846|-0.00023844|0.00075575|0.00097840|-0.00051585|-0.00000646|-0.00115382|-0.00007486|-0.00028039|0.00025256|-0.00025730|-0.00206227|0.00050071|-0.00010162|0.00002777|-0.00056508|0.00757845|0.00308167|0.00744113|0.00915699|-0.00874239|0.00382659|-0.11002001|0.12339022|-0.01479337|-0.00426964|-0.00363804|-0.00352447|-0.00056588|-0.00018435|0.00097583|-0.00011345|-0.00007930|-0.00004726|-0.00000880|0.00001126|0.00000974|-0.00004361|-0.00011383|-0.00009426|-0.00000694|-0.00007923|-0.00000465|0.00001798|-0.00004582|-0.00000848|0.00050597|-0.00025097|0.00006826|0.00010179|0.00007551|-0.00000479|-0.00082906|0.00138233|-0.00084630|0.10229497|0.00001061|-0.00005300|-0.00001092|-0.00026205|-0.00020178|-0.00023972|0.00039819|0.00013730|0.00008940|-0.00055385|0.00049451|-0.00035520|-0.00080825|-0.00186419|0.00064251|-0.00001037|0.00016205|0.00017627|0.00354028|0.00312752|0.00624693|0.01116281|-0.01338651|0.00171400|0.11885684|-0.30598764|0.05983402|-0.00211833|-0.00151316|-0.00374329|-0.00064351|0.00027610|0.00057792|-0.00006642|-0.00001324|-0.00006800|0.00001155|0.00000789|-0.00001089|-0.00000217|0.00003834|0.00001124|0.00001833|0.00003128|0.00001453|0.00008404|-0.00006617|0.00002168|0.00062428|-0.00025147|0.00014554|0.00000639|0.00003913|-0.00007198|-0.00037063|0.00039395|-0.00027040|-0.13283751|0.32210926|0.00000782|0.00002199|0.00004066|-0.00003519|0.00007441|-0.00030083|0.00000665|-0.00021849|0.00026263|0.00009629|-0.00004008|0.00024478|0.00052414|-0.00030027|0.00063049|-0.00049495|-0.00029659|0.00003857|0.00823635|0.00399790|0.00098350|-0.01190832|0.02822613|-0.00053177|-0.01174995|0.05409475|-0.07428643|-0.00481598|-0.00087348|-0.00207611|-0.00035728|-0.00007557|0.00082202|-0.00027185|-0.00026806|-0.00007745|-0.00001254|-0.00001704|-0.00000189|-0.00002758|-0.00005176|-0.00003624|0.00001876|-0.00001381|0.00000882|-0.00009264|0.00002939|-0.00005428|-0.00004305|-0.00004592|0.00000359|-0.00004890|-0.00000010|0.00001188|-0.00097508|0.00190815|-0.00090409|0.01311367|-0.06742493|0.06745689|0.00008912|-0.00002073|0.00006737|-0.00017061|0.00008576|-0.00091487|-0.00097234|0.00049690|-0.00086766|0.00078036|0.00001087|0.00010489|0.00017908|0.00081242|-0.00070339|-0.00003883|0.00009989|0.00031448|-0.00441649|-0.00227907|-0.00413799|-0.00174621|0.00530974|0.00510495|-0.21639212|0.08172632|0.15250574|0.00770249|0.00321899|0.00625358|0.00130540|-0.00033678|-0.00150950|0.00006154|0.00007776|0.00002476|-0.00007427|-0.00001642|-0.00001270|-0.00001131|-0.00004208|-0.00001148|0.00001782|0.00000530|0.00003686|0.00004195|-0.00007831|0.00005557|-0.00031563|0.00011783|-0.00004908|-0.00010770|0.00001747|-0.00002981|0.00035101|-0.00078623|0.00057959|-0.00365446|0.00311122|0.00732735|0.21900596|-0.00001231|-0.00001195|-0.00004196|0.00036338|0.00000926|-0.00000025|0.00080706|-0.00089399|0.00076591|0.00072632|-0.00028655|0.00027722|-0.00023060|0.00067400|-0.00042566|0.00006118|-0.00003849|-0.00034959|-0.00380747|-0.00060805|-0.00216950|-0.01466649|0.01231727|0.01379529|0.08555678|-0.10363499|-0.06426590|0.00417945|0.00068242|0.00654593|0.00075397|0.00026041|-0.00084804|-0.00006592|-0.00005239|-0.00000421|-0.00008194|0.00002607|0.00000826|-0.00004521|-0.00008948|-0.00010030|-0.00000464|-0.00005109|0.00002386|0.00002117|-0.00007419|0.00002351|-0.00014965|0.00007135|-0.00008790|-0.00004680|-0.00001965|-0.00001847|0.00022266|-0.00046449|0.00033256|0.01983282|-0.00502429|-0.01835028|-0.09169529|0.09618614|-0.00006615|-0.00013928|0.00011247|0.00039771|-0.00087007|-0.00226627|0.00058428|-0.00025454|0.00144835|0.00008831|0.00137851|-0.00024831|0.00025530|0.00072764|-0.00001275|-0.00050525|-0.00004424|0.00087539|-0.00337421|-0.00309203|-0.00210227|0.02172168|-0.01145876|-0.01268913|0.14602369|-0.05891794|-0.18486456|0.00559835|0.00672095|0.00241597|0.00125960|-0.00077357|-0.00200078|0.00049414|0.00047669|0.00010801|-0.00004905|0.00000100|-0.00000083|-0.00001923|-0.00000176|-0.00006354|0.00008055|0.00004150|0.00004780|-0.00010972|-0.00006291|0.00002937|-0.00022020|0.00005515|0.00007242|-0.00013439|0.00000848|-0.00008011|0.00021749|-0.00055993|0.00035953|-0.00579215|0.00309808|0.00883628|-0.16549162|0.06368981|0.18934493|0.00000361|0.00001081|-0.00004666|-0.00046071|0.00001659|0.00085273|-0.00019512|-0.00000568|-0.00042917|0.00001160|-0.00037053|-0.00025799|-0.00019393|0.00073159|-0.00016281|0.00037766|-0.00013615|-0.00012655|0.00084916|-0.00098593|-0.00059427|0.01259945|0.00091321|0.02729220|-0.00260004|0.00181018|0.00158467|-0.09664558|-0.00364770|-0.09888930|-0.01818243|-0.00458984|-0.03102632|-0.00096378|-0.00184225|0.00198964|0.00003669|0.00000267|-0.00000601|-0.00000905|-0.00001236|0.00003002|-0.00000860|0.00000047|-0.00000746|0.00009867|-0.00004500|-0.00000604|-0.00003288|-0.00003442|-0.00001066|-0.00056360|0.00013821|-0.00032713|-0.00001897|0.00003235|-0.00003413|0.00082799|0.00039040|0.00066366|-0.00174049|-0.00149507|-0.00068982|0.11044151|-0.00002992|0.00003784|0.00003583|0.00024993|0.00018669|-0.00027169|-0.00011578|-0.00010488|0.00025559|-0.00016416|0.00025867|0.00013242|0.00054311|-0.00016128|0.00046536|-0.00013901|-0.00015260|0.00014174|-0.00076381|0.00033606|-0.00054999|-0.00512542|0.00032006|-0.01264274|0.00115185|-0.00087760|-0.00008745|-0.00434960|-0.06025206|-0.01411523|-0.01357559|-0.00362766|-0.02394582|-0.00123160|-0.00050064|0.00144142|-0.00001230|-0.00002235|0.00000370|-0.00002277|-0.00004729|-0.00000911|-0.00000054|-0.00001291|-0.00000387|-0.00011220|0.00005407|0.00005179|0.00009785|-0.00014388|0.00002832|0.00021784|0.00026165|0.00004230|-0.00000853|0.00003147|-0.00011782|-0.00002767|0.00037995|-0.00002357|0.00026617|0.00061463|-0.00003139|0.00930318|0.05895675|-0.00000663|-0.00005089|0.00008044|0.00054569|0.00000446|-0.00122024|0.00009397|0.00012322|0.00085211|-0.00036469|0.00037590|0.00010057|0.00023240|-0.00086787|0.00098068|-0.00062650|0.00017426|0.00049785|-0.00054018|0.00099075|0.00003234|-0.00633847|0.00118145|-0.02340244|0.00272843|-0.00276272|-0.00097613|-0.10012740|-0.01447651|-0.29260588|-0.00205202|-0.00180251|0.00504625|0.00076899|0.00052834|0.00018441|-0.00005202|0.00000491|0.00001089|0.00000030|0.00003036|-0.00005208|0.00002122|0.00000493|0.00001228|-0.00008393|0.00001921|0.00012138|0.00019568|-0.00010591|0.00007875|0.00043658|0.00010071|0.00039142|0.00000624|-0.00006224|0.00002248|-0.00083976|-0.00065185|-0.00050809|0.00151173|0.00119742|0.00031520|0.10791758|0.01576456|0.31857112|-0.00001168|0.00005364|0.00000402|0.00011061|0.00023947|0.00019007|-0.00006928|-0.00036257|-0.00005821|0.00070517|0.00163505|0.00051096|0.00084275|-0.00069920|0.00037636|-0.00023967|-0.00014900|-0.00033505|-0.00399935|0.00115709|0.00398052|-0.00713708|0.02429726|-0.00891102|0.00045682|0.00003682|-0.00129075|-0.07949949|0.07173043|-0.02187018|0.00835103|-0.03493917|0.01077444|-0.00303025|-0.00020113|-0.00056343|-0.00000769|-0.00001707|0.00000688|-0.00002039|-0.00005386|-0.00001439|-0.00001035|-0.00002748|-0.00001142|-0.00052676|0.00017961|-0.00016349|-0.00008587|0.00004156|-0.00007454|0.00009087|0.00005218|0.00006154|0.00004005|0.00020119|-0.00000990|0.00022704|-0.00056833|0.00083838|0.00013367|-0.00022573|-0.00021475|-0.00383730|0.01369134|-0.00337078|0.08816604|-0.00000530|-0.00002375|0.00000404|0.00000240|-0.00012187|-0.00022813|0.00010525|0.00027702|0.00013093|-0.00058915|-0.00068694|-0.00024915|-0.00035901|0.00019954|0.00002967|0.00014542|0.00008694|0.00024418|0.00251628|0.00060619|-0.00202757|0.00395083|-0.01214706|0.00459072|-0.00176403|0.00084650|0.00154231|0.07518815|-0.30178151|0.07153428|-0.00021704|-0.02263526|0.00628975|-0.00101340|0.00089243|-0.00031640|0.00000493|0.00000766|-0.00000336|0.00000961|0.00003442|0.00000659|0.00000969|0.00001389|0.00000689|0.00025196|-0.00009227|0.00013394|0.00004963|-0.00001715|0.00002782|0.00001433|-0.00001168|-0.00002067|-0.00023483|0.00020403|0.00007171|-0.00033572|0.00120817|-0.00036174|-0.00015502|0.00039808|-0.00002840|-0.00006573|0.00459889|0.00029397|-0.07712362|0.32762306|-0.00002462|0.00001177|0.00003492|0.00017656|0.00006656|-0.00040834|-0.00016481|0.00021036|0.00017567|-0.00042717|-0.00112387|0.00006489|0.00006686|0.00014782|0.00037047|-0.00005741|-0.00004198|0.00036663|0.00395602|-0.00047021|-0.00304147|0.00676134|-0.02387039|0.00711294|-0.00007450|-0.00090836|0.00059802|-0.02362743|0.07510156|-0.08088538|0.00115437|-0.00052048|-0.00042970|-0.00004115|-0.00000890|0.00080567|-0.00000065|-0.00001041|0.00000018|0.00000369|0.00000445|0.00000507|0.00000946|0.00000514|0.00000324|0.00027465|-0.00013203|0.00021501|0.00009906|-0.00009730|0.00004723|0.00021736|0.00011427|0.00002016|-0.00023594|0.00018776|0.00000059|0.00055316|0.00028200|-0.00054414|-0.00023913|-0.00003495|0.00027444|-0.00884026|0.03253282|-0.00831199|0.02050920|-0.08147601|0.08354412|-0.00000720|0.00000184|-0.00000539|-0.00006095|-0.00004659|-0.00002444|0.00010436|0.00003269|0.00002882|-0.00006137|0.00003278|-0.00003573|-0.00010898|-0.00001582|-0.00003965|0.00010849|0.00003097|0.00003528|0.00000946|-0.00009951|-0.00001524|0.00039276|0.00052863|0.00012039|0.00008539|-0.00008710|-0.00001389|0.00243310|-0.00300292|0.00027217|0.00414655|-0.00076339|-0.00013378|-0.31981380|-0.20195367|0.01479179|0.00000332|0.00000216|-0.00000484|-0.00000093|0.00000345|-0.00000088|0.00000640|0.00000175|0.00000738|0.00001100|-0.00000663|-0.00000177|-0.00001382|0.00001085|-0.00000540|-0.00003001|0.00000148|-0.00002541|-0.00004754|0.00005917|0.00004539|-0.00000844|0.00002648|0.00000022|-0.00002794|0.00000231|-0.00005454|0.00020614|0.00015765|-0.00005644|-0.00064889|-0.00038562|-0.00004867|0.31332289|-0.00000561|0.00000636|-0.00000085|-0.00002077|0.00000419|0.00001999|0.00001300|-0.00003474|-0.00002168|0.00000054|-0.00000720|-0.00000834|-0.00001915|0.00004012|-0.00003847|0.00002065|-0.00003304|0.00001926|0.00006814|0.00004956|0.00002002|-0.00081970|-0.00054801|0.00009768|-0.00001390|0.00005510|-0.00000524|-0.00300367|0.00453447|-0.00000499|-0.00105416|0.00466873|0.00029875|-0.20164756|-0.17258558|0.00963542|-0.00000006|-0.00000068|-0.00000111|-0.00000158|-0.00000788|-0.00000167|0.00000013|-0.00000136|0.00000187|0.00002412|-0.00001580|-0.00000504|0.00001938|-0.00000537|0.00002161|-0.00002776|0.00000849|-0.00001417|0.00002680|0.00001032|-0.00000996|-0.00001370|-0.00004401|0.00000894|0.00005329|0.00000997|0.00003701|-0.00011899|-0.00013359|-0.00001393|0.00105154|0.00052067|0.00003040|0.20546905|0.16350928|0.00000437|0.00000172|-0.00000420|-0.00002552|0.00001127|0.00010883|-0.00001697|-0.00002009|-0.00008902|0.00005267|0.00000763|0.00004363|0.00004082|-0.00004420|0.00001035|-0.00000615|0.00001868|-0.00010196|0.00001151|0.00001915|-0.00000455|-0.00078372|-0.00073912|0.00001194|-0.00018623|0.00009723|-0.00000323|0.00037273|0.00004801|0.00657034|-0.00000063|0.00041444|0.00486447|0.01458543|0.00951002|-0.03129557|0.00000370|-0.00000077|-0.00000073|-0.00000017|-0.00000374|0.00000458|-0.00000566|-0.00000058|-0.00000329|0.00000289|-0.00000747|-0.00000150|-0.00003424|0.00002790|-0.00001703|-0.00000891|-0.00001491|0.00002519|0.00002664|0.00000260|0.00005495|-0.00003722|-0.00000694|-0.00001881|0.00008036|0.00003722|0.00008841|0.00112409|0.00090283|-0.00022132|-0.00036444|-0.00019537|-0.00001824|-0.01483536|-0.01006552|0.01999676|
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|
35.6897 65.0025 108.5603 143.0100 152.6230 163.9441 254.5612 323.0085 373.3971 390.4589 417.1918 433.9404 459.0507 558.5243 653.6085 675.0147 702.4947 739.7116 794.1208 796.6557 811.5505 848.1181 877.2109 892.1151 952.1248 1018.9565 1035.7603 1047.1122 1057.1353 1087.6124 1088.6802 1127.1380 1164.5082 1186.5770 1204.0708 1238.7296 1246.9069 1280.8469 1334.6508 1373.0590 1386.9399 1464.6971 1473.6517 1505.3204 1553.0704 1569.7543 1590.5000 1597.5654 1617.7297 1623.9833 1629.7808 1879.8576 1884.4026 2411.4870 3203.1524 3212.0713 3258.6671 3268.7582 3312.6363 3330.7735 3336.6509 3360.5829 3374.5328 3431.4362 3664.1621 3850.7145
4.3133 3.6549 2.6433 1.2669 3.4690 3.2488 3.8095 4.2585 2.7898 2.6942 1.9496 2.2211 1.9712 4.0012 2.8806 3.9423 4.2899 2.7765 1.3736 1.6394 1.3230 2.9699 2.0070 2.3215 2.6658 3.0184 2.8833 1.8243 2.4085 1.5693 1.4707 2.5240 1.7069 2.0848 1.9853 1.3858 1.7153 1.6722 1.2596 1.7395 1.6967 1.4037 1.6663 1.6880 1.3347 2.0195 1.7512 1.4073 1.0998 1.0534 1.1725 5.7471 7.1397 5.7040 1.0661 1.0412 1.0970 1.1001 1.0868 1.1011 1.0663 1.0914 1.0950 1.1138 1.1700 1.0783
0.0032 0.0091 0.0184 0.0153 0.0476 0.0514 0.1454 0.2618 0.2292 0.2420 0.1999 0.2464 0.2447 0.7354 0.7251 1.0583 1.2473 0.8951 0.5104 0.6130 0.5134 1.2586 0.9099 1.0886 1.4239 1.8464 1.8225 1.1785 1.5858 1.0937 1.0270 1.8893 1.3638 1.7294 1.6958 1.2529 1.5713 1.6163 1.3220 1.9322 1.9230 1.7743 2.1320 2.2536 1.8968 2.9319 2.6100 2.1162 1.6958 1.6368 1.8349 11.9660 14.9375 19.5434 6.4446 6.3294 6.8634 6.9256 7.0264 7.1974 6.9943 7.2621 7.3469 7.7267 9.2549 9.4203
0.3921 0.2733 1.2690 0.3240 0.4786 0.8647 4.4636 1.8588 9.7199 6.8703 46.5195 79.4421 122.6246 3.9585 3.4570 5.8365 10.7292 31.1177 46.9541 5.4427 47.5608 15.2428 4.9767 8.0451 10.9364 21.6520 0.5322 4.4319 1.0585 16.2242 27.6253 17.2092 4.1874 15.9020 11.4332 5.8380 9.8345 1.4442 5.4653 16.2092 13.7353 13.0406 3.9237 23.3256 12.7737 6.7188 110.5743 0.8135 3.1468 7.7399 17.3073 52.8300 110.2044 0.6794 23.5767 19.4659 16.0003 21.7531 8.3992 8.1633 14.9257 20.5360 40.2688 7.8695 58.6348 21.2877
1.9322 1.8957 2.4037 0.6708 6.4898 1.8113 1.5291 3.0487 1.7800 12.1086 2.6595 4.1858 4.2614 2.5612 1.4825 9.3414 5.0202 4.9179 3.7666 2.7424 4.0803 1.3920 8.9065 5.3761 15.3795 4.1786 6.3698 4.1553 4.6047 5.0770 2.0618 5.3322 1.2570 7.9576 3.5772 1.5809 1.1543 8.5032 4.8581 5.4577 9.3765 6.7940 2.8112 1.6373 2.9263 7.3473 6.3829 20.8289 8.4269 18.2013 15.7959 32.9015 9.4018 120.5725 79.4555 118.6188 56.3076 79.4171 65.5928 61.9175 95.8991 91.6652 159.1769 52.2573 34.1230 64.7509
0.7427 0.7452 0.6618 0.6154 0.7284 0.7485 0.4567 0.7241 0.7499 0.7459 0.7497 0.7491 0.6687 0.6014 0.5725 0.1857 0.2257 0.2181 0.7435 0.7211 0.6746 0.7407 0.7239 0.7253 0.1533 0.6948 0.3830 0.6657 0.1623 0.7033 0.7356 0.2937 0.7094 0.7374 0.6898 0.3481 0.5107 0.5377 0.3061 0.7339 0.7483 0.4453 0.6392 0.4049 0.7104 0.3215 0.7310 0.2617 0.5853 0.7486 0.7395 0.1032 0.7487 0.2874 0.0920 0.0290 0.5230 0.6396 0.4164 0.6723 0.1517 0.6042 0.1370 0.7146 0.2404 0.2987
0.8524 0.8540 0.7965 0.7619 0.8428 0.8562 0.6270 0.8400 0.8571 0.8545 0.8569 0.8565 0.8015 0.7511 0.7282 0.3132 0.3683 0.3581 0.8529 0.8380 0.8057 0.8510 0.8399 0.8408 0.2658 0.8199 0.5539 0.7993 0.2792 0.8258 0.8476 0.4540 0.8300 0.8489 0.8164 0.5164 0.6761 0.6994 0.4687 0.8465 0.8560 0.6162 0.7799 0.5764 0.8307 0.4866 0.8446 0.4148 0.7384 0.8563 0.8502 0.1871 0.8563 0.4464 0.1685 0.0564 0.6868 0.7802 0.5880 0.8040 0.2635 0.7533 0.2409 0.8336 0.3877 0.4600
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 7 6 6 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 14.00307 12.00000 12.00000 14.00307 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
911.54601 3040.61032 3217.48357
0.99983 -0.01559 -0.00972 0.01600 0.99894 0.04320 0.00904 -0.04335 0.99902
1
0.09502 0.02849 0.02692
1.97987 0.59355 0.56092
51.35 93.52 156.19 205.76 219.59 235.88 366.26 464.74 537.24 561.78 600.25 624.34 660.47 803.59 940.40 971.20 1010.73 1064.28 1142.56 1146.21 1167.64 1220.25 1262.11 1283.55 1369.90 1466.05 1490.23 1506.56 1520.98 1564.83 1566.37 1621.70 1675.47 1707.22 1732.39 1782.26 1794.02 1842.85 1920.26 1975.53 1995.50 2107.37 2120.26 2165.82 2234.52 2258.53 2288.37 2298.54 2327.55 2336.55 2344.89 2704.70 2711.24 3469.59 4608.62 4621.45 4688.50 4703.01 4766.14 4792.24 4800.70 4835.13 4855.20 4937.07 5271.91 5540.32
0.213934
0.224893
0.225837
0.176355
-494.218740
-494.207782
-494.206838
-494.256319
1.659601D-04
MUNgauss
RevisionA2.1
retrievium
04-Jan-2023
GDB_13 Smiles: CC1=NC2C(N1)C2C(=C)CC#C
RHF
6-31G(d)
(6D,10F)
C1
160.100048
|X|Y|Z|
39.008093 19.458138 16.502971
23.224126
6
|36.858105|
|12.743101|36.858105|
|7.793179|15.087714|53.358707|
|5.246153|8.770528|18.022147|36.858105|
|5.162387|8.386709|10.915144|12.657646|36.858105|
|7.650282|13.753301|11.560966|8.326737|13.281053|53.358707|
|4.484481|6.643708|10.188831|12.651166|12.618372|10.260957|36.858105|
|4.471359|5.900695|8.275013|7.097573|7.195742|8.428973|12.734404|36.858105|
|4.585211|5.569006|8.162597|5.958105|5.286108|6.896579|7.666006|14.430828|36.858105|
|3.701842|4.471997|5.807965|4.842409|5.643509|6.968562|7.478825|12.527877|7.698395|36.858105|
|2.948710|3.526512|4.775447|4.169833|4.760765|5.486303|6.218554|7.613532|5.431777|12.917038|36.858105|
|2.519036|2.966516|4.082222|3.575261|3.980460|4.558987|4.937355|5.366153|4.214372|7.156327|16.046360|36.858105|
|17.636743|9.001324|10.066893|4.802003|4.345964|7.690051|3.997536|3.995307|4.321082|3.267203|2.670863|2.316453|0.500000|
|17.537606|8.939757|8.340964|4.571822|4.680245|9.110983|4.295768|4.658411|4.892695|3.997823|3.082967|2.597036|0.300430|0.500000|
|17.561644|8.930732|8.153780|4.491520|4.679340|9.458885|3.867690|3.744023|3.703589|3.264669|2.677893|2.325422|0.298995|0.301260|0.500000|
|4.247861|6.185924|12.120201|17.737484|8.356595|8.041403|8.557428|5.411589|4.788284|3.996527|3.683624|3.307995|0.113140|0.103168|0.105158|0.500000|
|4.193100|5.978901|7.835071|8.287613|17.730647|12.100121|8.427811|5.460449|4.166115|4.832814|4.454783|3.914817|0.100249|0.106618|0.111670|0.194871|0.500000|
|7.013813|9.220393|8.368384|5.997338|8.972525|26.020111|6.246795|5.869540|4.798195|5.428322|4.137913|3.393423|0.141544|0.193335|0.185449|0.127447|0.198834|0.500000|
|3.591496|4.902359|7.535676|8.821240|8.840255|7.558661|17.664016|8.838486|6.003372|6.622804|6.707892|5.725880|0.091262|0.096022|0.089053|0.217482|0.214126|0.134774|0.500000|
|4.061962|4.513628|6.285347|4.471305|4.188577|5.691658|5.491709|9.098385|17.696401|7.074691|5.085064|4.002706|0.107563|0.125876|0.093082|0.104694|0.096269|0.115400|0.129392|0.500000|
|4.834426|5.892717|9.672292|6.471552|5.061807|6.637230|6.971250|9.107105|17.751246|5.494805|4.314226|3.557144|0.133865|0.136330|0.106202|0.147623|0.110758|0.122354|0.153788|0.288644|0.500000|
|3.920712|4.708432|5.736677|4.710042|6.102810|7.997093|6.789437|8.871999|5.987024|17.521961|9.136464|6.006688|0.092919|0.118436|0.098399|0.106906|0.148518|0.188532|0.163001|0.153281|0.129140|0.500000|
|3.491620|3.958492|5.112824|3.999705|4.408292|5.832298|5.496234|8.871917|7.402090|17.573529|9.105840|5.991510|0.086978|0.108325|0.085382|0.093967|0.106580|0.128348|0.137265|0.226806|0.145152|0.303244|0.500000|
|2.224624|2.583892|3.582143|3.112225|3.398010|3.924653|4.046445|4.195295|3.476008|5.122669|8.489403|18.026250|0.057421|0.063205|0.057671|0.082380|0.095233|0.080611|0.131791|0.092569|0.084499|0.126423|0.126217|0.500000|
493.995199
-2488.317352
901.725283
-69.493125
-1162.089996
667.657323
-494.432673
2.000886
4037FFFFFFFFFFF7
41A3B19231FFFFFB
413D4FBBD3594D5E
408067FFFFFFFFFF
4014000000000001
40E9F70000000000