Version2.5
2022-12-21T12:48:07Z
10.1021/ja902302h
Gaussian16
RevisionB.01
DOC1ROB
29-Nov-2022
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
GDB_13 Smiles: CC1CN2N=CC(C)=CC12C=C
RHF
6-31G(d)
(6D,7F)
CC1CN2N=CC(C)=CC12C=C
C1[X(C10H14N2)]
72
C1
208
CC1CN2N=CC(C)=CC12C=C
C=CC12C=C(C)C=NN2CC1C
CC1CN2N=CC(=CC12C=C)C
InChIKey=MJNWJGBIUQJDJV-UHFFFAOYSA-N
InChI=1S/C10H14N2/c1-4-10-5-8(2)6-11-12(10)7-9(10)3/h4-6,9H,1,7H2,2-3H3
InChI=1/C10H14N2/c1-4-10-5-8(2)6-11-12(10)7-9(10)3/h4-6,9H,1,7H2,2-3H3
CC1CN2N=CC(C)=CC12C=C
C01[X(C10H14N2)]
72
C1
208
CC1CN2N=CC(C)=CC12C=C
CC[C@]12C[C@H](C)CN[N@@]2C[C@@H]1C
CC[C@@]12C[C@H](C)CNN1C[C@@H]2C
InChIKey=FNDOPFCAKUYMCY-GUBZILKMSA-N
InChI=1S/C10H20N2/c1-4-10-5-8(2)6-11-12(10)7-9(10)3/h8-9,11H,4-7H2,1-3H3/t8-,9-,10-/m0/s1
InChI=1/C10H20N2/c1-4-10-5-8(2)6-11-12(10)7-9(10)3/h8-9,11H,4-7H2,1-3H3/t8-,9-,10-/m0/s1
4.952394642438D+02
-2.589852248381D+03
717.1734407300
-495.614567
1-A
1907.7437
44
164
208
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
-15.58599 -15.57340 -11.26889 -11.26241 -11.24774 -11.24466 -11.23640 -11.23407 -11.23010 -11.22155 -11.22071 -11.20932 -1.33050 -1.17617 -1.10756 -1.04314 -1.02087 -0.97313 -0.91782 -0.89341 -0.83368 -0.78617 -0.75696 -0.69416 -0.68206 -0.67238 -0.62167 -0.60774 -0.58900 -0.57906 -0.57804 -0.56876 -0.56215 -0.55264 -0.53296 -0.51696 -0.49671 -0.48666 -0.47157 -0.44806 -0.41719 -0.36817 -0.35095 -0.31010
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
0.11808 0.19433 0.23049 0.24519 0.25332 0.26689 0.27405 0.28430 0.29375 0.30440 0.31016 0.31813 0.32697 0.32998 0.33790 0.35350 0.35637 0.36677 0.37401 0.39659 0.41791 0.43425 0.45500 0.48104 0.50014 0.53965 0.54560 0.55978 0.64623 0.65430 0.69709 0.71773 0.73263 0.73679 0.75321 0.77006 0.78234 0.78823 0.80794 0.82182 0.83151 0.85845 0.86494 0.87105 0.89136 0.90497 0.93219 0.93335 0.96143 0.97383 0.98942 1.00272 1.01782 1.02178 1.03651 1.04888 1.06312 1.09860 1.10122 1.11957 1.13280 1.13893 1.14813 1.15796 1.16786 1.17069 1.18143 1.19287 1.20573 1.21465 1.23252 1.23665 1.24668 1.25545 1.27086 1.28902 1.30763 1.33169 1.36177 1.38473 1.40668 1.42283 1.44454 1.48208 1.53571 1.58339 1.63297 1.64915 1.67161 1.68656 1.74452 1.77601 1.81377 1.82262 1.87477 1.88660 1.93818 1.96478 1.98706 2.03557 2.06008 2.08357 2.11106 2.13801 2.15584 2.16761 2.18140 2.20549 2.23893 2.25544 2.29300 2.29984 2.33089 2.35530 2.37509 2.39190 2.43674 2.45690 2.46569 2.48682 2.49605 2.53194 2.54834 2.58169 2.60869 2.61543 2.65382 2.66565 2.69255 2.70180 2.72316 2.73964 2.76850 2.79139 2.80898 2.85085 2.88905 2.91649 2.95259 2.97615 3.00316 3.03291 3.06932 3.11667 3.14110 3.19375 3.22493 3.26159 3.31892 3.35644 3.49316 3.72332 4.38875 4.51446 4.54607 4.59068 4.66786 4.69204 4.75835 4.80414 4.85596 4.95626 5.06323 5.43375
11.65128
-0.5363 1.9868 -2.2553
3.0531
|XX|YY|ZZ|XY|XZ|YZ|
-66.9627 -73.4427 -75.5500 0.5823 0.4316 2.0553
|XX|YY|ZZ|XY|XZ|YZ|
5.0224 -1.4576 -3.5649 0.5823 0.4316 2.0553
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-17.2660 -4.7013 -14.8376 4.4306 3.0365 6.1041 4.5908 7.3393 -0.0262 3.2294
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-1226.6527 -772.9772 -581.6393 17.9033 -3.3242 -15.8542 8.2334 8.7471 8.6933 -338.6427 -294.0627 -227.2205 -0.1666 -2.6910 -5.8012
0
|0.65075697|0.00189186|0.55596317|-0.00388508|0.01612652|0.64143003|-0.10079118|0.01600182|-0.00404666|0.65023055|0.01438778|-0.23161577|0.02311385|-0.03276775|0.61605061|-0.00414236|0.02664396|-0.10479981|-0.09466720|-0.03378768|0.49615993|-0.00122874|-0.00195973|-0.00831379|-0.08972903|0.00963308|0.04300694|0.63684885|-0.00512798|-0.00542343|0.03384749|0.01508100|-0.08854491|0.04673235|-0.09691629|0.54214861|0.00060194|0.00445582|-0.00118316|0.02139110|0.02520081|-0.18128292|0.06196331|0.05262796|0.65638216|-0.00467250|-0.00090226|0.00298319|-0.02801463|-0.05814544|0.01726929|-0.11371044|-0.10082770|-0.02693855|0.55103996|-0.00203078|-0.00042769|0.00246395|-0.04320776|-0.04639693|0.02209692|-0.03421643|-0.15985783|-0.04139481|0.18198287|0.36148258|0.00178778|-0.00046198|-0.00352800|0.02047394|0.03691914|-0.02461496|-0.03706319|-0.08484409|-0.12330131|-0.02658800|-0.01863238|0.57915348|0.00017599|0.00081361|-0.00098846|0.00042391|0.00093260|0.00445711|-0.03946075|0.00443435|0.00452176|-0.21592692|-0.09076529|0.10233277|0.86516060|-0.00108437|-0.00007522|0.00021627|-0.00508998|-0.00769042|0.00608447|-0.02998067|-0.01004448|0.01248505|0.00502931|-0.06394276|0.00350141|-0.09510058|0.19261689|0.00110477|0.00052369|0.00278776|-0.00140428|-0.00076463|-0.00461643|-0.00689083|0.00644812|0.01873625|0.04732364|0.02827428|-0.18557239|0.15280571|-0.15525838|0.41943571|0.00023566|0.00008376|0.00121262|0.00011191|-0.00037815|-0.00309442|0.00409338|0.00591610|0.00782639|-0.09825034|-0.00019553|-0.00928655|-0.56251785|0.12678678|-0.19846951|1.03706451|-0.00059272|0.00034979|0.00056494|-0.00140512|-0.00021279|0.00107756|-0.00246578|0.00232208|0.00250543|-0.02237728|0.00155503|-0.00377699|0.14817030|-0.11154615|0.09678569|-0.05780830|0.33072403|0.00040577|-0.00022091|-0.00022852|0.00075004|0.00187273|-0.00158514|0.00215186|-0.00155569|-0.00050930|0.01738127|0.00505498|0.02111996|-0.23315807|0.09768543|-0.24172364|0.07390360|-0.25761592|0.58898050|0.00032499|0.00071538|-0.00001304|-0.00092340|0.00427521|-0.00000060|-0.00210633|-0.00048861|-0.00049677|0.00824791|0.00189421|0.00058882|-0.00106700|0.01693655|-0.03714972|-0.13030858|0.01609066|-0.00705228|0.88918173|0.00001022|-0.00064399|0.00040455|0.00172937|-0.00307498|-0.00192328|-0.00013443|-0.00032396|0.00270688|-0.01529675|-0.00894297|0.00117386|0.03015190|0.02098196|0.02270453|-0.00494162|-0.14205520|0.08001534|0.02662034|0.35333366|-0.00008425|-0.00001450|-0.00074006|-0.00453822|0.00094096|0.00209830|-0.00014770|-0.00060781|-0.00138514|0.01457755|-0.01070046|-0.00772681|-0.03225341|0.03653093|-0.01194229|0.00948852|0.07098936|-0.19659349|-0.16450782|-0.23663618|0.55561386|0.00004509|0.00000381|-0.00005010|-0.00013733|0.00015948|-0.00017297|-0.00048399|-0.00028024|-0.00023787|0.00005711|0.00084993|-0.00057345|0.00173215|-0.00260011|0.00492604|0.00031794|0.00404436|-0.00643496|-0.23179616|0.04242264|-0.02972869|0.57194647|0.00004093|-0.00028750|-0.00029212|0.00131020|-0.00094785|0.00034572|-0.00004107|0.00005380|-0.00022949|0.00062088|-0.00001708|-0.00048745|-0.00117789|-0.00206434|0.00518821|0.02380634|-0.00425936|0.00525967|0.04518348|-0.11021252|0.02050138|0.01875816|0.62686760|-0.00004915|-0.00028507|0.00000746|0.00156577|-0.00185206|0.00002529|0.00032162|0.00042926|0.00013481|0.00081294|-0.00022403|0.00041625|-0.00057565|0.00310853|-0.00636548|-0.03130751|0.01005092|-0.00362743|-0.03356952|0.02156459|-0.10874339|-0.01894226|-0.02179254|0.64690015|0.00099710|0.00015707|0.00065561|-0.02589020|0.00630475|-0.00459770|0.00196720|-0.00068873|-0.00064121|0.00923215|-0.00246871|-0.00824127|-0.00996479|0.00715930|-0.00527182|0.01519980|-0.01385751|0.01637509|-0.47274610|-0.09398189|0.20160345|-0.02962464|-0.00811644|0.01824279|0.81289484|-0.00003648|0.00108493|-0.00039524|-0.01881736|0.01907741|-0.00336890|-0.00237060|-0.00492991|-0.00090492|0.02129911|-0.00689649|0.01135139|-0.00383593|-0.00076500|-0.00061069|-0.01973734|-0.00110477|0.01800374|-0.10064570|-0.12652409|0.09870518|0.01033362|0.01047289|-0.00599278|0.02604109|0.41038588|-0.00059315|-0.00049412|0.00163158|-0.00181915|-0.00154419|-0.00086984|0.00073023|0.00281101|0.00008163|-0.03877238|0.01979037|-0.01807820|0.00656924|-0.00261488|0.00474251|0.02609990|0.01913591|-0.02286822|0.21366343|0.09588313|-0.23707628|-0.00680433|-0.00269869|0.01171899|-0.18656489|-0.29868511|0.61957558|0.00792795|-0.00027536|0.00901288|-0.13003367|-0.02484366|-0.03295221|-0.00651966|-0.00540626|-0.02770460|-0.10998491|0.00466184|-0.01130856|0.00169429|-0.01191526|0.03272069|0.00283428|-0.00404008|0.00498830|-0.03126134|0.01534223|-0.00679073|0.00112225|0.00063867|0.00392427|-0.21046980|0.04702915|-0.01735501|0.57773048|-0.02233468|-0.01550897|-0.01412613|-0.03282540|-0.11810071|-0.03527185|-0.01995067|-0.00088352|-0.02863334|0.00771739|-0.08300081|0.07685872|-0.00669905|-0.01364951|0.00793151|0.00057719|-0.00408925|-0.00859136|-0.00792136|0.00866768|-0.00492547|-0.00109877|0.00904103|0.00951505|0.05656028|-0.11769150|0.02504404|-0.03664531|0.51281804|0.00620928|0.00277703|0.00259525|-0.00905853|-0.00997347|-0.07065056|-0.04307580|-0.00881087|-0.07264516|-0.01370612|0.01908014|-0.19481535|0.01962638|0.01809994|-0.00807771|-0.00830970|-0.00696247|-0.00468332|0.01693214|-0.01403871|0.01800280|0.00339205|0.01004752|0.00244208|-0.02635767|0.02642733|-0.11217617|0.02703948|0.02458064|0.61624206|-0.00248291|-0.00075534|-0.00273761|0.01202160|-0.01409866|-0.01342957|-0.00355842|-0.00076935|-0.00268748|0.00479340|0.00112190|0.00197067|-0.00207734|-0.00119721|0.00124667|0.00130571|0.00192385|-0.00028809|-0.00126372|0.00307145|-0.00149624|-0.00067212|-0.00290638|-0.00111922|-0.01744112|0.02743744|0.02426091|-0.09893980|0.02789336|0.03104904|0.24035346|-0.00141796|-0.00033787|-0.00169425|0.00516060|-0.02086412|-0.01973740|-0.00021133|-0.00115777|0.00101967|-0.00926969|0.01500925|0.01040236|0.00099496|0.00205916|0.00322785|-0.00006718|-0.00173570|0.00020376|0.00029489|-0.00013451|-0.00024707|0.00046790|0.00138758|0.00073351|0.01282022|-0.01256811|-0.01310719|0.02667470|-0.16605328|-0.06151282|-0.17065302|0.94697808|0.00093868|0.00003765|0.00083121|-0.00513499|-0.00749624|-0.00379149|0.00014693|0.00108677|-0.00415410|0.01133737|-0.01590918|-0.03467943|-0.00277270|-0.00429897|-0.00019719|0.00142524|0.00285896|-0.00170470|-0.00463103|0.00134431|-0.00079622|-0.00042709|-0.00199702|-0.00005981|0.00573322|-0.00001980|0.01514213|0.03155323|-0.04971895|-0.16579005|-0.05188986|-0.11379158|0.65020517|0.00068291|0.00008755|0.00013868|-0.00278388|-0.00067835|-0.00015726|-0.00011112|0.00005753|-0.00031361|0.00060539|-0.00015198|-0.00062022|0.00003308|-0.00033371|0.00026344|0.00014529|0.00054491|-0.00043671|-0.00020396|0.00012190|0.00026278|-0.00004481|-0.00028063|-0.00005993|0.00051366|0.00034375|0.00129626|0.00365913|0.01304043|0.00064599|-0.09241680|0.12634367|-0.00576028|0.20098518|-0.00062111|-0.00002998|-0.00026204|0.00308398|0.00128939|0.00055487|0.00023551|0.00004271|0.00020274|0.00080662|-0.00334375|0.00034013|-0.00035390|0.00009335|-0.00017411|-0.00018010|0.00013414|-0.00025102|0.00027018|-0.00043949|0.00094446|0.00010735|0.00024582|-0.00000572|-0.00075995|0.00004816|-0.00294258|0.00684407|-0.02041844|-0.00255106|0.12448294|-0.62833244|0.08296103|-0.19011266|0.95119053|-0.00078212|-0.00012487|-0.00102327|0.00248357|-0.00279792|-0.00168130|-0.00017333|-0.00051845|0.00031148|-0.00137877|0.00136813|0.00082503|0.00055509|0.00066704|-0.00034774|-0.00001490|-0.00105421|0.00055129|0.00148542|-0.00042959|0.00051666|0.00021113|0.00073949|0.00003621|-0.00073400|-0.00156514|-0.00442917|0.00447134|-0.02992462|0.01246755|-0.00315831|0.07620353|-0.14685783|-0.08854511|-0.06235773|0.72224151|-0.20219456|-0.10109058|-0.09995300|0.00395063|0.00333479|0.00328972|0.00011067|-0.00058832|-0.00016412|0.00023603|0.00024987|0.00028785|-0.00012149|-0.00015498|0.00018420|0.00009170|0.00024878|-0.00019884|0.00023266|-0.00021450|-0.00008637|0.00001261|-0.00007919|0.00000403|-0.00016789|-0.00028913|-0.00016478|0.00064628|0.00141570|-0.00054410|-0.00000456|-0.00015266|0.00008819|-0.00000536|0.00001276|-0.00003962|0.21466364|-0.10048462|-0.12929895|-0.07053298|-0.03013151|-0.01951852|-0.02117769|-0.00071361|0.00115632|0.00020718|-0.00075168|0.00003675|0.00017533|0.00004879|-0.00019392|0.00078982|0.00019683|-0.00002262|-0.00016167|-0.00024109|0.00020907|-0.00001764|-0.00000228|-0.00001925|0.00006418|0.00111394|0.00020476|0.00057201|0.00473391|-0.00450416|0.00159490|-0.00118170|-0.00078359|0.00052301|0.00017553|-0.00020324|-0.00048348|0.11131468|0.13938867|-0.09993050|-0.07116396|-0.12880716|0.00720847|0.00491777|0.00471991|0.00041092|-0.00071486|0.00066005|-0.00003146|-0.00030395|0.00054167|0.00007963|-0.00008100|-0.00018494|-0.00010767|0.00001408|-0.00002131|0.00002545|-0.00011194|0.00021481|0.00001804|0.00001429|-0.00001228|-0.00022582|0.00017062|-0.00040090|-0.00004486|0.00230580|0.00052666|0.00030902|0.00039249|-0.00032598|-0.00005035|0.00003736|0.00018549|0.11163220|0.07727778|0.13330001|-0.06400120|-0.00552045|0.03347905|-0.00025090|0.00018135|-0.00396928|0.00087494|0.00068118|0.00119389|0.00011554|0.00013192|-0.00031493|0.00009130|0.00013250|-0.00002408|0.00004494|-0.00003295|-0.00005876|-0.00000823|0.00003068|-0.00022704|-0.00000164|0.00000941|0.00004777|-0.00001215|-0.00005566|0.00048535|0.00029196|0.00024259|0.00044883|0.00003949|-0.00007134|0.00001221|-0.00004253|0.00003376|-0.00001701|0.00465226|0.00626349|-0.02744711|0.06019356|-0.00515099|-0.06842375|0.04824274|-0.00514093|-0.00387888|0.04114312|0.00318040|-0.00632846|-0.00155481|-0.00109145|-0.00052284|0.00104906|0.00020511|-0.00006664|-0.00088458|-0.00028990|-0.00022603|0.00016060|0.00000385|-0.00003081|-0.00001852|0.00002361|0.00006050|-0.00000037|-0.00012639|-0.00017093|-0.00030797|-0.00107411|0.00119134|-0.00008026|0.00005977|-0.00009461|0.00034747|0.00009086|-0.00003042|-0.00013798|0.00404853|0.00408496|-0.01906020|0.00601128|0.07067807|0.03322369|0.04924400|-0.32840742|0.00100161|-0.00010503|-0.00430771|-0.00099053|0.00030781|0.00159711|0.00074315|0.00065410|-0.00019413|-0.00026122|-0.00006583|0.00036023|0.00003391|0.00005405|0.00000765|0.00009135|-0.00009819|0.00013353|-0.00001076|-0.00002246|-0.00006877|-0.00015071|0.00053599|-0.00038479|-0.00003110|0.00037863|-0.00001136|0.00028212|0.00033215|-0.00032564|-0.00004628|0.00002534|0.00019757|0.00229660|0.00270604|-0.01744527|-0.03676286|-0.05521000|0.35609804|-0.28668714|0.08969362|0.07232824|-0.00099445|0.00087623|0.00047277|0.00012192|0.00019479|0.00065718|0.00016490|-0.00015759|-0.00027731|0.00033127|0.00007017|0.00001462|-0.00012239|0.00040132|-0.00036130|-0.00000837|-0.00059365|0.00021677|-0.00003887|-0.00012186|-0.00009078|-0.00032571|-0.00069323|-0.00056701|-0.00020478|0.00001251|-0.00024094|0.00015089|0.00002974|-0.00009652|0.00002616|0.00002940|0.00005824|-0.02255154|0.00899605|0.00803055|-0.00200800|0.00003753|0.00114224|0.31013686|0.08717181|-0.09361230|-0.02712004|0.03619914|-0.01244017|-0.01163909|0.00081155|0.00130280|-0.00137250|-0.00024042|0.00024660|0.00017950|0.00024152|0.00036564|-0.00031575|-0.00028136|-0.00032757|0.00021478|-0.00057642|0.00030828|0.00029542|-0.00006829|0.00003765|-0.00006152|-0.00024319|-0.00046449|-0.00025446|0.00086175|0.00129411|-0.00073860|-0.00014867|0.00008089|-0.00006222|-0.00019885|0.00009441|0.00000480|-0.01709620|0.00781678|0.00740941|-0.00703810|0.00231657|0.00079825|-0.09841706|0.10025449|0.07240763|-0.02854053|-0.08316149|-0.00757551|0.00242785|0.00175571|-0.00108913|0.00039574|0.00085102|-0.00032993|-0.00021233|0.00010770|0.00021220|0.00020949|-0.00036063|-0.00009273|-0.00024274|0.00015440|-0.00013032|0.00018055|-0.00000757|0.00000333|0.00006385|0.00004206|0.00020227|-0.00017885|0.00030009|0.00049221|-0.00047288|0.00009887|-0.00001112|-0.00002910|-0.00015010|-0.00003966|-0.00000329|0.00004895|-0.01767525|0.00837671|0.00654878|0.03413673|-0.01349515|-0.00863457|-0.08023737|0.02982189|0.08246546|0.00009572|0.00011487|0.00031004|-0.29349466|0.08661864|0.07650464|-0.00116450|0.00040684|-0.00082784|0.00043572|-0.00128177|-0.00012608|-0.00077207|-0.00119929|0.00075974|0.00059206|0.00000791|-0.00015763|-0.00077361|0.00070017|-0.00105474|0.00001487|0.00021619|0.00056078|-0.00165087|-0.00442771|0.00066312|-0.02154707|0.00969472|0.00656167|0.00117662|0.00272131|0.00070711|0.00116143|-0.00060879|0.00007267|0.00071174|0.00071352|0.00007431|0.00012484|0.00036902|-0.00056266|0.00147504|-0.00005229|-0.00027389|0.31266528|0.03581799|-0.01282757|-0.01148992|0.08827428|-0.09310544|-0.02758359|-0.00760540|0.00302328|0.00208782|0.00016377|-0.00147844|0.00016525|-0.00023797|-0.00060631|0.00031931|0.00027009|-0.00022802|0.00000801|-0.00071468|0.00064902|-0.00071354|0.00000475|0.00013910|0.00034716|-0.00171885|-0.00286652|0.00076457|-0.01835307|0.00683890|0.00499094|-0.00118271|0.00167239|-0.00041338|0.00002941|-0.00016997|0.00027323|-0.00068610|0.00154979|-0.00072577|-0.00040354|0.00175856|0.00055306|0.00015945|-0.00779828|0.00188962|-0.09273046|0.10276913|-0.00829620|0.00330707|0.00381049|0.07729868|-0.02692267|-0.08528533|0.03301664|-0.01593082|-0.00975383|0.00040894|0.00104214|-0.00093405|-0.00032599|0.00011652|0.00117556|0.00017239|0.00036287|-0.00047733|-0.00088892|0.00058445|-0.00036319|-0.00009943|0.00016690|0.00044986|-0.00167186|-0.00337361|0.00017328|-0.01698858|0.00660560|0.00358101|-0.00008356|0.00062919|0.00095854|-0.00004446|0.00009095|0.00008111|0.00038147|-0.00042291|0.00004490|-0.00035750|-0.00078343|0.00045229|-0.00027000|0.00223196|0.00062013|-0.08271921|0.02941632|0.08861893|-0.00002795|0.00017335|0.00100749|0.01242203|-0.00450755|0.00554263|-0.22853309|0.07426314|-0.11803272|-0.00987643|-0.00187054|-0.01226979|-0.00169311|0.00050903|-0.00191677|-0.00036175|-0.00052573|0.00100289|0.00037334|-0.00004082|-0.00016521|0.00008610|-0.00005317|-0.00007750|0.00008548|0.00084290|-0.00044565|-0.00160740|-0.00108124|0.00200313|0.00019872|0.00059333|-0.00029556|0.00004832|-0.00009687|0.00008261|-0.00005746|0.00008978|-0.00012535|-0.00004773|-0.00045789|0.00005425|0.00016122|-0.00017873|0.00009497|0.00107401|0.00000822|-0.00149403|0.24266984|-0.00010789|0.00019507|0.00195868|0.01107099|-0.00419618|0.00100468|0.07748242|-0.09662093|0.05952813|-0.02258954|0.01088793|-0.01940140|-0.00244223|0.00038326|-0.00144797|-0.00066424|-0.00083024|0.00085161|0.00011550|-0.00004136|-0.00003796|0.00003343|-0.00001190|-0.00006693|0.00026267|0.00094118|-0.00105305|-0.00322411|-0.00164944|-0.00101935|0.00014945|0.00055377|-0.00059849|-0.00001501|0.00009459|0.00011008|-0.00012332|-0.00018050|-0.00006269|-0.00038671|-0.00069627|0.00022123|-0.00021613|0.00033410|-0.00008814|-0.00034049|0.00120948|-0.00094357|-0.07705511|0.09498424|0.00034463|-0.00089304|-0.00345118|-0.02226449|0.00846061|-0.00890712|-0.11946566|0.05499618|-0.15258125|-0.00744900|-0.00258552|-0.00680988|-0.00061541|0.00070338|-0.00016115|-0.00066364|-0.00028237|-0.00039506|-0.00017070|-0.00013069|0.00029618|0.00001651|0.00002338|0.00006325|0.00024693|-0.00044419|-0.00054423|-0.00217769|-0.00229060|-0.00410360|-0.00080911|0.00021632|0.00000391|0.00022195|-0.00018852|-0.00019462|0.00012709|0.00026877|0.00020634|0.00002405|0.00120754|-0.00016197|-0.00014079|0.00003630|0.00003278|0.00067160|-0.00024477|0.00217062|0.13759729|-0.05279549|0.16108593|0.00106819|0.00085798|-0.00095979|-0.00704540|0.00752845|0.00438066|-0.15830719|0.10735708|0.07797816|0.01189428|-0.02194771|-0.01595050|0.00569172|0.00006526|-0.00045526|0.00000668|0.00131207|-0.00031363|0.00010839|-0.00014253|-0.00051929|0.00000858|-0.00002566|-0.00002466|-0.00021149|-0.00010349|-0.00025250|-0.00104514|-0.00110002|0.00248213|0.00043344|0.00053183|-0.00046733|0.00010123|-0.00010683|0.00008674|-0.00020614|-0.00009790|0.00003794|0.00021207|-0.00008177|-0.00023425|0.00049031|-0.00069474|-0.00006404|0.00070108|-0.00082463|0.00222436|-0.01431229|0.01872643|0.01470434|0.16047351|-0.00013412|0.00116745|-0.00032669|-0.00987298|0.01278536|0.00738866|0.10394334|-0.17618937|-0.08591012|0.00628942|-0.02914794|-0.02104432|0.00556175|0.00503582|-0.00069896|-0.00237124|-0.00003822|-0.00022993|0.00006633|-0.00030396|0.00031796|0.00003002|-0.00000506|-0.00004116|0.00035207|0.00041482|-0.00043136|-0.00060976|-0.00301227|0.00249665|0.00030161|0.00060399|-0.00077041|0.00004860|-0.00008453|0.00009182|-0.00014050|0.00021539|-0.00027131|-0.00017260|0.00027721|-0.00002923|0.00000744|0.00032135|0.00000227|-0.00076329|-0.00055860|0.00351460|0.00923923|-0.00545412|-0.00610140|-0.11141250|0.19380658|0.00109104|-0.00136062|0.00285318|0.01765552|-0.01955866|-0.01310230|0.07360851|-0.08859024|-0.13076958|0.00383150|-0.01247055|-0.00605119|0.00118144|0.00315735|0.00061194|-0.00074878|-0.00049370|0.00069497|-0.00009682|0.00023021|-0.00027522|0.00004354|0.00004918|0.00002039|-0.00026219|-0.00010731|-0.00028325|0.00045552|0.00059459|-0.00051276|-0.00050452|-0.00026811|-0.00004749|-0.00001311|-0.00004460|-0.00002037|0.00016451|0.00065828|-0.00002209|-0.00039859|-0.00029035|0.00044811|-0.00071879|0.00092181|-0.00023395|-0.00052941|0.00063917|-0.00515098|-0.01217420|0.01413654|0.01358351|-0.08247127|0.10271731|0.13849429|-0.00012353|0.00007539|0.00007975|0.00007057|-0.00046497|0.00002806|-0.00045355|0.00132194|0.00091203|-0.00133726|0.00053058|-0.00314012|-0.04010352|-0.00676632|0.01271861|-0.25946155|-0.07010259|0.12474841|0.00524551|0.00266496|-0.00384839|0.00079961|0.00005674|-0.00017784|0.00045082|0.00091675|-0.00097794|-0.00027991|0.00047979|-0.00131061|0.00008196|-0.00017927|0.00007219|0.00001882|0.00006494|0.00005574|-0.00000535|-0.00004767|-0.00001334|0.00000927|-0.00007350|0.00004634|0.00002647|-0.00001505|-0.00000945|-0.00003461|0.00001014|0.00001109|-0.00028740|-0.00032001|-0.00010286|0.00008836|-0.00018769|-0.00016587|0.29417456|0.00012018|-0.00003177|-0.00031496|0.00047811|0.00100424|0.00019904|0.00229649|0.00045843|-0.00207845|0.00156926|0.01403128|0.00958409|0.01116420|-0.00793838|-0.00915498|-0.07315202|-0.07916965|0.05281403|-0.01561483|0.00191123|0.01040340|-0.00086428|0.00062171|-0.00048095|0.00210525|-0.00162309|0.00294250|-0.00031020|0.00133339|-0.00036838|-0.00009429|-0.00012548|0.00008952|-0.00002287|-0.00001829|0.00006682|-0.00002245|-0.00002462|0.00000378|0.00001108|0.00011109|-0.00003508|-0.00001355|0.00002077|0.00004830|-0.00001451|-0.00000943|-0.00010851|0.00014607|0.00010822|0.00003031|0.00005365|-0.00015994|-0.00013871|0.07240994|0.07043703|0.00000733|0.00003952|-0.00009835|0.00027389|0.00018081|0.00003855|0.00114373|0.00079350|-0.00067959|-0.00469269|0.00755228|0.00599180|-0.01862663|-0.01478737|0.01300239|0.12838360|0.05771624|-0.14495048|0.02499607|0.00727171|-0.00692506|0.00102246|-0.00064736|0.00079627|-0.00225586|0.00433306|-0.00436841|-0.00153300|0.00136936|-0.00080170|0.00014218|-0.00017395|0.00040895|0.00002746|-0.00005905|-0.00004579|0.00004643|-0.00001941|0.00001952|-0.00002106|0.00000996|0.00003324|0.00000982|-0.00006716|-0.00003764|0.00008575|0.00003514|0.00002219|-0.00004875|-0.00009613|-0.00000202|0.00006828|-0.00020233|-0.00019288|-0.12898086|-0.06333917|0.13898644|-0.00008672|0.00012486|-0.00001540|-0.00041171|0.00078171|0.00010786|-0.00009350|0.00006874|0.00005186|0.00029335|0.00025154|-0.00017841|-0.00046046|-0.00006906|-0.00043367|0.00078294|-0.00149483|0.00113790|-0.01708841|0.01700558|0.02928714|-0.10306205|0.05955234|0.08731567|-0.00277262|0.00266345|-0.00298095|-0.00097267|-0.00311939|-0.00070822|0.00021559|-0.00024977|-0.00018141|-0.00002207|0.00001640|0.00004474|-0.00002089|-0.00005465|-0.00001314|0.00003007|-0.00000169|-0.00000173|0.00003995|0.00003216|0.00003055|-0.00024695|-0.00016330|-0.00020091|0.00001933|-0.00001118|-0.00007741|0.00001720|-0.00004059|-0.00006827|0.00033757|0.00042705|-0.00047523|0.11273226|-0.00003924|-0.00000199|0.00006142|0.00002784|-0.00023900|-0.00004277|0.00007618|0.00006668|0.00007408|-0.00034841|-0.00023162|0.00008384|-0.00014275|0.00020566|0.00014186|0.00068921|0.00062116|-0.00070896|0.00372469|-0.00351789|-0.00739213|0.05908051|-0.13021647|-0.10658406|0.00022875|-0.00053254|0.00128396|0.00007085|0.00068310|-0.00043456|0.00011899|-0.00001608|0.00019888|0.00004201|-0.00000099|-0.00006585|0.00003792|0.00001281|0.00000274|-0.00000135|-0.00001539|-0.00000161|0.00000998|-0.00005101|-0.00003346|0.00007848|0.00002858|0.00007376|-0.00000765|-0.00001724|0.00002159|-0.00000028|-0.00000330|-0.00000409|-0.00013233|-0.00050175|0.00042335|-0.06582580|0.13440288|0.00005788|0.00001852|-0.00001585|-0.00013051|0.00010686|-0.00013297|-0.00015957|-0.00014469|-0.00002581|-0.00004540|0.00019697|0.00004550|0.00038934|-0.00051956|0.00073746|0.00022182|0.00057661|-0.00034450|-0.00345137|0.00679850|0.01163275|0.08648100|-0.10633681|-0.22350178|-0.00070128|-0.00008642|-0.00027108|-0.00014314|-0.00078180|-0.00012376|0.00004621|-0.00001634|-0.00004119|0.00001156|0.00000039|0.00002136|-0.00000878|0.00000776|0.00000829|-0.00001200|0.00000307|0.00000968|-0.00001601|0.00001207|0.00000968|-0.00003678|0.00000253|-0.00005046|0.00002866|0.00002289|0.00000695|0.00000526|0.00001999|0.00001602|0.00001750|-0.00013803|0.00004577|-0.09568086|0.11965647|0.23844789|-0.00002739|0.00002474|-0.00000369|0.00004036|-0.00001584|-0.00003320|0.00006529|0.00004913|0.00006335|0.00051496|0.00004815|0.00004340|-0.00040627|0.00095964|-0.00245069|-0.00729737|0.00107952|0.00094255|0.00256660|0.02273152|-0.03076735|-0.05959057|-0.00543450|0.00776050|0.00225887|-0.00003009|-0.00071668|0.00023201|-0.00001531|-0.00000106|-0.00000171|0.00002549|-0.00002799|-0.00000960|-0.00000458|0.00000907|0.00000932|-0.00001029|0.00000838|-0.00001686|-0.00001345|0.00002307|-0.00000801|0.00000389|-0.00002213|-0.00000074|-0.00000296|0.00001533|-0.00000732|-0.00000519|-0.00000720|0.00000436|-0.00000261|-0.00000269|0.00016685|0.00008158|-0.00022388|-0.00045100|-0.01045993|0.01117221|0.06234873|-0.00001678|-0.00000104|0.00002732|-0.00002171|-0.00000318|-0.00000612|-0.00007612|-0.00005028|-0.00008412|0.00003015|0.00021768|-0.00034431|-0.00023886|-0.00052017|0.00093098|0.00265696|0.00109789|0.00008037|-0.00168210|-0.00695097|0.00842468|-0.00242391|-0.16208301|0.13937048|-0.00138164|0.00047849|-0.00043418|0.00010802|-0.00006743|-0.00016771|0.00007949|-0.00004545|0.00014254|0.00001559|-0.00002622|-0.00004951|0.00001661|0.00000755|-0.00000191|0.00000634|0.00000914|-0.00001731|0.00001354|-0.00001761|-0.00001056|0.00002522|0.00000438|-0.00000084|0.00001660|0.00000032|0.00001379|-0.00000158|0.00001002|0.00000109|-0.00011511|-0.00005042|-0.00026919|-0.00056967|0.01440061|-0.01592490|0.00290310|0.16933484|-0.00006894|0.00004228|0.00001355|-0.00001570|0.00008283|-0.00001443|0.00010856|0.00006460|0.00012076|-0.00008324|-0.00015651|0.00030340|0.00016235|0.00012657|-0.00068051|-0.00163804|0.00087778|0.00121879|0.00117891|0.00384997|-0.00619537|0.00394470|0.14000884|-0.24746541|0.00143648|-0.00088192|0.00043714|-0.00026268|-0.00018448|0.00004527|-0.00002781|-0.00000425|-0.00008269|-0.00002187|0.00000848|0.00001885|0.00001210|-0.00002550|-0.00000100|-0.00001058|-0.00001241|0.00002971|0.00000300|0.00000837|-0.00003868|-0.00003781|-0.00003762|0.00000092|-0.00001850|-0.00000471|-0.00001616|0.00000836|-0.00000248|-0.00001476|0.00005007|-0.00030972|0.00016679|0.00028805|0.01736980|-0.02123717|-0.00564322|-0.15543325|0.26381581|0.00003329|-0.00007386|-0.00012081|0.00027261|-0.00000874|0.00015449|0.00000201|-0.00000147|-0.00007376|0.00067620|0.00019895|-0.00024109|-0.00077551|-0.00010493|-0.00007750|0.00115800|-0.00023258|0.00192035|-0.02361295|-0.02875594|-0.00510649|-0.15227722|-0.13019100|-0.03494857|-0.00265205|0.00260181|-0.00323302|0.00025811|0.00166678|0.00295573|-0.00095001|0.00032238|-0.00088453|-0.00007422|0.00016635|0.00034107|-0.00006512|-0.00002542|-0.00000699|0.00001112|0.00002101|-0.00000010|-0.00004004|0.00007271|0.00005415|-0.00006295|-0.00001217|-0.00002612|-0.00003874|0.00000690|-0.00002262|-0.00000789|0.00002122|0.00002193|0.00028063|0.00024987|-0.00074710|0.01102253|0.01278538|0.00209923|0.00011829|0.00029243|0.00095074|0.16689793|0.00003587|0.00002050|0.00002723|-0.00017208|0.00004439|-0.00001563|0.00007069|-0.00001807|0.00003085|-0.00001633|-0.00014976|0.00004681|0.00010547|0.00054868|-0.00073016|-0.00079321|-0.00000883|0.00036074|0.00868396|0.01471455|0.00327846|-0.12916093|-0.23341285|-0.04287743|0.00092360|-0.00026957|0.00030770|0.00000676|-0.00076903|-0.00088774|0.00029398|-0.00016991|0.00023425|0.00002893|-0.00004616|-0.00008748|-0.00000157|0.00000860|-0.00000561|0.00000326|-0.00000671|0.00000106|0.00001571|-0.00000787|0.00000515|-0.00002449|-0.00000329|-0.00000759|-0.00001308|0.00000739|0.00000459|-0.00000470|0.00000572|-0.00000659|-0.00011976|0.00002143|-0.00019066|-0.01055998|-0.01514508|-0.00340356|-0.01150284|-0.01633570|-0.00514392|0.14205898|0.25070260|0.00002837|-0.00001355|-0.00004166|0.00004125|0.00008181|0.00001267|-0.00007493|-0.00008904|-0.00009077|0.00023894|0.00024156|-0.00014532|0.00019062|-0.00029000|0.00029780|-0.00046559|-0.00010902|0.00054778|-0.00409574|-0.00667867|-0.00067873|-0.03461887|-0.04326287|-0.07036570|0.00015063|0.00050419|-0.00058270|0.00007935|-0.00013987|0.00053560|-0.00021708|0.00013100|-0.00023756|-0.00005218|-0.00000433|0.00007748|-0.00001886|-0.00000760|0.00000155|-0.00000980|0.00001513|0.00000595|-0.00001780|0.00002978|0.00000353|-0.00002708|-0.00000514|-0.00002621|0.00000522|0.00001633|-0.00000652|-0.00000015|0.00001774|0.00002867|0.00007292|0.00016193|-0.00047109|-0.01815666|-0.02402001|-0.00549566|0.01909577|0.02424577|0.00877787|0.03785879|0.04902642|0.06756348|-0.00025494|-0.00020858|-0.00043683|0.00146573|-0.00034181|0.00046793|0.00049295|0.00114199|-0.00006815|-0.00593783|0.00430725|-0.00281331|-0.00053013|-0.00224539|0.00060998|-0.00522443|0.00141212|0.00275683|0.00693006|-0.01841061|0.02596304|0.00152971|-0.00206715|0.00026621|-0.07075397|0.01345125|-0.01122302|0.00729224|0.01619805|-0.02360407|0.00035370|-0.00085053|-0.00071755|-0.00000317|0.00011692|0.00046632|0.00009800|-0.00006115|0.00021436|-0.00034507|-0.00049128|0.00015399|-0.00005246|-0.00025932|-0.00013989|-0.00002381|-0.00001209|0.00006143|-0.00027317|-0.00035042|-0.00002134|-0.00003619|-0.00013075|-0.00004481|0.00042384|-0.00102365|0.00143874|0.00020112|0.00002439|-0.00010671|-0.00050120|0.00034710|-0.00032991|-0.00021216|0.00018551|-0.00006029|0.06569225|-0.00006354|-0.00016100|-0.00023127|0.00075906|0.00026233|-0.00003717|-0.00053501|-0.00045580|-0.00080428|0.00514097|0.00071234|0.00027432|-0.00309729|-0.00361638|-0.00134172|0.00033045|0.00949195|0.00670630|0.00270067|0.00283689|0.00964408|0.00011480|-0.00556676|-0.00488688|0.00952519|-0.16685943|0.15686689|-0.00317817|-0.00187254|0.01037041|-0.00066804|0.00061364|0.00042456|-0.00004109|-0.00005811|-0.00039353|-0.00003064|0.00019384|-0.00006707|-0.00005024|0.00005077|-0.00021677|-0.00034908|-0.00010882|-0.00012729|0.00024045|0.00008136|0.00011941|0.00011463|0.00018305|0.00014809|0.00000769|0.00014073|0.00005013|-0.00001746|-0.00049585|0.00011961|0.00118587|0.00010457|-0.00006742|-0.00040145|0.00057987|-0.00024236|-0.00115136|0.00028936|0.00012115|-0.01104274|0.16374763|-0.00024047|0.00036513|-0.00005121|0.00043669|0.00040310|0.00027571|0.00019380|0.00050119|-0.00023331|-0.00034624|0.00162131|0.00171487|-0.00232225|-0.00326822|-0.00144128|0.00541083|0.00640507|0.00654240|-0.00296795|0.01543508|-0.00927033|-0.00187577|-0.00462500|-0.00287014|-0.00625386|0.15591459|-0.25165316|0.00115389|0.00417275|-0.00352063|-0.00051565|0.00021636|-0.00080550|-0.00011712|0.00026286|0.00035991|0.00033794|-0.00025933|0.00014764|-0.00017841|-0.00004643|0.00037131|0.00011550|-0.00035461|-0.00048831|-0.00005344|-0.00016974|0.00002294|-0.00009950|-0.00010930|0.00000669|0.00000260|-0.00002784|-0.00003793|-0.00022573|0.00008078|-0.00107858|0.00090557|-0.00011891|0.00026391|0.00073352|-0.00043565|0.00076077|-0.00087471|0.00000860|0.00032916|0.00659833|-0.17577127|0.26015118|0.00008943|-0.00003631|0.00007404|0.00010690|0.00053029|0.00068271|0.00017793|0.00006488|0.00080877|0.00059175|0.00207652|0.00131771|0.00046030|-0.00001425|-0.00026779|-0.00010214|-0.00022002|0.00004533|-0.00005287|0.00004218|-0.00013322|0.00002349|0.00011748|0.00002943|0.00055224|-0.00107887|-0.00005185|0.00270992|-0.00453271|0.00804281|-0.05248444|-0.00253278|0.02160270|0.00831482|0.00424955|-0.00737181|-0.00001233|0.00005247|-0.00001618|0.00003716|-0.00002684|-0.00001717|-0.00003632|0.00004171|0.00003493|-0.00017136|-0.00000374|-0.00008313|0.00007160|0.00008693|0.00009375|0.00001012|0.00007821|0.00010720|-0.00004190|0.00004225|-0.00002799|0.00001372|-0.00002386|-0.00001546|-0.00000909|0.00002188|0.00000509|0.00003169|-0.00002424|0.00003935|-0.00028718|0.00042926|0.00008785|0.03610078|-0.00000464|-0.00004043|-0.00012961|-0.00031333|0.00062376|0.00131512|0.00013860|0.00061146|-0.00018939|0.00225683|-0.00190285|-0.00370859|-0.00036473|-0.00040066|-0.00074306|0.00006854|0.00015826|-0.00010339|-0.00007864|0.00001281|0.00005662|-0.00003309|-0.00012337|-0.00000393|-0.00030632|0.00057328|0.00072898|0.00198747|0.01228376|-0.01886361|-0.00200040|-0.11130101|0.10076794|-0.00202687|-0.01006921|0.03740871|0.00000277|-0.00001877|0.00002437|-0.00002873|-0.00011090|0.00001505|-0.00000614|0.00001600|0.00001444|-0.00037869|-0.00004096|0.00017061|-0.00016134|-0.00017680|-0.00004830|-0.00005618|-0.00012554|0.00009312|0.00006281|0.00002856|0.00007493|-0.00000034|0.00001200|-0.00001040|0.00000361|0.00001365|-0.00000118|-0.00004732|0.00001877|-0.00001941|0.00038486|-0.00026411|-0.00021067|-0.00141893|0.11494843|-0.00020688|-0.00002636|-0.00044363|0.00019888|-0.00019482|0.00040252|0.00030079|0.00081844|-0.00049994|0.00185062|-0.00245057|-0.00301330|-0.00065531|-0.00117126|-0.00044894|0.00001829|0.00044835|-0.00030130|0.00033200|-0.00020142|0.00041084|-0.00006593|-0.00002454|0.00001120|-0.00075214|0.00049174|0.00034858|0.00048493|0.01422040|-0.01662395|0.02225372|0.10563399|-0.31793308|0.00156416|-0.00058138|-0.00068030|-0.00000117|-0.00012975|0.00010358|-0.00002449|-0.00027878|0.00018602|-0.00001431|0.00002978|0.00006938|-0.00057033|-0.00014544|-0.00012905|-0.00016830|-0.00018187|-0.00010798|-0.00014661|-0.00036380|-0.00000757|0.00012023|0.00003595|0.00012516|-0.00000266|0.00001904|-0.00000134|0.00002461|-0.00004244|0.00002337|0.00001331|0.00002586|-0.00004101|0.00062246|-0.00066528|0.00045412|-0.02524399|-0.11615706|0.33548906|-0.00027106|-0.00009872|-0.00021654|0.00074566|-0.00110299|-0.00075283|0.00025686|-0.00025579|0.00003641|-0.00128992|0.00040932|0.00034448|-0.00004935|0.00015394|0.00032693|-0.00029453|0.00025515|-0.00018347|-0.00022495|0.00016223|-0.00000198|-0.00005539|-0.00015590|-0.00002482|-0.00013157|0.00076209|0.00062974|-0.00744668|-0.00217640|-0.00168365|0.00840994|0.00394433|-0.00714669|-0.05015151|-0.00288455|0.02163109|0.00000200|-0.00010369|0.00002509|0.00001511|-0.00002502|0.00001891|-0.00001110|0.00004252|0.00001215|-0.00009843|-0.00012210|0.00005711|-0.00001267|-0.00000281|-0.00019377|-0.00009499|-0.00010699|0.00002840|-0.00001957|-0.00005377|-0.00000485|0.00000255|0.00000893|-0.00001533|0.00000032|0.00000077|0.00000465|-0.00008718|0.00002589|-0.00002158|-0.00007561|0.00004322|0.00000245|0.01263769|0.00481043|0.00198513|0.03485942|-0.00008094|-0.00005125|-0.00003439|0.00018694|-0.00034441|-0.00009159|-0.00066048|-0.00049546|-0.00008704|-0.00043096|0.00070385|0.00007903|0.00119481|0.00061687|-0.00072971|-0.00032060|-0.00026792|0.00004577|0.00003428|-0.00012538|0.00004113|0.00004380|0.00000787|-0.00004076|-0.00002551|0.00035149|0.00004659|-0.00248461|0.00021883|0.00099953|-0.00225094|-0.00809834|0.03485255|-0.00146407|-0.12101760|0.11502116|0.00000624|-0.00002628|-0.00000801|0.00001146|0.00007772|-0.00005560|0.00000823|-0.00000162|-0.00001444|0.00004931|-0.00005465|0.00007620|0.00008778|0.00001613|-0.00006423|0.00011409|0.00027051|0.00009335|-0.00007855|0.00002659|-0.00003718|0.00001455|-0.00001437|0.00000495|-0.00001534|0.00002125|-0.00001577|-0.00000478|-0.00000847|0.00001493|-0.00015546|0.00019302|-0.00008354|0.00458820|-0.00539467|0.00096977|0.00050809|0.12107528|-0.00000096|-0.00001636|-0.00005111|0.00009016|-0.00006123|-0.00011863|-0.00002763|-0.00026486|0.00012303|0.00094351|-0.00284759|-0.00045119|0.00007122|-0.00006470|-0.00001720|-0.00008842|0.00005970|0.00009476|-0.00002682|0.00003980|-0.00008718|0.00000834|-0.00002485|-0.00001013|-0.00010184|0.00047374|0.00000201|-0.00104876|-0.00111902|-0.00196489|0.00007354|0.00370858|0.00108235|0.02025610|0.12200392|-0.32902596|0.00000541|-0.00000483|0.00001291|0.00000041|-0.00000733|0.00000055|0.00000184|-0.00000983|0.00000248|0.00002298|0.00002378|0.00000195|-0.00003161|0.00006052|-0.00002096|-0.00003932|0.00001664|0.00000309|-0.00001891|0.00001534|0.00001652|-0.00000122|-0.00000287|0.00000119|-0.00000095|0.00000011|-0.00000183|-0.00003332|0.00000002|-0.00000041|-0.00007088|0.00003804|0.00002355|0.00199857|0.00044246|0.00135304|-0.02294515|-0.13270590|0.34472798|0.00041653|0.00010153|0.00045920|-0.00136202|0.00180953|0.00160480|0.00044831|0.00031203|0.00018053|0.00010251|-0.00042076|-0.00015462|0.00013194|0.00005365|-0.00019312|-0.00004390|-0.00033546|0.00013355|0.00023475|-0.00029460|0.00005789|0.00008878|0.00034002|0.00011567|0.00066283|-0.00160082|-0.00187588|0.01391394|0.00400153|0.00121181|0.00275843|0.00473017|0.00681648|-0.07042643|0.05520859|0.07016014|-0.00000488|0.00020826|-0.00006157|-0.00000932|-0.00000575|-0.00004188|-0.00003583|0.00002996|0.00000930|-0.00018680|0.00003566|-0.00009754|-0.00007349|-0.00008032|0.00013356|-0.00004282|0.00000639|0.00001024|-0.00002670|0.00003145|-0.00000783|-0.00001914|-0.00002251|-0.00000750|0.00000117|-0.00000632|0.00000524|0.00009364|-0.00004538|0.00003537|0.00003173|0.00003384|0.00009215|-0.00873191|-0.00249025|-0.00191701|0.00338494|0.00112445|0.00096372|0.05869373|-0.00014777|0.00001955|-0.00010532|0.00040258|0.00003677|0.00009628|-0.00003065|0.00013804|0.00011085|-0.00061864|0.00137646|0.00051729|0.00043709|0.00021306|-0.00041116|-0.00020149|-0.00033202|0.00010098|0.00035328|-0.00030307|0.00023725|0.00005373|0.00029177|0.00001249|0.00012096|-0.00076685|-0.00160987|0.00340055|-0.00309929|0.00494457|0.01097249|-0.01714050|-0.03079319|0.05435542|-0.16894425|-0.13196445|-0.00001849|-0.00009086|0.00000779|0.00001139|-0.00001330|0.00003035|0.00001258|0.00001932|0.00001287|-0.00013489|0.00002349|-0.00001457|-0.00003434|-0.00002371|-0.00006175|0.00004600|0.00002794|-0.00000859|0.00002629|0.00003472|-0.00003049|0.00003599|-0.00003334|0.00000234|0.00000399|-0.00002422|0.00001658|0.00014478|-0.00003068|0.00003178|0.00008148|-0.00002255|0.00009369|-0.00250927|0.00066854|-0.00007855|-0.00403819|0.01232103|0.01024668|-0.06272488|0.17565396|0.00007126|0.00003470|0.00007137|-0.00021433|0.00034947|0.00027235|0.00036825|0.00021099|0.00009688|0.00065985|-0.00154925|-0.00030416|-0.00059977|-0.00027218|0.00024993|0.00009036|0.00005388|0.00010123|-0.00004418|0.00006120|-0.00011341|-0.00002465|0.00003279|0.00002606|0.00013766|-0.00029672|-0.00016712|0.00196486|0.00260326|-0.00003617|-0.00265883|0.00753133|0.00934779|0.07158977|-0.13800711|-0.25363410|-0.00000285|0.00002102|-0.00002116|0.00000521|-0.00001013|0.00001066|-0.00000185|0.00000168|0.00000193|-0.00001751|0.00001300|-0.00001430|-0.00005569|-0.00000364|0.00000754|-0.00008022|-0.00013234|-0.00003186|0.00003899|-0.00000885|-0.00000200|0.00000682|-0.00000152|-0.00000488|0.00000900|-0.00001514|0.00001503|0.00002695|-0.00000138|0.00000179|0.00001713|-0.00003068|0.00002623|-0.00174166|-0.00092372|0.00125453|0.00808812|-0.01827679|-0.01569595|-0.07763269|0.14861614|0.25854174|
162.11570
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
71.8265 87.3054 123.1822 157.8060 182.1223 229.7758 241.4220 282.1271 304.6511 338.9371 405.5984 436.9150 493.9232 501.4576 543.7824 595.1463 651.1895 723.7197 734.2176 747.3239 850.4591 922.5229 962.8482 990.2161 1008.1388 1036.4461 1061.3522 1089.5946 1094.4190 1127.7283 1137.0467 1140.0630 1179.1502 1204.6845 1219.5354 1231.3872 1266.6790 1274.0747 1307.6585 1336.3650 1371.8192 1416.5856 1439.1662 1453.6572 1480.1895 1517.6986 1530.8891 1566.6667 1569.7715 1577.0118 1624.7197 1637.8035 1640.9982 1643.6781 1672.8848 1851.6644 1870.4738 1911.8724 3196.6177 3198.1006 3206.9150 3245.7848 3249.1221 3256.3860 3267.8118 3279.2917 3285.5752 3307.3810 3344.1560 3344.9312 3348.1724 3428.5515
2.7282 3.2843 2.9097 2.2985 1.2038 1.9235 1.5066 1.9089 2.4021 2.7376 2.7265 2.7846 3.1854 4.2028 3.5962 3.8754 3.1446 2.7432 2.8280 3.2342 3.8776 2.4455 1.3999 2.2988 1.2905 1.5686 1.5984 1.3445 1.7807 2.2997 1.3505 1.3546 1.5280 2.5946 2.8095 2.0346 1.7555 3.4012 1.6180 3.3914 3.1967 1.4924 1.3216 1.4864 1.6401 1.5195 1.6282 1.3122 1.2973 1.2341 1.0446 1.0581 1.0464 1.0500 1.1085 9.7949 4.5715 7.3525 1.0385 1.0382 1.0632 1.1020 1.0911 1.1026 1.1026 1.1000 1.1013 1.0830 1.0717 1.0911 1.0917 1.1157
0.0083 0.0147 0.0260 0.0337 0.0235 0.0598 0.0517 0.0895 0.1314 0.1853 0.2643 0.3132 0.4579 0.6227 0.6265 0.8087 0.7856 0.8465 0.8982 1.0642 1.6524 1.2262 0.7647 1.3281 0.7728 0.9928 1.0609 0.9405 1.2566 1.7231 1.0287 1.0373 1.2517 2.2186 2.4619 1.8177 1.6595 3.2529 1.6301 3.5684 3.5445 1.7645 1.6127 1.8505 2.1171 2.0622 2.2482 1.8976 1.8834 1.8082 1.6246 1.6722 1.6602 1.6714 1.8277 19.7868 9.4236 15.8345 6.2523 6.2563 6.4423 6.8403 6.7863 6.8886 6.9369 6.9697 7.0045 6.9798 7.0614 7.1928 7.2106 7.7271
1.0246 0.4167 0.8201 1.2249 0.4019 0.1828 1.4560 2.4505 0.1960 0.2414 0.5677 1.6434 0.4763 3.0971 8.9847 2.2916 7.9489 9.6230 4.7260 14.5789 4.2878 0.4222 25.1349 5.6479 5.9513 9.2823 13.7541 40.2609 4.0923 16.4893 3.1497 17.7740 2.0389 9.1237 5.5240 4.8904 10.8032 31.0375 2.6539 6.4325 4.3538 5.0887 1.4624 1.5154 16.9256 2.4495 1.1572 3.7926 1.6990 4.8618 5.5791 6.6855 4.1842 1.9398 10.0418 6.9563 3.4270 3.1573 39.1431 26.9152 59.8722 29.7507 1.9222 39.7217 23.0386 105.0561 21.9666 16.3772 16.5190 45.5933 11.4651 10.9541
0.4089 7.0813 3.3581 3.7349 0.1924 2.4993 2.0981 1.9620 2.6364 0.3555 3.4862 4.4328 2.2101 2.9195 2.2838 3.0551 2.1187 1.7601 12.1889 5.5718 1.8095 7.4922 2.7449 12.3637 1.9591 3.8182 4.6942 1.0336 5.4944 6.8341 3.0307 5.1062 1.6891 13.5463 4.4139 4.4082 4.8039 7.1102 5.7808 1.0223 4.3246 6.3463 20.1311 2.3358 1.6496 2.3512 11.0007 0.6449 12.5012 16.4860 17.8598 25.8216 21.7094 10.3133 10.3830 50.7487 46.7059 15.4524 146.7112 76.0345 117.7188 97.2807 94.9909 90.1794 51.0374 94.7481 58.1752 41.1228 109.2733 89.5277 142.5683 55.8864
0.6899 0.7499 0.7068 0.7448 0.7300 0.6801 0.7457 0.4977 0.5796 0.6937 0.5413 0.1781 0.6770 0.5184 0.0440 0.4011 0.6031 0.4379 0.0744 0.3742 0.7073 0.6867 0.6033 0.4911 0.6076 0.6405 0.6993 0.7471 0.6489 0.6692 0.5309 0.5082 0.7500 0.5923 0.6758 0.7310 0.5886 0.4701 0.4447 0.7035 0.5734 0.6619 0.2717 0.7464 0.4824 0.7412 0.7402 0.5705 0.5851 0.3951 0.7500 0.6765 0.7084 0.7415 0.6967 0.1000 0.1633 0.5623 0.0492 0.0726 0.0616 0.7496 0.5874 0.6947 0.6641 0.2700 0.7409 0.6159 0.1883 0.5392 0.1515 0.6920
0.8165 0.8571 0.8282 0.8537 0.8439 0.8096 0.8543 0.6647 0.7339 0.8192 0.7024 0.3024 0.8074 0.6828 0.0844 0.5725 0.7524 0.6091 0.1386 0.5447 0.8285 0.8142 0.7526 0.6587 0.7559 0.7809 0.8230 0.8553 0.7871 0.8018 0.6936 0.6739 0.8571 0.7440 0.8066 0.8446 0.7410 0.6395 0.6157 0.8259 0.7289 0.7965 0.4274 0.8548 0.6508 0.8514 0.8507 0.7265 0.7383 0.5664 0.8571 0.8070 0.8293 0.8515 0.8212 0.1817 0.2808 0.7198 0.0938 0.1353 0.1161 0.8569 0.7401 0.8198 0.7981 0.4252 0.8512 0.7623 0.3170 0.7006 0.2631 0.8180
298.150
1.00000
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26
6 6 6 7 7 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783
1488.89744 2102.42483 2341.63597
0.99990 0.00309 0.01382 -0.00309 1.00000 -0.00024 -0.01382 0.00020 0.99990
1
0.05817 0.04120 0.03699
1.21213 0.85841 0.77072
103.34 125.61 177.23 227.05 262.03 330.60 347.35 405.92 438.32 487.65 583.57 628.62 710.65 721.49 782.38 856.28 936.92 1041.27 1056.38 1075.23 1223.62 1327.30 1385.32 1424.70 1450.49 1491.21 1527.05 1567.68 1574.62 1622.55 1635.96 1640.30 1696.53 1733.27 1754.64 1771.69 1822.47 1833.11 1881.43 1922.73 1973.74 2038.15 2070.64 2091.49 2129.66 2183.63 2202.61 2254.08 2258.55 2268.97 2337.61 2356.43 2361.03 2364.89 2406.91 2664.13 2691.19 2750.76 4599.22 4601.35 4614.04 4669.96 4674.76 4685.21 4701.65 4718.17 4727.21 4758.58 4811.49 4812.61 4817.27 4932.92
0.239274
0.250219
0.251163
0.202768
-495.375293
-495.364348
-495.363404
-495.411799
1.623176D-04
MUNgauss
RevisionA2.1
retrievium
21-Dec-2022
GDB_13 Smiles: CC1CN2N=CC(C)=CC12C=C
RHF
6-31G(d)
(6D,10F)
C1
162.115699
|X|Y|Z|
30.278554 23.909132 20.476544
24.565100
8
|36.858105|
|12.533761|36.858105|
|7.266294|12.334756|36.858105|
|5.585150|9.022588|13.049469|53.358707|
|4.319223|5.694909|7.870626|18.747001|53.358707|
|4.095678|4.932909|5.821921|11.476075|20.596681|36.858105|
|4.684297|5.271500|5.279115|9.387960|10.636753|12.866741|36.858105|
|3.723033|3.839320|3.801418|6.095342|6.941217|7.474876|12.656435|36.858105|
|6.274292|7.267228|6.092397|10.482461|9.116722|7.914635|14.405366|7.608460|36.858105|
|7.136463|12.175931|8.925564|17.631942|10.321441|6.858458|7.776225|4.913318|12.645291|36.858105|
|5.137334|7.347099|5.673395|10.360915|7.414973|5.083034|5.623357|4.075984|7.758201|12.609351|36.858105|
|3.934084|5.397328|4.847146|8.975957|6.959697|4.574893|4.561349|3.483749|5.390268|7.575658|14.460645|36.858105|
|17.539599|8.850289|6.457813|6.384921|5.110550|3.488845|3.786526|3.133915|4.669107|5.331328|4.162054|3.398447|0.500000|
|17.535787|8.793530|5.373510|6.330095|5.041658|3.623623|4.295350|3.554177|5.871007|6.293489|5.128955|3.861198|0.302063|0.500000|
|17.555592|8.781424|6.680664|7.322918|6.118837|4.476926|5.322786|4.300176|6.848737|6.557501|4.578366|3.572314|0.301556|0.301139|0.500000|
|8.876983|17.589933|8.725112|9.628821|6.396533|4.046324|4.214545|3.229550|5.511749|8.731541|7.299353|5.692905|0.212865|0.212247|0.173050|0.500000|
|5.707033|8.428198|17.586613|12.071211|8.545778|4.656950|4.122798|3.154433|4.572912|6.324786|4.795541|4.439290|0.156673|0.124446|0.142099|0.215110|0.500000|
|7.007443|8.641205|17.527504|12.176691|10.095112|5.945120|5.379654|3.998892|5.783656|6.886966|4.557617|3.921063|0.178872|0.140857|0.206093|0.173753|0.299275|0.500000|
|3.377612|3.879857|4.550675|8.025998|13.065715|17.675032|8.638271|7.034586|5.663466|4.944829|4.016747|3.785050|0.082509|0.084438|0.102844|0.091826|0.107632|0.132844|0.500000|
|3.515621|3.534532|3.638913|5.556607|6.516823|6.771829|8.854212|17.529125|5.923105|4.225003|3.457268|3.021268|0.084364|0.091367|0.115469|0.082620|0.084902|0.110946|0.194433|0.500000|
|3.775283|3.712569|3.481840|5.366044|5.682122|5.491148|8.863628|17.585355|7.195772|4.594736|3.940540|3.296544|0.087675|0.103981|0.121557|0.087713|0.080902|0.100797|0.140467|0.301029|0.500000|
|3.147453|3.324443|3.330431|5.455540|6.348135|6.680468|8.875304|17.528794|5.934039|4.266900|3.795487|3.392215|0.075167|0.084485|0.097216|0.080223|0.079016|0.095061|0.192720|0.302436|0.301253|0.500000|
|6.307335|6.270753|4.889366|7.516835|6.617889|5.587852|9.085031|6.912270|17.680666|8.533441|6.652614|4.666241|0.129079|0.183010|0.192304|0.139887|0.107300|0.131429|0.123502|0.150699|0.215967|0.150804|0.500000|
|5.014786|6.268914|4.610457|7.494312|5.841323|4.224911|4.974068|3.877818|6.970003|8.679905|17.633479|9.166397|0.112532|0.151594|0.123377|0.177709|0.110390|0.108391|0.096302|0.090913|0.109423|0.100255|0.194602|0.500000|
|3.682759|5.114412|5.164242|10.138328|8.065214|4.918358|4.465411|3.389075|4.923135|6.876818|9.119230|17.737491|0.090381|0.096752|0.094449|0.146624|0.135879|0.114757|0.113866|0.083373|0.086571|0.092373|0.114393|0.173827|0.500000|
|3.360205|4.293184|3.839144|6.541095|5.450018|3.716353|3.769638|3.056932|4.339527|5.457174|9.126672|17.709900|0.082416|0.094311|0.085060|0.128833|0.100542|0.089510|0.089084|0.074100|0.081936|0.084267|0.110601|0.219498|0.287975|0.500000|
495.239203
-2589.851818
952.026557
-70.202001
-1212.788060
717.173492
-495.614567
2.000758
BD141FFFFFFFFFFC
419602262BFFFFFD
413001901FFFFFFE
40A7760000000001
C022000000000000
413B555C00000001