Version2.5
2022-11-17T10:26:21Z
10.1021/ja902302h
Gaussian16
RevisionB.01
SBUNGAY
12-Nov-2022
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
GDB_13 Smiles: CC1(NC(=NN)N2CCC12)C#C
RHF
6-31G(d)
(6D,7F)
CC1(NC(=NN)N2CCC12)C#C
C1[X(C8H12N4)]
66
C1
204
CC1(NC(=NN)N2CCC12)C#C
NN=C1NC(C2N1CC2)(C)C#C
CC1(NC(=NN)N2CCC12)C#C
InChIKey=WECBNAHJIGLJRJ-UHFFFAOYSA-N
InChI=1S/C8H12N4/c1-3-8(2)6-4-5-12(6)7(10-8)11-9/h1,6H,4-5,9H2,2H3,(H,10,11)
InChI=1/C8H12N4/c1-3-8(2)6-4-5-12(6)7(10-8)11-9/h1,6H,4-5,9H2,2H3,(H,10,11)/f/h10H
CC1(NC(=NN)N2CCC12)C#C
C01[X(C8H12N4)]
66
C1
204
CC1(NC(=NN)N2CCC12)C#C
NN[C@@H]1N[C@@]([C@H]2[N@@]1CC2)(C)CC
CC[C@]1(C)N[C@@H](NN)N2CC[C@@H]12
InChIKey=UPZIMPASWOLJHL-FXQIFTODSA-N
InChI=1S/C8H18N4/c1-3-8(2)6-4-5-12(6)7(10-8)11-9/h6-7,10-11H,3-5,9H2,1-2H3/t6-,7-,8-/m0/s1
InChI=1/C8H18N4/c1-3-8(2)6-4-5-12(6)7(10-8)11-9/h6-7,10-11H,3-5,9H2,1-2H3/t6-,7-,8-/m0/s1
5.270627071404D+02
-2.673613490708D+03
720.5546400555
-527.5766348
1-A
1918.0365
44
160
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|A|
-15.57275 -15.56049 -15.55583 -15.53079 -11.32063 -11.30725 -11.27122 -11.26039 -11.23516 -11.23066 -11.22997 -11.22571 -1.34490 -1.25323 -1.20967 -1.09781 -1.04006 -1.00252 -0.98908 -0.94164 -0.86533 -0.81019 -0.75789 -0.73931 -0.69856 -0.66980 -0.66564 -0.64578 -0.62533 -0.60533 -0.58654 -0.56762 -0.55569 -0.53779 -0.52003 -0.51362 -0.51217 -0.47680 -0.46634 -0.40238 -0.39224 -0.37632 -0.35946 -0.32599
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
0.20294 0.21123 0.22860 0.23782 0.25001 0.25246 0.26161 0.27131 0.28520 0.29895 0.30644 0.32115 0.32786 0.33147 0.34415 0.35661 0.38756 0.39588 0.40407 0.42751 0.44397 0.45561 0.49869 0.51731 0.54627 0.60168 0.62016 0.66476 0.67476 0.70289 0.70918 0.74105 0.76321 0.78947 0.79980 0.81477 0.83746 0.84867 0.86304 0.86733 0.87849 0.90096 0.92300 0.94061 0.94480 0.95308 0.95650 0.97564 0.99360 1.00072 1.01927 1.05092 1.06291 1.09263 1.10891 1.11731 1.12002 1.13113 1.13885 1.14894 1.15768 1.16247 1.17320 1.18854 1.20349 1.21706 1.22560 1.23905 1.24663 1.25527 1.26254 1.28167 1.29358 1.35125 1.38567 1.42490 1.46485 1.48575 1.53259 1.56256 1.57231 1.62516 1.65325 1.70487 1.73030 1.76766 1.79128 1.81765 1.83243 1.86725 1.87747 1.88629 1.92711 1.95926 1.97713 2.04828 2.07320 2.09809 2.11714 2.13646 2.16430 2.17610 2.19167 2.21862 2.23626 2.25192 2.29939 2.31283 2.32909 2.33612 2.36082 2.37426 2.39237 2.40293 2.44899 2.46184 2.50231 2.51463 2.53397 2.56202 2.57747 2.60876 2.62790 2.63552 2.67642 2.70418 2.75030 2.80211 2.81188 2.82298 2.85023 2.86696 2.90714 2.96093 2.98149 3.03894 3.06045 3.06827 3.07934 3.13284 3.16290 3.20794 3.24053 3.25735 3.31656 3.52248 3.59313 3.81579 4.22210 4.50356 4.51925 4.64286 4.64760 4.68501 4.78324 4.82515 4.86771 4.90353 5.20334 5.36409
14.39280
1.9676 1.0961 2.0092
3.0183
|XX|YY|ZZ|XY|XZ|YZ|
-68.8260 -63.4388 -71.9268 -0.2130 -5.7363 1.0983
|XX|YY|ZZ|XY|XZ|YZ|
-0.7621 4.6251 -3.8630 -0.2130 -5.7363 1.0983
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-15.4713 -2.3866 6.6292 -6.6163 -21.3403 5.8623 5.0912 -6.6612 -9.0179 8.7559
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-1199.2941 -863.4378 -385.7631 45.5334 -81.4594 11.8364 7.6855 -25.9217 5.6131 -282.8078 -245.1136 -192.9955 23.7482 -18.7891 -16.4808
0
|0.65189021|-0.00677172|0.65944822|0.05272494|0.00266583|0.57001749|-0.10626997|0.00118620|0.05021531|0.60467120|-0.00225322|-0.09633415|0.00850320|-0.02867215|0.53561524|0.03545817|0.00010008|-0.20259110|-0.02306501|-0.00252398|0.58242340|-0.02563621|-0.01839116|0.00130422|-0.20968224|-0.04831256|-0.00229691|0.62102377|-0.00213319|0.00211668|0.00153574|-0.05506386|-0.15403604|-0.02643578|0.05628174|0.88262585|0.03439409|0.02186530|0.00517557|0.01395444|-0.01991479|-0.07660003|-0.18361769|0.20856242|0.26679888|-0.00174648|-0.00079359|-0.00011105|-0.04806540|-0.00560066|0.02578348|-0.21472557|0.02465208|0.07160701|0.98072764|-0.00671255|-0.00807812|-0.00207795|0.00434143|0.02213474|0.01319583|0.03515292|-0.17979510|-0.06534431|0.23658559|0.72076657|0.00111215|-0.00140113|-0.00059100|0.01578809|0.02046347|-0.00434363|0.11739943|-0.07962799|-0.15267360|-0.23897994|0.10646088|0.41447252|-0.00229464|-0.00169022|-0.00162379|0.00790664|0.00758792|0.00511417|-0.05028573|-0.01033042|0.05417536|-0.55344394|-0.15531452|0.16432655|0.71401527|0.00154252|0.00150888|0.00041805|-0.00118501|-0.00300525|-0.00513092|0.00977133|0.02588556|-0.01044834|-0.21383991|-0.19722958|0.04633776|0.29419497|0.47943763|0.00067101|0.00082203|0.00063826|-0.00052145|-0.00966125|-0.00053857|0.05471621|0.00247598|-0.00172087|0.11649102|0.01496697|-0.13543773|-0.15535030|0.07150873|0.24443145|0.00046354|0.00038025|0.00013036|0.00144944|-0.00224238|-0.00193849|-0.00196939|0.00065772|-0.00502742|-0.01974877|-0.05435781|-0.02429815|-0.07469417|-0.02676979|-0.00526395|0.49766070|0.00002695|0.00013393|-0.00010038|0.00159778|-0.00098319|-0.00061730|0.00201787|0.00059033|0.00403033|-0.00761978|-0.03665763|-0.01449983|-0.03278986|-0.24109244|-0.06860059|0.13344012|0.50526601|0.00006726|0.00011913|-0.00002665|-0.00139396|0.00116234|0.00020507|0.00178559|0.00463959|-0.00136821|0.01180734|0.01535264|-0.00237424|-0.02115636|-0.08288100|-0.12831159|0.08645964|-0.14968076|0.64947199|-0.00061397|0.00396228|-0.00088320|-0.02073636|0.00508867|0.01753441|0.00924886|0.01387444|0.01063837|-0.14604855|-0.05016185|-0.02857532|-0.01878155|-0.04928582|-0.01553548|-0.00183070|-0.00397666|0.00427427|0.50470132|0.00135360|-0.00446755|-0.00029454|0.01707456|-0.00272213|-0.01870813|0.00460722|-0.04280472|-0.03297555|-0.02716012|-0.24747515|-0.09327170|-0.03679080|-0.02640786|0.00073420|-0.00379501|0.00524446|-0.00669010|0.05306310|0.67701450|0.00105563|-0.00393605|-0.00030610|0.01486905|-0.00598876|-0.01450855|0.00700872|-0.04107932|-0.00948960|0.00828971|-0.03572841|-0.09570217|-0.01515990|0.00918014|0.01211811|0.00432413|-0.00118135|0.00650151|-0.05493308|-0.00390849|0.29891180|0.00006105|-0.00001578|-0.00044769|-0.00510676|0.00103513|0.00024132|-0.00138715|-0.00286553|-0.00132849|0.02007360|-0.00238765|0.01012759|-0.00688967|-0.00298293|-0.00094483|-0.00095398|-0.00000266|-0.00097044|-0.11084191|0.03071183|-0.02301523|0.70113216|-0.00077213|0.00104232|-0.00023662|0.00204234|-0.00298405|0.00250995|-0.00233024|0.00043052|0.00339313|0.00982189|-0.04807731|0.00438747|0.00944104|0.00351023|0.00040133|-0.00072485|0.00173941|-0.00117299|0.04342699|-0.16844339|0.02040077|-0.00829201|0.57397809|0.00036094|-0.00101596|-0.00043872|-0.00005626|0.00030540|-0.00382063|-0.00071710|-0.00552345|-0.00387248|0.01425105|-0.01233158|-0.00318868|0.00019812|0.00076035|0.00063047|0.00010508|-0.00031689|-0.00023887|-0.06665959|0.06826457|-0.07744082|0.05133778|0.13613790|0.55443582|0.00086734|0.00041702|0.00069201|-0.00603815|0.00685351|-0.00211211|0.00043079|-0.00038755|-0.00012110|-0.00079581|0.00120971|0.00206707|-0.00082268|-0.00078938|-0.00030027|0.00008158|-0.00014375|-0.00017664|-0.01710991|-0.01146461|0.03024910|-0.15022322|-0.03659281|0.06485934|0.47643724|0.00008921|0.00133231|0.00063648|0.00644939|-0.01110747|0.01525103|0.00018763|0.00001778|-0.00054742|0.00192062|0.00029456|0.00622941|-0.00121004|-0.00070936|-0.00059742|-0.00013546|0.00004004|-0.00046378|-0.00977293|-0.05027658|0.06324450|-0.01319167|-0.07253892|-0.01907999|0.12023178|0.65039862|0.00018218|0.00090669|0.00180182|0.00475899|-0.00714000|0.01752761|-0.00091037|0.00007487|-0.00100545|-0.00034910|-0.00042997|-0.00650597|0.00079398|0.00054361|0.00035289|0.00048286|-0.00026779|0.00067950|0.02088218|0.05154943|-0.03275427|0.05163499|-0.00656921|-0.13626811|0.02389187|-0.00486041|0.66544064|-0.00448428|0.01375848|0.00831241|-0.09226188|0.03354098|0.00887164|0.00055902|-0.02946439|-0.00603440|-0.02903792|-0.03042533|0.00162953|0.00284735|0.00143999|-0.00115389|-0.00034718|0.00016563|0.00262553|-0.16652740|-0.02837375|0.02767491|-0.07660536|0.03614715|0.01212351|-0.08849451|0.02363147|-0.04068081|0.67013800|0.00133487|0.01004549|-0.00427039|0.01152204|-0.16397691|-0.02051158|-0.01042080|-0.04126253|-0.01335814|-0.03825170|-0.00918136|0.01881167|0.00019872|-0.00536741|-0.00405244|-0.00119507|-0.00042980|0.00006126|-0.02918052|-0.10651931|-0.00039644|0.04805988|-0.01115273|0.00340834|0.04454473|-0.14745050|0.02370515|0.03512838|0.60874054|0.00871997|-0.02873300|-0.01145955|0.00236043|-0.03726044|-0.10832933|-0.00275816|-0.01561395|-0.00511200|-0.01292474|0.00856507|0.00448165|-0.00170937|-0.00385459|-0.00246873|-0.00000781|-0.00236270|0.00179316|0.10304435|0.00174737|-0.11369111|0.00856343|0.00426265|0.00407092|-0.06122082|0.03703375|-0.12134690|0.10377164|0.05931565|0.54114049|0.01307370|-0.00352459|0.00121908|-0.15013226|0.05465353|-0.07204982|-0.04943213|0.00912147|-0.02200192|0.00076357|-0.00250279|-0.00760693|-0.00130070|-0.00032465|0.00233592|0.00014291|0.00013167|0.00002768|0.00084109|0.00011267|-0.00005758|0.00023278|-0.00008511|0.00002033|0.00003169|0.00070695|0.00037166|-0.00946752|0.01408727|-0.00508187|0.77497089|0.00181513|-0.00133319|0.00713156|0.05933410|-0.12297816|0.05530732|-0.01816363|0.01318095|-0.00848334|0.00152636|-0.00317090|-0.00561535|-0.00135063|0.00024733|0.00176579|0.00006012|0.00005694|-0.00000305|0.00081616|0.00152822|-0.00002726|0.00062613|-0.00105947|0.00080203|0.00116549|-0.00257066|-0.00428360|0.02438150|-0.02519619|0.02409536|-0.44248349|0.43435133|-0.02380760|0.02165719|-0.03389811|-0.07034959|0.05281275|-0.16032504|-0.01188311|-0.00235160|0.00309031|0.00065778|-0.00119380|-0.00002157|-0.00007007|0.00027842|-0.00016612|0.00001538|0.00008135|0.00005621|-0.00001583|0.00037846|-0.00086151|0.00025755|-0.00048595|0.00041070|0.00057892|-0.00112235|-0.00179151|0.00440426|0.00027185|0.01193576|0.60024921|-0.41475391|0.69210298|-0.00406862|0.00116275|0.00153738|0.00932098|0.00164458|0.00082754|-0.00158033|0.00083359|0.00010863|0.00210431|-0.00116636|-0.00200086|-0.00115561|-0.00002496|0.00073880|-0.00002750|-0.00014957|-0.00001029|-0.00046322|0.00064367|0.00049379|-0.00003730|-0.00012241|-0.00014234|0.00015332|0.00008618|0.00107535|0.00019326|-0.00217858|-0.00354228|-0.58643502|0.36960089|-0.50139160|0.79305730|0.00232694|-0.00081717|-0.00081116|-0.00338338|0.00635639|-0.00133630|0.00235041|0.00048012|0.00002119|-0.00119538|0.00006275|0.00164322|0.00100387|0.00022892|-0.00074976|-0.00010362|0.00021249|-0.00003538|0.00044993|0.00014368|-0.00002865|0.00004346|0.00002101|0.00007384|0.00005153|0.00026935|-0.00032833|-0.00074509|0.00088381|0.00072569|0.37044682|-0.30220344|0.34440351|-0.49637198|0.41395299|-0.00165142|0.00048221|0.00096298|0.00250315|0.00188141|0.00956600|-0.00290646|0.00051883|0.00081089|0.00172786|-0.00093274|-0.00304658|-0.00119338|-0.00011785|0.00110269|0.00001533|-0.00012144|0.00007777|-0.00008008|0.00036969|0.00111031|-0.00019827|0.00017230|-0.00011345|0.00016831|0.00027597|0.00112568|-0.00075397|-0.00231100|-0.00422957|-0.50250426|0.34414078|-0.51241500|0.67529386|-0.46431761|0.69911703|-0.07667683|0.06570102|0.02279818|-0.00453330|0.01549432|0.00487597|0.00126136|-0.00018793|-0.00152741|-0.00017608|0.00099292|0.00019222|0.00008995|-0.00023611|-0.00006001|0.00003684|-0.00003254|-0.00008933|-0.00057288|0.00015926|0.00050981|0.00005103|-0.00000651|0.00014784|-0.00004504|-0.00034346|-0.00002714|-0.00029066|-0.00111142|0.00207621|0.00006986|-0.00057559|-0.00135184|0.00011069|-0.00010391|0.00022477|0.07575284|0.06635089|-0.30341521|-0.08664583|-0.00179494|0.00385402|0.00327719|0.00063972|0.00131296|-0.00016301|0.00007684|-0.00017411|-0.00016744|0.00019666|0.00009061|-0.00004809|-0.00001802|0.00006223|0.00004546|-0.00008405|0.00055431|0.00005929|-0.00011886|-0.00008558|0.00005035|0.00002031|0.00023142|-0.00002976|-0.00048991|0.00031959|0.00126336|0.00018977|0.00098180|0.00028074|-0.00053672|0.00031330|-0.00007699|-0.07269290|0.32548996|0.02198603|-0.08250579|-0.08808968|0.00864961|-0.03599147|-0.01320695|-0.00233558|0.00111941|0.00215565|-0.00013700|-0.00142149|-0.00039718|0.00004359|0.00033149|0.00008387|0.00001745|0.00008422|0.00003102|0.00117283|-0.00131366|-0.00091349|0.00019465|0.00058542|-0.00011907|-0.00056335|0.00028403|0.00006048|0.00210903|0.00470781|-0.00494935|0.00078035|-0.00120042|0.00143212|-0.00049765|0.00055873|0.00007882|-0.02738215|0.09269152|0.09417225|-0.25708269|-0.13400217|-0.00700486|-0.01129574|-0.00674184|-0.00430841|-0.00238180|0.00000426|0.00492786|0.00122547|-0.00219867|-0.00088356|-0.00087415|0.00044365|0.00033892|0.00009259|-0.00004972|0.00007544|0.00016549|0.00058112|0.00007683|0.00006103|-0.00009090|0.00009865|-0.00016452|0.00028474|-0.00031242|0.00014706|-0.00062493|-0.00038777|0.00013228|0.00099086|-0.00055197|0.00062194|-0.00018023|0.00021021|0.01050848|0.00551076|-0.00057395|0.27660030|-0.13371690|-0.15008116|-0.00393955|0.00030646|-0.00115158|-0.00109712|-0.00037408|0.00168434|0.00040980|0.00054012|-0.00022073|-0.00021922|-0.00029320|0.00007675|0.00012542|0.00003245|-0.00004264|0.00003634|-0.00023612|0.00011046|0.00021523|0.00002385|-0.00002732|0.00001414|-0.00008737|-0.00008338|0.00024318|0.00041078|0.00023908|0.00014042|-0.00039841|0.00018253|0.00011285|0.00057878|-0.00003162|-0.00001050|-0.02972465|-0.01792431|-0.00037056|0.14886255|0.15580011|-0.01097559|-0.00611403|-0.06244061|0.02739309|0.02041125|0.00605219|0.00543617|-0.00086128|-0.00684554|0.00015876|0.00303050|0.00065123|0.00096770|-0.00060135|-0.00049555|-0.00014047|0.00000088|-0.00000102|-0.00037230|-0.00021487|0.00001941|-0.00007450|0.00009581|0.00000153|-0.00001056|-0.00026911|-0.00017259|-0.00032786|0.00013287|0.00162869|0.00013335|0.00007636|0.00079654|-0.00032267|-0.00003207|-0.00010707|-0.01107064|-0.00592754|-0.00041275|0.00732892|0.00624928|0.06137244|-0.18720239|0.07828293|-0.12624779|0.00973079|-0.00792710|0.01202911|0.00187216|-0.00004246|-0.00075421|-0.00004960|0.00039641|0.00031711|0.00022717|-0.00006881|-0.00012292|-0.00001638|0.00000896|-0.00001348|0.00016271|-0.00028199|-0.00006349|0.00014952|0.00024638|0.00008828|-0.00093790|0.00037208|0.00031287|0.00021780|0.00035079|-0.00090177|-0.00101695|0.00027705|0.00244552|0.00099723|-0.00041678|0.00031895|-0.00526541|0.00255685|-0.00460297|-0.01747411|0.01386421|-0.01852246|0.19893988|0.07761224|-0.10783575|0.07631218|0.00110081|-0.00123477|0.00090036|0.00003551|-0.00022950|-0.00110795|-0.00030176|0.00056231|0.00045189|0.00008031|-0.00010109|-0.00007284|0.00000771|0.00000696|-0.00007540|-0.00014724|-0.00025338|0.00010621|0.00000341|0.00010979|-0.00013433|0.00050753|-0.00054399|-0.00039261|-0.00023947|-0.00009391|-0.00046941|0.00000852|0.00074974|0.00105985|-0.00004237|0.00025488|0.00000802|0.02247098|-0.01182331|0.02326882|-0.01340911|0.01106649|-0.01572123|-0.08880052|0.11061647|-0.12053421|0.07497186|-0.17919386|-0.02539818|0.01374029|-0.02214258|-0.00047537|-0.00117603|0.00407090|0.00031187|0.00015069|-0.00012328|-0.00019623|-0.00002347|0.00002683|0.00005277|-0.00005909|0.00000902|-0.00001790|-0.00033731|0.00038547|0.00019970|0.00045800|0.00015956|-0.00032879|-0.00060616|-0.00054135|-0.00124649|0.00132248|0.00043790|0.00373842|0.00042457|-0.00712391|-0.00117090|0.00067838|-0.00032961|0.00929582|-0.00395640|0.00992062|0.00037195|-0.00144123|0.00054426|0.13445030|-0.08349104|0.19241237|0.00062125|-0.00033170|-0.00080161|0.00692120|-0.03177042|-0.00700993|-0.07756704|-0.00765184|0.02773264|0.01699871|0.02798298|-0.01079456|-0.00448972|-0.00185310|0.00301050|-0.00035429|0.00106637|-0.00141433|-0.00149445|0.00383234|0.00677235|0.00018042|-0.00069618|0.00065993|-0.00010149|-0.00020947|-0.00025011|-0.00725853|-0.00369750|-0.00004274|0.00177537|-0.00082361|0.00042975|-0.00025661|0.00093028|-0.00027830|-0.00032033|0.00037853|0.00072194|-0.00023617|0.00037044|0.00025495|-0.00001219|0.00019606|0.00001722|0.06399542|-0.00056510|-0.00012787|0.00049324|0.00414682|-0.00363084|0.00167558|-0.01653079|-0.50374619|-0.08459689|0.00344266|-0.00963738|-0.00123640|-0.00275834|-0.00164591|0.00038899|-0.00166174|-0.00135150|0.00202754|-0.00052700|0.00066134|0.00002848|0.00003666|-0.00007524|-0.00023998|-0.00006630|0.00002457|-0.00004642|-0.00019584|0.00016241|-0.00069205|0.00019407|0.00140976|-0.00042521|0.00029035|-0.00039745|0.00027822|-0.00021696|0.00000916|0.00020391|0.00010986|0.00014665|0.00003979|-0.00007302|-0.00017104|0.00008379|0.01467402|0.51790842|0.00005972|0.00103422|0.00054136|-0.00428059|0.00182241|-0.00490984|0.01973455|-0.04632670|-0.02503272|-0.00082840|-0.03182372|-0.00867057|-0.00409680|0.00129122|-0.00016442|0.00014558|0.00086455|-0.00226089|0.00420995|-0.00401673|0.00104864|-0.00047044|-0.00155769|-0.00157470|0.00021663|-0.00040984|0.00001388|0.00177825|-0.00103082|-0.00012160|0.00088006|-0.00102475|0.00025244|0.00043572|0.00029067|-0.00002578|0.00073638|-0.00034510|-0.00023885|0.00002191|-0.00055735|-0.00038007|0.00005735|0.00041535|-0.00024925|-0.01745821|0.08183072|0.04035589|-0.00009550|-0.00003627|-0.00005279|0.00062989|-0.00021658|0.00019724|-0.00135387|-0.00062628|-0.00096252|-0.00098097|-0.00278987|0.00088060|-0.00466879|-0.00528847|0.00077057|-0.14561981|-0.13905454|0.15729509|-0.00093560|0.00042757|0.00045138|0.00020911|0.00010487|-0.00006668|-0.00000817|0.00003862|-0.00002657|-0.00016705|-0.00022029|-0.00016853|0.00002449|-0.00003539|0.00006656|-0.00008173|0.00016192|-0.00015078|0.00000060|0.00001645|0.00002708|-0.00002845|-0.00000984|0.00003807|0.00000487|0.00001431|-0.00002616|0.00099554|-0.00099301|0.00042345|0.13705389|0.00000573|0.00002722|0.00001851|-0.00026774|-0.00002124|0.00012454|0.00201103|0.00037151|0.00138242|0.00216279|-0.00919205|-0.00404819|-0.02727218|-0.03039411|0.02675491|-0.09518811|-0.15337516|0.13472913|-0.00201611|0.00014045|-0.00078515|-0.00017255|0.00053377|0.00002206|-0.00000264|0.00000638|-0.00006895|-0.00009411|-0.00020004|-0.00070830|0.00002983|0.00004341|-0.00002274|0.00004698|-0.00005158|0.00004154|-0.00000991|-0.00000555|0.00000115|0.00001496|0.00000017|-0.00001582|-0.00000211|-0.00001434|0.00000647|-0.00082203|0.00051978|-0.00039905|0.12574448|0.19542006|-0.00002020|0.00002228|-0.00001938|-0.00005299|0.00001274|0.00006757|0.00004924|0.00042035|0.00112707|0.00040304|-0.00479454|-0.00144719|-0.01428771|-0.02481994|0.01866371|0.12469732|0.17553395|-0.28595994|-0.00144189|-0.00019104|-0.00063559|-0.00009767|0.00037757|-0.00000277|-0.00001842|-0.00000337|-0.00005637|-0.00000252|-0.00010194|-0.00037533|-0.00000014|-0.00000461|0.00000498|-0.00000816|0.00002129|-0.00004012|-0.00000770|0.00000429|0.00000948|0.00000113|-0.00000463|0.00000601|-0.00000054|-0.00001073|-0.00000321|-0.00033170|0.00023822|-0.00018187|-0.13012571|-0.16538017|0.29447808|-0.00003562|0.00001847|-0.00009179|-0.00017875|0.00002389|-0.00009997|-0.00054550|-0.00034345|0.00185493|0.00251701|-0.00107521|-0.00445173|-0.00755057|-0.00260300|0.00037042|-0.25479853|0.04598010|-0.23940537|-0.00048711|-0.00132549|0.00062976|-0.00039219|0.00013799|-0.00009448|-0.00008597|-0.00017522|-0.00000578|0.00033131|-0.00020004|-0.00013506|0.00003830|0.00002594|0.00002486|-0.00000676|-0.00003326|0.00004795|-0.00004612|0.00002916|0.00001550|0.00001896|0.00000982|0.00004616|-0.00000693|-0.00006571|0.00003389|-0.00016205|0.00066470|-0.00152743|0.01511002|-0.00400544|0.02140298|0.24630095|-0.00002151|0.00006365|-0.00001670|-0.00008719|0.00006333|0.00004531|-0.00054836|0.00148754|0.00026531|0.00362142|-0.00019723|-0.00827515|-0.04006817|-0.00398682|-0.03612803|0.05252589|-0.07913699|0.08312221|-0.00064999|-0.00369739|0.00148825|-0.00082628|0.00009044|-0.00012587|-0.00004943|-0.00018858|0.00023417|0.00054630|-0.00025552|0.00026764|0.00004446|-0.00002122|0.00000931|-0.00001320|0.00003236|-0.00002860|0.00000370|-0.00000545|0.00002015|0.00001117|-0.00000291|-0.00000232|-0.00000657|-0.00000351|0.00000587|-0.00059628|-0.00011481|0.00036234|0.02291866|-0.00377815|0.01874669|-0.03698189|0.09001963|0.00006165|0.00001998|0.00004873|0.00000057|0.00019852|-0.00018899|-0.00129259|0.00084835|-0.00164643|0.00270186|-0.00007268|-0.00151566|-0.01347207|-0.00456028|-0.00968314|-0.18021257|0.05684053|-0.23819026|-0.00023119|-0.00039286|0.00069435|-0.00000493|-0.00015052|0.00000985|0.00001072|-0.00001734|0.00011860|0.00012578|-0.00008124|0.00026846|-0.00009433|-0.00007035|-0.00001779|-0.00001170|0.00003208|-0.00004355|0.00001999|-0.00001565|0.00000014|-0.00000094|-0.00000251|-0.00003571|0.00000221|0.00003627|-0.00001466|-0.00027417|-0.00040629|0.00104719|-0.02857283|0.00808359|-0.02578458|0.22120979|-0.06024749|0.27496597|0.00008784|0.00000518|0.00006271|-0.00039401|0.00033530|0.00000090|0.00021955|0.00095766|0.00014103|-0.00332922|-0.00054756|0.00103707|0.00092297|-0.00009176|0.00012313|0.00005057|0.00000529|0.00002193|0.00183062|0.01404852|0.00539179|-0.06768862|0.00462037|0.00686071|0.00252408|0.01758574|0.01821175|-0.00007207|-0.00068753|-0.00017713|0.00002457|0.00012937|0.00007889|-0.00006567|0.00002432|-0.00009235|-0.00002734|0.00004725|-0.00004804|0.00000585|-0.00000889|-0.00000715|-0.00006581|-0.00002374|-0.00012957|-0.00016222|0.00001784|0.00017082|0.00000193|-0.00000059|-0.00000230|0.00001785|0.00009596|-0.00000630|0.06314038|0.00013087|-0.00009457|0.00012225|-0.00015846|-0.00023187|-0.00053807|-0.00013393|-0.00186389|-0.00092591|0.00664374|-0.00004623|-0.00021882|-0.00055907|-0.00025190|0.00043875|-0.00018703|-0.00010830|-0.00017331|0.00150519|-0.02922136|-0.01240257|0.00555778|-0.20181947|-0.14705504|0.00053836|0.00896868|0.00742697|-0.00111113|-0.00146440|0.00053651|0.00001344|0.00015093|-0.00002963|0.00010215|-0.00004465|0.00009436|-0.00002283|0.00002943|-0.00011203|0.00004966|0.00001698|-0.00003208|-0.00003978|-0.00001131|-0.00007572|0.00027970|-0.00000703|-0.00046506|-0.00001960|-0.00004186|-0.00004770|-0.00004538|-0.00009333|-0.00001646|-0.01199815|0.22631743|-0.00016911|0.00003717|-0.00011179|0.00026766|-0.00004221|0.00017890|0.00019056|0.00113022|0.00081292|-0.00278938|0.00231660|0.00057985|0.00011427|-0.00002886|-0.00006042|0.00005302|-0.00003835|0.00009269|0.00076655|0.01679514|0.01648679|0.00825962|-0.15359001|-0.21090378|-0.00268703|-0.01578742|-0.01648025|-0.00014473|0.00068678|-0.00079475|-0.00000013|-0.00018222|-0.00005703|0.00006935|-0.00004179|0.00006923|0.00005477|-0.00007429|0.00007306|-0.00001068|0.00001143|0.00001745|0.00005843|0.00002757|0.00017557|-0.00013295|0.00010416|0.00030847|0.00000624|-0.00000887|-0.00000209|0.00003553|0.00006296|-0.00000797|-0.00880227|0.15775532|0.21756109|0.00002809|0.00015664|-0.00009886|-0.00082491|-0.00064399|-0.00059618|0.00051528|0.00056082|0.00003445|-0.00234565|-0.00330663|0.00018784|0.00222702|-0.00022205|0.00044015|0.00020601|0.00000194|-0.00011772|-0.01076817|0.00295573|-0.00401817|-0.30430174|-0.04732157|-0.10490301|-0.01381629|-0.00332938|-0.00879899|-0.00226631|0.00195564|0.00128622|0.00012323|0.00027693|0.00013000|-0.00009535|0.00007862|-0.00007915|-0.00003363|0.00003391|0.00008036|0.00005314|-0.00001902|-0.00001450|-0.00002352|-0.00005527|0.00001057|-0.00004339|-0.00000441|0.00002188|-0.00001064|0.00005317|0.00002150|0.00003112|0.00012165|-0.00002089|0.00527575|-0.00058354|0.00086487|0.32634061|0.00001594|-0.00032338|0.00002329|0.00076911|0.00050546|-0.00062395|-0.00024479|0.00014924|-0.00021159|0.00446448|0.00451278|0.00243215|-0.00120807|0.00017249|-0.00047276|-0.00040663|0.00016321|-0.00009976|0.03241620|0.00131991|0.01186224|-0.05750233|-0.07549162|-0.02411535|-0.00356599|-0.00129890|-0.00534787|0.00068801|-0.00368005|0.00241244|-0.00014950|0.00007039|0.00001467|0.00001943|-0.00001764|-0.00001029|0.00003350|0.00002096|-0.00012018|-0.00000630|0.00000521|0.00000900|-0.00001171|0.00000724|-0.00005813|0.00014208|-0.00003085|0.00014997|0.00001997|0.00001095|0.00002791|0.00002919|-0.00017196|-0.00001637|-0.02488273|-0.00159378|-0.00987739|0.04874094|0.07410786|-0.00003787|0.00024064|0.00009116|0.00035149|-0.00061882|0.00077754|0.00016898|0.00062958|-0.00001010|-0.00241096|-0.00394576|0.00168771|0.00133540|-0.00031673|0.00004276|0.00033344|-0.00008464|-0.00023108|-0.01331079|-0.00033082|-0.00491455|-0.10180803|-0.02016983|-0.10916777|0.02180220|0.00502378|0.01490758|0.00288299|0.00109168|-0.00337309|0.00002081|-0.00028814|-0.00011685|0.00003570|-0.00001965|0.00007662|-0.00002137|-0.00002361|0.00004689|-0.00003905|0.00000772|-0.00000147|0.00001660|0.00003183|0.00000779|-0.00020107|0.00001809|-0.00004125|-0.00002759|0.00006909|0.00001447|-0.00007108|0.00003134|0.00006018|-0.02439587|-0.00512127|-0.00776070|0.11444326|0.02388592|0.10689554|0.00006078|-0.00013100|-0.00024854|-0.00058645|0.00090049|-0.00263506|0.00024212|0.00002113|-0.00014304|0.00019020|0.00107854|0.00070274|-0.00002544|-0.00029590|-0.00001251|0.00007080|-0.00011571|-0.00004966|0.00206790|-0.00238578|0.00081399|-0.00804617|-0.02222818|-0.00921200|-0.12252921|-0.11593400|0.00448225|0.01124832|0.01842353|0.00609895|0.00001021|0.00056249|0.00035406|-0.00019275|0.00006143|-0.00021034|-0.00000017|-0.00002443|0.00005436|-0.00005097|0.00003070|0.00007354|0.00005921|-0.00005892|0.00011022|0.00010769|0.00000173|0.00007501|-0.00000043|-0.00001249|-0.00001675|-0.00001732|0.00001286|0.00001787|0.00212636|0.00122180|-0.00071205|-0.00200874|-0.00077881|0.00304607|0.11911205|-0.00029835|-0.00012519|0.00020408|-0.00000551|-0.00013951|0.00229616|0.00011287|-0.00024021|0.00007788|0.00085807|0.00131729|0.00033519|-0.00059370|-0.00026420|0.00006098|-0.00007667|-0.00007244|-0.00012411|-0.00153885|-0.00166006|0.00480769|0.00311519|0.00319829|0.00109339|-0.11490029|-0.29679645|0.00717798|-0.01236586|-0.01439439|-0.00629815|0.00005355|-0.00056863|-0.00033597|0.00030232|-0.00011732|0.00024447|0.00016086|0.00003174|-0.00010515|0.00029114|-0.00001380|-0.00003769|-0.00008449|-0.00004665|0.00006642|-0.00002255|0.00004236|-0.00002097|-0.00001275|0.00000158|-0.00000811|-0.00002371|-0.00004821|-0.00001112|-0.00074081|0.00068563|0.00095081|0.00082311|0.00013759|-0.00018422|0.12874299|0.31479026|-0.00008711|0.00009349|-0.00024958|0.00007260|0.00010146|-0.00162684|-0.00002488|-0.00009042|0.00078160|-0.00039902|-0.00128955|-0.00231439|0.00049189|0.00049678|0.00017180|0.00006272|0.00007415|0.00021403|0.00162607|0.00693593|-0.00673964|0.00449017|0.01855289|0.00368699|0.00360691|0.00517111|-0.06091552|0.00956397|0.01228230|0.00077865|-0.00004615|0.00015030|0.00011287|-0.00008366|0.00002749|-0.00005044|0.00006987|-0.00002100|0.00006661|0.00012426|-0.00008331|0.00011261|-0.00011179|-0.00001876|0.00027876|0.00003066|0.00004314|0.00001108|-0.00000356|0.00001304|0.00002133|0.00009474|0.00008890|-0.00001601|-0.00062055|-0.00073436|0.00136529|0.00102126|0.00077075|-0.00146062|-0.00418381|-0.00995409|0.05982107|-0.00047807|0.00044310|-0.00039905|0.00133439|-0.00104570|0.00064684|-0.00010093|-0.00010025|0.00037285|0.00099896|-0.00049151|0.00017001|-0.00022501|0.00015943|0.00006135|-0.00000859|0.00004281|-0.00004694|0.00006750|-0.00114111|-0.00107447|0.01054324|0.01437879|0.03035655|-0.07504203|-0.02386152|-0.06767604|-0.00831846|-0.01150174|-0.02010860|-0.00008635|-0.00034914|0.00013149|0.00011819|0.00002510|0.00018031|0.00023445|-0.00023475|0.00028384|-0.00002537|-0.00002422|0.00001656|-0.00041562|0.00111601|0.00096978|0.00007975|0.00004924|-0.00006381|0.00000877|0.00000532|0.00000060|-0.00002020|-0.00004674|0.00000918|-0.00399295|-0.00164739|0.00452283|0.00205570|0.00067460|-0.00199614|-0.00279612|-0.00423337|-0.01553022|0.07708767|0.00038323|-0.00077485|-0.00030562|0.00052472|0.00083890|-0.00101306|0.00021382|-0.00031624|-0.00059571|-0.00070841|0.00042821|0.00157648|0.00005091|-0.00024926|-0.00015317|-0.00003291|0.00000308|-0.00008001|-0.00132689|-0.00182904|-0.00223083|0.00008428|-0.00152963|-0.00066595|-0.02406500|-0.08982056|-0.08074626|0.00555042|0.01391259|0.02351817|-0.00010797|0.00053584|-0.00002566|-0.00013010|-0.00000207|-0.00016121|-0.00017361|0.00006345|-0.00004690|-0.00013058|0.00005107|-0.00003416|0.00148386|-0.00100735|-0.00069239|0.00001954|-0.00004096|-0.00003329|0.00000228|-0.00000465|-0.00000684|-0.00003603|-0.00003181|0.00000466|0.00086670|0.00061728|0.00012582|-0.00025692|0.00119803|0.00056901|-0.00759003|-0.00742307|-0.03216465|0.02384011|0.08842765|-0.00016817|-0.00020001|-0.00085495|-0.00030955|-0.00084320|-0.00040337|0.00003827|-0.00018661|0.00134382|-0.00026459|-0.00120088|-0.00254150|0.00037125|0.00041059|0.00025595|0.00003161|0.00004475|0.00016280|0.00119660|0.00353953|0.00133453|-0.00622542|-0.00841506|-0.01572615|-0.06765257|-0.07977610|-0.31087864|-0.00362315|-0.00569771|-0.01076302|0.00004182|0.00009118|0.00022558|-0.00001700|0.00005306|0.00005671|0.00013338|-0.00019441|0.00048681|0.00011656|0.00000982|0.00002779|0.00135236|-0.00117474|0.00083034|0.00008951|0.00008587|0.00004195|-0.00000157|0.00000958|0.00001331|0.00008184|0.00008702|-0.00003022|0.00242370|0.00176636|-0.00172737|0.00019256|-0.00020847|0.00203479|0.00036219|-0.00017390|0.00480531|0.07167964|0.08995505|0.33253193|0.00012267|-0.00020213|-0.00041366|0.01070392|0.00641028|0.00735006|0.00005076|0.00290004|0.00086881|-0.00490051|0.00540346|0.00132004|-0.00088983|-0.00165173|-0.00071643|0.00008542|-0.00054529|0.00038234|-0.02190847|-0.01671723|-0.01035188|-0.00017589|-0.00119261|0.00040098|-0.00431733|-0.00345446|-0.00802681|-0.20004307|-0.07640909|-0.12680987|0.00113085|0.00109594|0.00056790|0.00010666|0.00012229|0.00031280|-0.00015085|-0.00005295|-0.00000411|-0.00003630|-0.00010112|-0.00003080|0.00003612|0.00001956|0.00008639|0.00086161|-0.00001546|-0.00011956|-0.00005632|-0.00020871|-0.00015132|-0.00004471|0.00000244|0.00003647|-0.00043234|0.00048265|0.00019027|-0.00032542|0.00074412|-0.00012382|0.00095593|0.00046699|-0.00017438|-0.00103174|0.00154118|0.00013874|0.22026707|0.00029588|-0.00182299|0.00048992|-0.02108045|-0.01001637|-0.01777020|0.00088785|-0.00552352|-0.00173057|-0.00099698|-0.00136146|-0.00084517|-0.00046258|-0.00035994|0.00013680|-0.00022796|-0.00020943|0.00019924|-0.00552476|-0.00076943|-0.00365012|-0.00090961|-0.00141948|-0.00028227|0.01662450|0.01176757|0.01843224|-0.07138310|-0.10421952|-0.06698069|-0.00108980|-0.00015536|-0.00119192|0.00057098|0.00017844|0.00078653|0.00041423|0.00009750|-0.00066097|0.00029418|0.00023239|-0.00022730|-0.00005017|0.00002593|0.00001803|-0.00139440|0.00005841|-0.00003539|-0.00011356|-0.00001003|-0.00003077|-0.00000216|-0.00001680|-0.00000571|0.00024558|0.00011662|-0.00034505|0.00001492|0.00022086|-0.00050502|-0.00146701|0.00167255|-0.00044029|0.00394060|-0.00303910|0.00204131|0.08138215|0.11465292|-0.00024237|-0.00058084|0.00032851|-0.01299832|-0.00321243|-0.00737171|0.00135942|-0.00259246|-0.00037237|0.00535933|-0.00156253|-0.00120332|0.00023430|0.00122896|0.00062674|-0.00005751|0.00037358|-0.00031953|0.01668006|0.01240729|0.01945788|0.00030399|0.00055704|-0.00054250|-0.01296394|-0.00966230|-0.01343240|-0.13147443|-0.07444727|-0.17894294|-0.00055286|0.00173960|0.00108952|0.00048707|0.00015475|0.00039255|0.00042754|0.00003962|-0.00020180|0.00039964|0.00010548|-0.00028589|-0.00001700|0.00008083|0.00023553|-0.00068394|0.00011688|0.00021461|0.00001930|0.00017909|0.00009043|0.00004225|-0.00001979|-0.00004489|-0.00024989|-0.00017362|0.00019235|-0.00009231|-0.00041957|0.00042978|0.00125261|-0.00007299|0.00115238|-0.00249737|0.00320905|-0.00120949|0.13525896|0.07260379|0.17970790|-0.00059119|0.00041600|-0.00057193|0.00343773|0.00185801|-0.00281898|0.00122421|-0.00066783|0.00070775|-0.00020499|0.00029436|0.00033300|0.00015582|-0.00003852|-0.00008595|0.00002891|-0.00000540|0.00002240|0.00003476|-0.00013532|0.00006285|-0.00004399|0.00008767|-0.00001764|0.00000619|0.00003321|-0.00001676|-0.00003991|0.00007333|0.00005529|0.00448513|0.00109703|-0.00097052|-0.21231742|0.12445672|-0.17090474|0.00002253|0.00000042|0.00000820|0.00001766|-0.00003633|0.00002223|0.00008937|-0.00002888|-0.00012510|-0.00007848|-0.00001997|-0.00012203|-0.00003179|0.00000044|-0.00001008|0.00001279|-0.00000890|-0.00000159|0.00000192|-0.00001907|-0.00000562|0.00000779|-0.00000074|0.00000670|0.00000218|-0.00003022|0.00001000|0.00001281|-0.00000262|0.00001198|-0.00000824|0.00003168|0.00000548|0.20377618|-0.00003933|-0.00008753|0.00014438|0.00130291|0.00518543|0.00162305|0.00118043|-0.00051544|0.00039576|0.00015162|0.00041510|0.00029677|-0.00006260|-0.00009329|-0.00004456|0.00001878|-0.00005956|-0.00001521|-0.00017418|-0.00016996|-0.00004939|-0.00002975|0.00005032|-0.00004568|-0.00004934|0.00003408|0.00021687|-0.00050114|0.00054107|-0.00091080|0.00087228|0.00576808|0.00057779|0.12485360|-0.11970754|0.11879389|0.00000754|-0.00002892|-0.00000805|-0.00001448|-0.00003277|0.00004510|-0.00003403|-0.00002992|-0.00000990|-0.00000328|0.00003421|-0.00001499|-0.00003269|0.00001349|-0.00000091|-0.00000327|-0.00000626|0.00000289|-0.00000331|-0.00000903|0.00001248|-0.00003125|0.00000598|0.00000984|-0.00003542|0.00003285|-0.00000529|0.00000233|-0.00000753|-0.00002306|-0.00002033|-0.00009977|-0.00005216|-0.12735511|0.10876690|0.00083991|-0.00055130|0.00066522|-0.00275856|0.00178211|0.00410886|0.00002684|-0.00008975|-0.00041820|-0.00035593|0.00011072|0.00022530|0.00014940|-0.00000279|-0.00009840|0.00001966|0.00000281|-0.00001250|0.00003101|-0.00007579|-0.00011138|-0.00002485|0.00005565|0.00001264|0.00001251|0.00005296|0.00012063|-0.00043120|0.00046113|-0.00057843|0.00017731|0.00021216|0.00528442|-0.17190407|0.11901679|-0.19414613|-0.00002514|-0.00002272|-0.00008870|-0.00001867|0.00004488|-0.00005189|-0.00009069|-0.00003013|0.00022679|-0.00004584|-0.00001341|0.00001630|0.00000973|0.00000211|0.00001199|-0.00000791|0.00000645|0.00000639|0.00000699|-0.00001886|-0.00000751|0.00000486|-0.00000666|0.00000470|-0.00002010|0.00001142|-0.00000735|-0.00000920|-0.00000253|-0.00001692|0.00000888|-0.00000643|0.00000865|0.17440506|-0.12093883|0.18484551|
164.10620
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|
73.8894 92.7752 150.2120 156.5556 198.8313 215.8513 229.2640 258.6338 286.7568 360.6469 403.4225 452.0953 491.8998 552.6961 586.3004 662.2671 683.8139 725.7590 770.0883 806.9536 820.2220 825.2143 865.8422 906.9594 950.3946 998.9976 1009.5303 1066.7770 1104.7087 1120.3177 1162.7190 1186.5737 1209.1619 1232.5919 1265.1221 1292.3545 1319.6337 1330.5707 1362.0665 1392.3965 1403.6118 1419.2767 1450.6799 1493.5827 1526.4171 1559.5764 1570.6864 1630.0799 1636.9042 1645.2348 1671.5034 1826.9240 1936.6203 2407.5131 3222.7347 3251.6521 3263.7487 3284.8332 3287.6058 3301.0029 3313.0753 3323.6229 3663.0719 3698.9946 3783.9298 3864.1601
4.9869 2.7301 1.3072 2.2212 3.2366 2.9776 2.0069 2.2883 1.5603 3.9148 3.0365 3.9735 5.3010 3.4158 4.1140 4.1547 1.7816 3.3295 1.7448 1.3275 6.2930 1.3315 2.3595 2.5001 2.7519 2.4664 2.4690 2.0075 2.6692 3.0693 2.5209 4.3078 1.9621 1.3071 2.8285 2.5042 1.8004 1.7057 2.1231 1.4233 1.4359 1.1931 1.5003 1.6001 3.3705 1.5251 1.4027 1.0832 1.0807 1.0627 1.1280 1.2046 4.5596 5.6755 1.0367 1.0595 1.0617 1.0947 1.1038 1.1049 1.1042 1.1094 1.1706 1.0532 1.0908 1.0777
0.0160 0.0138 0.0174 0.0321 0.0754 0.0817 0.0621 0.0902 0.0756 0.3000 0.2912 0.4785 0.7557 0.6148 0.8332 1.0736 0.4908 1.0333 0.6097 0.5093 2.4944 0.5342 1.0422 1.2117 1.4645 1.4503 1.4826 1.3460 1.9192 2.2697 2.0080 3.5735 1.6902 1.1700 2.6673 2.4642 1.8472 1.7792 2.3207 1.6258 1.6668 1.4160 1.8603 2.1030 4.6269 2.1856 2.0389 1.6957 1.7061 1.6949 1.8569 2.3688 10.0754 19.3817 6.3439 6.6003 6.6634 6.9597 7.0289 7.0935 7.1408 7.2203 9.2548 8.4901 9.2021 9.4815
0.6943 0.8933 24.6777 8.2251 0.6489 1.5505 1.3683 0.9005 0.0287 5.0854 1.0053 2.1710 4.3976 21.9321 19.6942 20.7126 81.4889 37.7439 7.0721 42.6865 14.4488 38.9945 8.4810 33.5755 5.6923 14.5227 4.0622 6.7038 7.1829 7.7083 7.4947 37.4706 29.6295 121.1812 27.0434 30.0920 24.5707 37.9689 1.7326 9.5296 5.0363 12.9859 20.1279 5.9387 186.2378 40.1513 12.4957 0.8748 2.4378 1.9029 2.1791 38.7350 657.7389 1.1169 17.9018 37.1648 56.6935 16.0568 24.0364 25.3996 20.1668 55.9719 58.4874 1.6316 1.4852 60.6125
5.1010 1.2704 0.4458 6.0146 2.6110 3.5630 1.0247 1.1225 1.1232 2.9596 0.4255 1.9277 4.9124 3.7368 2.4293 8.0181 4.3490 2.6122 1.2736 3.6079 3.7544 2.8775 8.1141 2.3793 8.5839 3.1158 16.0329 2.6292 6.4441 9.4728 3.7271 4.2180 11.1464 2.0807 5.5315 0.8584 6.7519 5.0937 7.5322 3.3900 1.2455 4.0737 2.7035 6.6449 3.9902 2.6122 3.0687 3.7696 18.2646 15.7429 6.0034 29.6568 10.1490 134.5711 93.0313 66.2365 143.0618 77.1773 66.8555 82.3923 50.8977 76.8635 34.0338 164.3851 120.2702 45.3906
0.7482 0.7332 0.7046 0.7449 0.7443 0.6686 0.7392 0.5298 0.6276 0.4535 0.5220 0.6640 0.2642 0.1615 0.6933 0.2556 0.2535 0.3111 0.6334 0.6884 0.2880 0.7053 0.2893 0.2754 0.4513 0.4770 0.2964 0.6883 0.2579 0.6773 0.6353 0.5464 0.1083 0.7185 0.7384 0.7452 0.6334 0.7484 0.6144 0.7285 0.6977 0.6628 0.4451 0.7484 0.6845 0.7465 0.7451 0.7258 0.7486 0.7435 0.7082 0.4263 0.2625 0.2675 0.0245 0.3357 0.0862 0.3074 0.7479 0.3673 0.7412 0.7355 0.2560 0.1535 0.6482 0.2341
0.8560 0.8461 0.8267 0.8538 0.8534 0.8014 0.8500 0.6926 0.7712 0.6241 0.6859 0.7980 0.4180 0.2781 0.8188 0.4071 0.4044 0.4746 0.7756 0.8155 0.4472 0.8272 0.4488 0.4318 0.6220 0.6459 0.4573 0.8153 0.4100 0.8076 0.7770 0.7067 0.1954 0.8362 0.8495 0.8540 0.7755 0.8561 0.7611 0.8429 0.8219 0.7972 0.6160 0.8561 0.8127 0.8549 0.8540 0.8411 0.8562 0.8529 0.8292 0.5978 0.4159 0.4221 0.0478 0.5027 0.1588 0.4702 0.8558 0.5372 0.8514 0.8476 0.4076 0.2661 0.7866 0.3794
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 7 7 7 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 14.00307 14.00307 14.00307 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
1479.88192 2001.72428 2703.21419
0.99982 0.01796 0.00531 -0.01797 0.99984 0.00083 -0.00530 -0.00092 0.99999
1
0.05853 0.04327 0.03204
1.21952 0.90159 0.66763
106.31 133.48 216.12 225.25 286.07 310.56 329.86 372.12 412.58 518.89 580.43 650.46 707.73 795.21 843.56 952.85 983.86 1044.21 1107.99 1161.03 1180.12 1187.30 1245.75 1304.91 1367.41 1437.33 1452.49 1534.85 1589.43 1611.89 1672.89 1707.21 1739.71 1773.42 1820.23 1859.41 1898.66 1914.39 1959.71 2003.35 2019.48 2042.02 2087.20 2148.93 2196.17 2243.88 2259.87 2345.32 2355.14 2367.13 2404.92 2628.54 2786.36 3463.87 4636.80 4678.40 4695.81 4726.14 4730.13 4749.41 4766.78 4781.95 5270.34 5322.03 5444.23 5559.66
0.216467
0.227284
0.228228
0.180102
-527.360168
-527.349351
-527.348407
-527.396533
1.614154D-04
MUNgauss
RevisionA2.1
retrievium
17-Nov-2022
GDB_13 Smiles: CC1(NC(=NN)N2CCC12)C#C
RHF
6-31G(d)
(6D,10F)
C1
164.106196
|X|Y|Z|
26.028837 30.844362 17.004253
23.899897
7
|36.858105|
|12.449825|36.858105|
|7.714807|13.122212|53.358707|
|5.285345|8.112631|18.871259|36.858105|
|4.004449|5.336818|10.934379|15.105587|53.358707|
|3.787322|4.677148|9.789610|8.551876|18.112919|53.358707|
|5.141942|7.932031|11.480650|13.644656|11.127504|7.268606|53.358707|
|4.464405|5.684944|7.960552|7.794590|8.420263|5.976720|17.524817|36.858105|
|6.008114|7.026904|8.250441|6.367175|6.501797|5.185028|12.103856|12.321965|36.858105|
|7.343430|12.313905|11.288749|8.235009|7.365530|5.773137|17.623899|9.038223|12.323945|36.858105|
|7.751673|12.811612|10.683059|5.983191|6.055683|5.508175|8.112655|4.310574|4.846018|7.686163|36.858105|
|5.473014|7.124752|7.456874|4.612492|5.080571|4.748393|6.284470|3.511526|3.798637|5.419021|16.049826|36.858105|
|17.576240|8.828729|9.350109|4.653985|5.052886|5.065560|5.800038|3.678902|4.535442|5.413083|7.105099|5.431288|0.500000|
|17.566975|8.803875|7.621209|4.323077|4.610779|4.302914|6.147791|4.062293|5.596167|6.641976|7.008539|5.352009|0.301691|0.500000|
|17.610506|8.815306|9.649615|5.164816|5.463828|5.179909|6.785301|4.710469|6.613349|6.695481|5.597824|4.236493|0.301344|0.299512|0.500000|
|6.561276|8.883136|26.012127|9.397254|9.840342|10.912461|8.236409|4.541214|4.620424|5.861377|6.989545|5.315115|0.187132|0.135819|0.166086|0.500000|
|3.215407|3.908426|7.402596|6.449637|13.297685|25.873081|6.178015|3.793397|3.263793|3.629373|3.586344|3.219801|0.088604|0.076721|0.088613|0.167490|0.500000|
|3.554775|4.142805|8.200254|6.841644|13.151568|25.812609|6.393086|4.209744|3.678555|3.847346|3.503224|3.031037|0.096920|0.082820|0.103045|0.179533|0.332352|0.500000|
|3.711563|4.572287|6.158515|5.786552|6.823584|5.022646|12.228426|17.612392|8.577515|6.951271|3.778043|3.212118|0.086932|0.097844|0.106309|0.102870|0.092390|0.098211|0.500000|
|4.000151|4.826602|7.427349|7.377946|9.132326|6.494640|12.033395|17.626998|8.436282|6.395840|3.714746|3.085073|0.094775|0.099171|0.121308|0.122609|0.113335|0.133521|0.299996|0.500000|
|5.109009|5.471004|6.246094|4.727400|5.165555|4.266735|8.599803|8.431690|17.594386|8.479753|4.190491|3.437005|0.110075|0.144534|0.153332|0.103204|0.076724|0.084707|0.211396|0.175765|0.500000|
|6.588433|6.712466|8.451019|5.992333|6.320335|5.320655|9.334799|8.659934|17.605816|8.586165|4.479009|3.519532|0.137775|0.160965|0.234060|0.133972|0.091271|0.108285|0.173142|0.214295|0.299916|0.500000|
|6.060202|8.727569|8.123272|6.003321|5.983943|4.832422|12.169552|6.948514|8.651455|17.629561|7.533999|5.762007|0.130669|0.171885|0.147540|0.130137|0.087687|0.089476|0.175779|0.140830|0.215259|0.173135|0.500000|
|4.266920|5.106127|5.803278|3.769363|4.369614|4.155180|5.143935|2.990832|3.168633|4.233421|8.489515|18.021840|0.120541|0.118939|0.096101|0.118261|0.080387|0.074356|0.077882|0.074113|0.081609|0.081995|0.127116|0.500000|
527.062837
-2673.613809
970.802282
-72.382641
-1248.131330
720.554692
-527.576638
2.000975
4030000000000000
41AB8C43C2000001
414408EB75D1745E
40A809FFFFFFFFFF
4030000000000000
4112C62800000000