Gaussian 16 GINC-DOBBY STEFANO Title Card Required ES64L-G16RevC.02 18-Sep-2024 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 71 71 (6D, 7F) 6-31+G(d,p) UwB97XD 6-31+G(d,p) Force #p uwb97xd/6-31+g(d,p) force scrf=(CPCM,solvent=chloroform)nosymm scf=xqc Guess=mix 442.3618999999997 2 3 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;15;17;20;23;25;28;32;33;34;35;36;37;43;45;47;48;49;50;52;54;58;59;60;63;13;30;70;16;9;10;11;12;14;18;19;21;22;24;26;27;29;31;38;39;40;41;42;44;46;51;53;55;56;57;61;62;64;65;66;67;68;69;71/rA:71nC0C0C0C0C0C0C0C0H0H0H0H0N0H0C0O0C0H0H0C0H0H0C0H0C0H0H0C0H0N0H0C0C0C0C0C0C0H0H0H0H0H0C0H0C0H0C0C0C0C0H0C0H0C0H0H0H0C0C0C0H0H0C0H0H0H0H0H0H0N0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.6703,-2.127,-.6118;-.4509,-1.9006,-1.4678;-.6066,-.6313,-2.0711;.3387,.3405,-1.8329;1.45,.0828,-.9975;1.6329,-1.138,-.3753;-.5779,-4.0993,-.5903;-1.2151,-3.0971,-1.5057;-1.4454,-.3863,-2.7112;.2316,1.317,-2.2908;2.1815,.8684,-.8393;2.4812,-1.3336,.2645;.6112,-3.4076,-.1163;-.2759,-4.9908,-1.1549;1.4628,-4.0196,.8053;2.4751,-3.4773,1.2031;.9605,-5.3734,1.2346;1.1091,-6.0768,.4066;1.5807,-5.7113,2.0648;-.5215,-5.318,1.6471;-.5894,-4.8033,2.6094;-.88,-6.336,1.8117;-1.4546,-4.5929,.6311;-2.1548,-5.3153,.1999;-2.2158,-3.4885,1.2689;-1.7109,-2.7872,1.9262;-3.2346,-3.2669,.968;-2.4019,-3.3988,-2.1647;-2.8781,-4.356,-1.9716;-3.047,-2.5974,-3.0027;-2.6616,-1.6836,-3.2099;-2.9674,-.1346,-5.1365;-4.1863,-.5424,-4.5834;-4.948,.3797,-3.8573;-4.4907,1.6814,-3.6794;-3.2653,2.0753,-4.2171;-2.5052,1.1675,-4.948;-2.3744,-.8344,-5.7189;-5.9008,.0976,-3.4205;-5.0918,2.3877,-3.1179;-2.9106,3.0902,-4.0725;-1.5566,1.4675,-5.38;-4.5995,-1.9904,-4.7573;-3.9731,-2.4352,-5.5359;-4.4081,-2.849,-3.4621;-4.4576,-3.903,-3.751;-5.4333,-2.6146,-2.3613;-6.561,-3.4394,-2.2993;-5.2661,-1.6159,-1.3969;-7.5316,-3.2406,-1.3189;-6.6713,-4.2666,-2.995;-6.2307,-1.4235,-.4131;-4.3803,-.9886,-1.4021;-7.3698,-2.2273,-.3778;-8.3999,-3.8894,-1.2816;-6.0895,-.6462,.3309;-8.119,-2.0749,.3918;-6.3301,-1.1513,-6.4039;-6.3768,-3.517,-5.7751;-7.3246,-1.9039,-7.2683;-5.3952,-.9712,-6.937;-6.69,-.2155,-5.9816;-6.7762,-3.329,-7.2351;-7.2135,-3.8663,-5.1714;-5.5272,-4.183,-5.6353;-8.3298,-1.857,-6.8387;-7.3612,-1.4817,-8.2733;-7.5057,-4.0815,-7.5359;-5.9027,-3.4183,-7.8866;-6.0109,-2.1178,-5.267;-6.6405,-1.905,-4.4872; g16 Output=Job16_B.log chk=T1.chk mem=120GB nprocshared=16 #p uwb97xd/6-31+g(d,p) force scrf=(CPCM,solvent=chloroform) nosymm scf 1/10=7,30=1,38=1/1,3 2/12=2,15=1,17=6,18=5,40=1/2 3/5=1,6=6,7=111,11=2,25=1,30=1,70=2101,71=1,72=7,74=-58,116=2/1,2,3 4/13=-1/1 5/5=2,8=3,13=1,38=5,53=7/2,8 6/7=2,8=2,9=2,10=2,28=1/1 7/29=1,30=1/1,2,3,16 1/10=7,30=1/3 99//99 Title Card Required 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 12 12 12 12 12 12 12 12 1 1 1 1 14 1 12 16 12 1 1 12 1 1 12 1 12 1 1 12 1 14 1 12 12 12 12 12 12 1 1 1 1 1 12 1 12 1 12 12 12 12 1 12 1 12 1 1 1 12 12 12 1 1 12 1 1 1 1 1 1 14 1 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 14.0030740 1.0078250 12.0000000 15.9949146 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 14.0030740 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 14.0030740 1.0078250 0 0 0 0 0 0 0 0 1 1 1 1 2 1 0 0 0 1 1 0 1 1 0 1 0 1 1 0 1 2 1 0 0 0 0 0 0 1 1 1 1 1 0 1 0 1 0 0 0 0 1 0 1 0 1 1 1 0 0 0 1 1 0 1 1 1 1 1 1 2 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /opt/share/sw/Gaussian16/g16/l101.exe) Berny optimization. 0.10000e-02 0.10000e-05 F 71 1.00e+00 60 T IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=121 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. NBasis= 859 RedAO= T EigKep= 1.08D-06 NBF= 859 NBsUse= 854 1.00D-06 EigRej= 5.68D-07 NBFU= 854 Berny optimization. local minimum Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- first step. 0.00003 0.00006 0.00014 0.00020 0.00024 0.00033 0.00038 0.00046 0.00068 0.00086 0.00120 0.00142 0.00169 0.00226 0.00274 0.00334 0.00565 0.00626 0.00694 0.00762 0.00843 0.00881 0.00925 0.00968 0.01017 0.01122 0.01260 0.01340 0.01390 0.01649 0.01650 0.02028 0.02249 0.02341 0.02524 0.02643 0.02730 0.02848 0.02968 0.03058 0.03533 0.03673 0.03877 0.04041 0.04165 0.04488 0.04705 0.04812 0.04872 0.04954 0.05050 0.05101 0.05206 0.05265 0.05277 0.05365 0.05517 0.05588 0.05658 0.05700 0.05874 0.05892 0.05931 0.06163 0.06292 0.06687 0.06866 0.06869 0.06971 0.07010 0.07032 0.07047 0.07059 0.07151 0.07171 0.07191 0.07263 0.07549 0.07589 0.07834 0.08158 0.08733 0.08948 0.09199 0.09724 0.09756 0.09767 0.10098 0.10254 0.11479 0.12075 0.12218 0.12244 0.12736 0.12991 0.13097 0.13129 0.13181 0.13355 0.13657 0.14157 0.14364 0.15118 0.15575 0.16559 0.16877 0.17228 0.17370 0.17503 0.17776 0.17920 0.18873 0.19230 0.20325 0.20763 0.21989 0.23475 0.24834 0.24957 0.25671 0.28311 0.29038 0.29899 0.30181 0.30230 0.30309 0.31019 0.31386 0.31768 0.32763 0.33785 0.35918 0.36466 0.39825 0.40525 0.41555 0.42773 0.43350 0.43677 0.44234 0.44590 0.45590 0.48904 0.50050 0.50926 0.52845 0.55307 0.56482 0.57564 0.62392 0.64053 0.67661 0.68115 0.68671 0.69637 0.70540 0.74961 0.75969 0.78041 0.79290 0.81110 0.85475 0.86621 0.88067 0.88544 0.90810 0.92586 0.94555 0.95542 0.96735 0.98012 0.99308 1.01458 1.02269 1.03651 1.04446 1.06107 1.06575 1.07630 1.08147 1.09437 1.10832 1.11901 1.13088 1.14380 1.15013 1.15781 1.17626 1.21392 1.23949 1.24609 1.25821 1.30023 1.36756 1.45736 1.47409 1.48040 1.48344 1.54996 1.59362 1.59734 1.59988 1.60190 1.63152 1.74898 1.76936 2.27007 Angle between NR and scaled steps= 10.33 degrees. Angle between quadratic step and forces= 80.90 degrees. Linear search not attempted -- first point. |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.005489 0.000904 0.156484 0.020558 0.000450 0.000300 0.001800 0.001200 NO NO NO NO -3.168837e-04 Grimme-D2 -0.0746784629 C-PCM UFF Total charges None On-the-fly selection Chloroform 4.711300 2.090627 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 442.3618999999997 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;15;17;20;23;25;28;32;33;34;35;36;37;43;45;47;48;49;50;52;54;58;59;60;63;13;30;70;16;9;10;11;12;14;18;19;21;22;24;26;27;29;31;38;39;40;41;42;44;46;51;53;55;56;57;61;62;64;65;66;67;68;69;71/rA:71nC0C0C0C0C0C0C0C0H0H0H0H0N0H0C0O0C0H0H0C0H0H0C0H0C0H0H0C0H0N0H0C0C0C0C0C0C0H0H0H0H0H0C0H0C0H0C0C0C0C0H0C0H0C0H0H0H0C0C0C0H0H0C0H0H0H0H0H0H0N0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.6703,-2.127,-.6118;-.4509,-1.9006,-1.4678;-.6066,-.6313,-2.0711;.3387,.3405,-1.8329;1.45,.0828,-.9975;1.6329,-1.138,-.3753;-.5779,-4.0993,-.5903;-1.2151,-3.0971,-1.5057;-1.4454,-.3863,-2.7112;.2316,1.317,-2.2908;2.1815,.8684,-.8393;2.4812,-1.3336,.2645;.6112,-3.4076,-.1162;-.2759,-4.9908,-1.1549;1.4628,-4.0196,.8053;2.4751,-3.4773,1.2031;.9605,-5.3734,1.2346;1.1091,-6.0768,.4066;1.5807,-5.7113,2.0648;-.5215,-5.318,1.6471;-.5894,-4.8033,2.6093;-.88,-6.336,1.8117;-1.4546,-4.5929,.6311;-2.1548,-5.3153,.1999;-2.2158,-3.4885,1.2689;-1.7109,-2.7872,1.9262;-3.2346,-3.2669,.968;-2.4019,-3.3988,-2.1647;-2.8781,-4.356,-1.9716;-3.047,-2.5974,-3.0027;-2.6616,-1.6836,-3.2099;-2.9674,-.1347,-5.1365;-4.1863,-.5425,-4.5834;-4.948,.3797,-3.8573;-4.4907,1.6814,-3.6794;-3.2653,2.0753,-4.217;-2.5052,1.1675,-4.948;-2.3744,-.8344,-5.7189;-5.9008,.0976,-3.4205;-5.0918,2.3877,-3.1179;-2.9106,3.0902,-4.0725;-1.5566,1.4675,-5.38;-4.5995,-1.9904,-4.7573;-3.9731,-2.4352,-5.5359;-4.4081,-2.849,-3.4621;-4.4576,-3.903,-3.751;-5.4333,-2.6146,-2.3613;-6.561,-3.4394,-2.2993;-5.2661,-1.6159,-1.3969;-7.5316,-3.2406,-1.3189;-6.6713,-4.2666,-2.995;-6.2307,-1.4235,-.4131;-4.3803,-.9886,-1.4021;-7.3698,-2.2273,-.3778;-8.3999,-3.8894,-1.2816;-6.0895,-.6462,.3309;-8.1191,-2.0749,.3918;-6.3301,-1.1513,-6.4038;-6.3768,-3.517,-5.7751;-7.3246,-1.9039,-7.2683;-5.3952,-.9712,-6.937;-6.69,-.2155,-5.9816;-6.7762,-3.329,-7.2351;-7.2135,-3.8663,-5.1714;-5.5272,-4.183,-5.6353;-8.3298,-1.857,-6.8387;-7.3612,-1.4817,-8.2733;-7.5056,-4.0815,-7.5359;-5.9027,-3.4182,-7.8866;-6.0109,-2.1178,-5.267;-6.6405,-1.905,-4.4872; 0.1794966 0.0704727 0.0603786 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 846 846 846 846 846 MxSgAt= 71 MxSgA2= 71. 1 open 1 1 1 -1478.36449063176 -1478.60179488687 -0.237304255117 -1479.15106252551 -0.549267638638 -1479.16877092688 -0.017708401372 -1479.17568982934 -0.006918902454 -1479.17775894146 -0.002069112128 -1479.17849064450 -0.000731703035 -1479.17864089812 -0.000150253624 -1479.17872576693 -0.000084868806 -1479.17876279116 -0.000037024226 -1479.17877778918 -0.000014998028 -1479.17878274905 -0.000004959870 -1479.17878476634 -0.000002017283 -1479.17878565783 -0.000000891497 -1479.17878586910 -0.000000211262 -1479.17878589995 -0.000000030857 -1479.17878591099 -0.000000011040 -1479.17878591348 -0.000000002491 -1479.17878591485 -0.000000001367 -1479.17878591539 -0.000000000538 -1479.17878591527 0.000000000118 -1479.17878591524 0.000000000035 -1479.17878591522 0.000000000020 -1479.17878591513 0.000000000088 -1479.17878591514 -0.000000000010 -1479.17878592 25 2.0217 1.465445433734e+03 -1.114044707136e+04 4.310420368297e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 16106127360 LenX= 16104629559 LenY= 16103890819 Requested convergence on RMS density matrix=1.00D-08 within 32 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 2.0217 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 C C C C C C C C H H H H N H C O C H H C H H C H C H H C H N H C C C C C C H H H H H C H C H C C C C H C H C H H H C C C H H C H H H H H H N H 13 13 13 13 13 13 13 13 1 1 1 1 14 1 13 17 13 1 1 13 1 1 13 1 13 1 1 13 1 14 1 13 13 13 13 13 13 1 1 1 1 1 13 1 13 1 13 13 13 13 1 13 1 13 1 1 1 13 13 13 1 1 13 1 1 1 1 1 1 14 1 0.00760 -0.00294 -0.00036 -0.00134 0.00781 -0.00800 0.04938 0.01029 -0.00064 -0.00050 -0.00201 0.00057 0.00928 0.01578 -0.00246 0.00528 0.00097 0.00006 0.00004 0.02212 0.00028 -0.00044 -0.00105 0.00422 0.08160 -0.01464 -0.01407 -0.00043 -0.00276 0.03737 -0.00375 0.00009 -0.00019 0.00008 0.00001 -0.00001 0.00005 0.00004 -0.00001 -0.00000 0.00000 -0.00001 0.00094 -0.00005 -0.00539 0.00272 0.01056 0.00044 -0.00023 0.00046 0.00001 0.00001 0.00000 0.00005 0.00007 0.00003 0.00001 -0.00002 0.00016 0.00000 0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00001 0.00001 4.27260 -1.65368 -0.20090 -0.75461 4.38858 -4.49777 27.75396 5.78338 -1.42131 -1.12583 -4.49128 1.26455 1.49851 35.26941 -1.38162 -1.59904 0.54335 0.12706 0.08228 12.43173 0.61738 -0.98538 -0.59175 9.42609 45.86699 -32.72807 -31.44638 -0.24114 -6.17237 6.03721 -8.38557 0.05299 -0.10848 0.04309 0.00443 -0.00453 0.02570 0.09904 -0.01520 -0.00986 0.00331 -0.01866 0.53030 -0.10955 -3.02699 6.09017 5.93312 0.24651 -0.13107 0.25591 0.02923 0.00444 0.00914 0.03041 0.16334 0.05738 0.02094 -0.01371 0.09193 0.00042 0.00592 0.00635 0.00623 -0.00468 0.00492 -0.00004 0.01149 -0.00081 -0.00081 0.00215 0.01309 1.52457 -0.59007 -0.07169 -0.26926 1.56596 -1.60492 9.90330 2.06365 -0.50716 -0.40172 -1.60260 0.45122 0.53471 12.58500 -0.49300 -0.57058 0.19388 0.04534 0.02936 4.43595 0.22030 -0.35161 -0.21115 3.36346 16.36648 -11.67819 -11.22085 -0.08604 -2.20245 2.15423 -2.99218 0.01891 -0.03871 0.01538 0.00158 -0.00162 0.00917 0.03534 -0.00542 -0.00352 0.00118 -0.00666 0.18923 -0.03909 -1.08011 2.17312 2.11708 0.08796 -0.04677 0.09132 0.01043 0.00158 0.00326 0.01085 0.05828 0.02047 0.00747 -0.00489 0.03280 0.00015 0.00211 0.00227 0.00222 -0.00167 0.00176 -0.00001 0.00410 -0.00029 -0.00029 0.00077 0.00467 1.42519 -0.55161 -0.06701 -0.25171 1.46387 -1.50029 9.25772 1.92913 -0.47410 -0.37554 -1.49813 0.42181 0.49985 11.76461 -0.46086 -0.53338 0.18124 0.04238 0.02744 4.14678 0.20594 -0.32869 -0.19739 3.14420 15.29958 -10.91691 -10.48938 -0.08043 -2.05888 2.01380 -2.79713 0.01768 -0.03619 0.01437 0.00148 -0.00151 0.00857 0.03304 -0.00507 -0.00329 0.00110 -0.00622 0.17689 -0.03654 -1.00970 2.03146 1.97908 0.08223 -0.04372 0.08536 0.00975 0.00148 0.00305 0.01014 0.05448 0.01914 0.00698 -0.00457 0.03066 0.00014 0.00198 0.00212 0.00208 -0.00156 0.00164 -0.00001 0.00383 -0.00027 -0.00027 0.00072 0.00437 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 -0.012564 -0.001347 -0.007457 -0.004164 -0.009456 0.006293 0.011682 0.001531 -0.001209 -0.002410 0.003759 0.001665 -0.005446 -0.005291 0.007069 -0.015098 0.005969 0.000842 0.001566 0.003827 0.002639 -0.002978 -0.007681 -0.011272 -0.390049 -0.034211 0.064097 -0.032410 -0.003275 -0.126068 -0.014120 -0.001570 -0.000941 -0.000050 -0.000504 -0.000664 -0.001061 -0.001695 0.000597 -0.000225 -0.000541 -0.000792 0.000301 -0.001190 0.009096 0.002491 0.010208 0.003331 0.004189 0.002345 0.001901 0.002335 0.000813 0.002245 0.001537 0.001592 0.001608 0.000140 0.000532 0.000126 -0.000189 0.000162 0.000073 0.000727 0.000220 0.000243 0.000024 0.000102 -0.000118 0.000984 0.001212 -0.051078 -0.021189 -0.009486 -0.010276 -0.043371 0.016600 -0.045468 -0.097130 0.002208 0.002828 0.000417 0.001482 -0.071333 0.007235 -0.002946 -0.029393 -0.001829 0.001693 -0.000476 0.008895 -0.005622 0.007560 -0.008355 0.012401 0.011426 0.010376 -0.046018 -0.061301 0.005992 -0.125450 0.021862 0.000743 0.000476 0.000646 0.000792 0.000978 0.000534 -0.000482 0.000124 0.000724 0.000826 0.000414 -0.002001 -0.002933 -0.006960 -0.001786 -0.011734 -0.001192 -0.002869 -0.001615 -0.001121 -0.001242 0.000210 -0.001394 -0.000853 -0.000371 -0.000852 -0.000530 -0.000966 -0.000418 -0.000521 -0.000326 -0.000547 -0.000781 -0.001025 -0.000366 -0.000305 -0.000374 -0.000520 -0.001258 -0.001167 0.063642 0.022536 0.016943 0.014440 0.052827 -0.022892 0.033787 0.095599 -0.000999 -0.000418 -0.004177 -0.003147 0.076779 -0.001944 -0.004123 0.044491 -0.004140 -0.002535 -0.001090 -0.012722 0.002983 -0.004582 0.016036 -0.001129 0.378623 0.023836 -0.018079 0.093711 -0.002717 0.251518 -0.007742 0.000828 0.000465 -0.000596 -0.000287 -0.000314 0.000526 0.002177 -0.000721 -0.000499 -0.000284 0.000378 0.001700 0.004124 -0.002137 -0.000705 0.001526 -0.002138 -0.001320 -0.000730 -0.000780 -0.001093 -0.001022 -0.000851 -0.000685 -0.001220 -0.000757 0.000390 0.000434 0.000292 0.000710 0.000164 0.000475 0.000054 0.000805 0.000123 0.000281 0.000272 0.000638 0.000274 -0.000045 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 -0.034893 -0.009237 -0.004644 -0.006253 -0.029941 0.015463 0.002006 -0.071785 -0.000416 -0.001904 0.009413 0.004014 -0.056484 -0.007730 -0.003727 -0.051778 -0.005416 -0.004016 -0.002461 -0.028106 -0.009137 -0.004260 0.002093 0.002002 0.260818 0.056060 -0.015105 -0.058221 0.015087 -0.141982 0.014764 -0.000368 -0.001909 -0.001881 -0.001025 -0.000513 -0.000207 0.000113 -0.001609 -0.000864 -0.000327 0.000106 -0.002015 -0.000357 0.000952 0.004489 -0.003136 0.002931 -0.002038 -0.000167 0.001209 -0.002209 -0.005173 -0.000197 0.000353 -0.002230 -0.000490 -0.000365 0.000118 -0.000126 -0.000318 -0.000471 0.000043 0.000302 0.000569 -0.000113 -0.000097 0.000110 0.000056 -0.000592 -0.000604 -0.090878 -0.038848 -0.017937 -0.018931 -0.080723 0.027351 -0.068039 -0.165927 0.002082 0.000796 -0.000419 0.000932 -0.127873 -0.004150 0.005119 -0.080993 0.000448 0.000311 0.001605 0.010774 0.008441 0.000675 -0.030483 -0.002170 -0.335443 0.024697 0.019377 -0.099379 -0.002336 -0.263256 -0.008683 0.000454 0.001715 0.001370 0.000717 0.000364 0.000667 0.000107 0.000916 0.000339 0.000227 0.000100 0.004501 0.003056 0.004174 0.004688 -0.010636 -0.000089 0.000222 0.000086 0.001137 0.000314 -0.000180 -0.000408 0.000300 -0.000218 -0.000115 0.000936 0.001486 0.000637 0.000860 0.000761 0.000788 0.001079 0.001735 0.000548 0.000457 0.000568 0.000665 0.001650 0.001581 0.055372 0.017751 0.007471 0.010715 0.050680 -0.017408 -0.005421 0.097999 -0.004388 -0.003931 0.004723 -0.000467 0.078234 0.007159 0.001290 0.075130 -0.002638 -0.000839 -0.001877 -0.011651 -0.005981 -0.003804 -0.015983 0.009203 -0.691872 0.026851 -0.038941 0.092088 0.002476 0.271733 -0.006869 -0.002217 -0.002528 -0.001486 -0.001027 -0.001083 -0.001640 -0.002385 -0.000813 -0.000517 -0.000759 -0.001330 -0.002513 -0.000865 -0.000122 0.002146 -0.000009 -0.000044 0.000973 -0.000384 0.000311 -0.000386 0.000471 0.000360 -0.000031 0.000073 -0.000005 -0.000420 0.000123 -0.000152 -0.000546 -0.000471 0.000028 0.000188 0.000671 -0.000106 -0.000133 0.000114 0.000083 -0.000428 -0.000424 -0.4876 0.6509 -0.5819 0.6987 0.6905 0.1871 -0.5236 0.3154 0.7915 -0.0744 -0.0714 0.1458 -9.989 -9.579 19.568 -3.564 -3.418 6.982 -3.332 -3.195 6.527 1 C 13 0.638 -0.4694 0.6104 0.5193 0.8476 0.1089 -0.5685 0.2475 0.7846 -0.0317 -0.0246 0.0563 -4.256 -3.297 7.553 -1.519 -1.176 2.695 -1.42 -1.1 2.519 2 C 13 0.8887 0.1054 0.4462 0.01 0.9686 -0.2486 -0.4584 0.2253 0.8597 -0.017 -0.0115 0.0285 -2.283 -1.537 3.82 -0.815 -0.548 1.363 -0.762 -0.513 1.274 3 C 13 0.8098 -0.1676 0.5623 0.3015 0.941 -0.1537 -0.5034 0.294 0.8125 -0.016 -0.014 0.03 -2.149 -1.883 4.032 -0.767 -0.672 1.439 -0.717 -0.628 1.345 4 C 13 -0.519 0.6073 -0.6015 0.6708 0.7255 0.1536 -0.5297 0.3238 0.7839 -0.068 -0.0603 0.1283 -9.123 -8.095 17.218 -3.255 -2.888 6.144 -3.043 -2.7 5.743 5 C 13 -0.5019 0.3373 0.7964 0.5616 -0.5732 0.5967 0.6578 0.7468 0.0982 -0.0475 0.0196 0.0279 -6.374 2.626 3.748 -2.275 0.937 1.337 -2.126 0.876 1.25 6 C 13 0.5555 0.6596 0.5062 -0.5223 0.7506 -0.4048 -0.647 -0.0395 0.7615 -0.0479 -0.0439 0.0919 -6.433 -5.896 12.329 -2.295 -2.104 4.399 -2.146 -1.967 4.113 7 C 13 0.097 0.9407 -0.3252 0.8159 0.112 0.5673 -0.57 0.3203 0.7566 -0.1384 -0.1237 0.2621 -18.573 -16.598 35.171 -6.627 -5.923 12.55 -6.195 -5.537 11.732 8 C 13 -0.4077 0.4708 0.7824 0.8848 0.4154 0.2111 -0.2257 0.7783 -0.5859 -0.0047 -9.0E-4 0.0056 -2.52 -0.484 3.005 -0.899 -0.173 1.072 -0.841 -0.162 1.002 9 H 1 0.6208 0.5471 0.5615 0.7476 -0.1977 -0.634 -0.2358 0.8134 -0.5317 -0.0034 -0.0026 0.0059 -1.797 -1.377 3.174 -0.641 -0.491 1.133 -0.599 -0.459 1.059 10 H 1 -0.4735 0.6746 -0.5663 -0.489 0.3334 0.8061 0.7326 0.6586 0.172 -0.0102 -0.002 0.0121 -5.417 -1.051 6.468 -1.933 -0.375 2.308 -1.807 -0.35 2.157 11 H 1 -0.4219 0.3895 0.8187 -0.5536 0.6044 -0.5728 0.718 0.695 0.0394 -0.0038 -0.0018 0.0056 -2.054 -0.935 2.989 -0.733 -0.334 1.067 -0.685 -0.312 0.997 12 H 1 0.1437 0.9418 -0.3039 0.819 0.0592 0.5707 -0.5555 0.3309 0.7629 -0.1052 -0.0986 0.2038 -4.057 -3.804 7.861 -1.448 -1.357 2.805 -1.353 -1.269 2.622 13 N 14 0.9174 0.3579 0.1741 0.0169 -0.472 0.8814 -0.3977 0.8057 0.439 -0.0091 -0.0059 0.015 -4.852 -3.125 7.978 -1.731 -1.115 2.847 -1.619 -1.042 2.661 14 H 1 -0.3946 -0.5187 0.7585 0.0157 0.8215 0.57 0.9187 -0.2368 0.3161 -0.0077 -0.0021 0.0098 -1.029 -0.285 1.314 -0.367 -0.102 0.469 -0.343 -0.095 0.438 15 C 13 0.1812 0.8851 -0.4287 0.8422 0.0855 0.5324 -0.5079 0.4575 0.7299 -0.0764 -0.0716 0.1479 5.527 5.178 -10.705 1.972 1.848 -3.82 1.844 1.727 -3.571 16 O 17 0.2693 0.6814 0.6805 -0.4047 -0.5612 0.722 0.8739 -0.4699 0.1247 -0.0066 -0.0023 0.0089 -0.886 -0.314 1.2 -0.316 -0.112 0.428 -0.296 -0.105 0.4 17 C 13 0.5394 0.5685 0.6212 -0.5204 -0.3548 0.7767 -0.662 0.7422 -0.1045 -0.003 -0.0024 0.0054 -1.618 -1.259 2.878 -0.577 -0.449 1.027 -0.54 -0.42 0.96 18 H 1 0.1708 0.7306 0.6611 0.6571 0.4155 -0.629 0.7342 -0.5418 0.4091 -0.0027 -0.0015 0.0043 -1.467 -0.815 2.282 -0.523 -0.291 0.814 -0.489 -0.272 0.761 19 H 1 0.7418 0.6703 -0.0199 -0.1811 0.2289 0.9565 -0.6457 0.7059 -0.2912 -0.0219 -0.0176 0.0394 -2.933 -2.355 5.289 -1.047 -0.84 1.887 -0.979 -0.786 1.764 20 C 13 0.5204 0.8525 0.0487 -0.5402 0.2845 0.792 0.6614 -0.4384 0.6086 -0.0115 -0.0049 0.0165 -6.158 -2.627 8.785 -2.197 -0.937 3.135 -2.054 -0.876 2.93 21 H 1 0.3109 0.3495 0.8838 0.8977 0.1976 -0.3939 -0.3123 0.9159 -0.2523 -0.0058 -0.0042 0.0101 -3.121 -2.247 5.368 -1.114 -0.802 1.915 -1.041 -0.749 1.79 22 H 1 0.7315 0.3444 0.5884 -0.4447 0.8952 0.0289 -0.5168 -0.2829 0.808 -0.0312 -0.0099 0.0411 -4.189 -1.33 5.519 -1.495 -0.475 1.969 -1.397 -0.444 1.841 23 C 13 0.9206 -0.1983 0.3363 -0.3894 -0.4029 0.8283 0.0288 0.8935 0.4481 -0.0125 -0.0046 0.0171 -6.667 -2.446 9.114 -2.379 -0.873 3.252 -2.224 -0.816 3.04 24 H 1 -0.3651 0.7989 0.4779 0.8862 0.1409 0.4414 -0.2853 -0.5847 0.7594 -0.5217 -0.5157 1.0373 -70.002 -69.197 139.2 -24.979 -24.691 49.67 -23.35 -23.082 46.432 25 C 13 0.8362 -0.5449 -0.0624 -0.2764 -0.517 0.8101 0.4737 0.6602 0.5829 -0.0726 -0.0017 0.0743 -38.727 -0.922 39.649 -13.819 -0.329 14.148 -12.918 -0.307 13.225 26 H 1 0.0092 0.8194 0.5732 -0.3571 -0.5327 0.7672 0.934 -0.2118 0.2877 -0.0734 -1.0E-4 0.0735 -39.179 -0.033 39.212 -13.98 -0.012 13.992 -13.069 -0.011 13.08 27 H 1 0.4142 0.8879 -0.2001 0.7904 -0.2418 0.5629 -0.4514 0.3913 0.8019 -0.1092 -0.0854 0.1946 -14.655 -11.457 26.112 -5.229 -4.088 9.317 -4.888 -3.822 8.71 28 C 13 0.7743 -0.5782 0.2572 -0.2251 0.1282 0.9659 0.5914 0.8058 0.0309 -0.0153 -0.0018 0.0172 -8.172 -0.984 9.156 -2.916 -0.351 3.267 -2.726 -0.328 3.054 29 H 1 0.4001 0.8798 -0.2568 0.8173 -0.2157 0.5344 -0.4148 0.4237 0.8053 -0.2693 -0.2607 0.5301 -10.387 -10.056 20.444 -3.706 -3.588 7.295 -3.465 -3.354 6.819 30 N 14 0.8779 -0.229 0.4205 -0.3222 0.3671 0.8726 0.3542 0.9016 -0.2485 -0.0221 -0.0074 0.0296 -11.807 -3.962 15.769 -4.213 -1.414 5.627 -3.939 -1.321 5.26 31 H 1 0.9643 -0.0842 -0.2512 0.234 0.7152 0.6585 0.1242 -0.6938 0.7094 -0.0017 -0.0014 0.0031 -0.222 -0.19 0.413 -0.079 -0.068 0.147 -0.074 -0.064 0.138 32 C 13 0.7826 0.6174 0.0799 -0.4383 0.4553 0.775 -0.4421 0.6415 -0.6269 -0.0023 -0.002 0.0043 -0.305 -0.267 0.572 -0.109 -0.095 0.204 -0.102 -0.089 0.191 33 C 13 0.7137 0.1355 -0.6872 0.401 0.7254 0.5595 -0.5743 0.6749 -0.4634 -0.0017 -0.0015 0.0033 -0.232 -0.207 0.438 -0.083 -0.074 0.156 -0.077 -0.069 0.146 34 C 13 0.856 0.2005 -0.4764 0.2674 0.617 0.7402 -0.4423 0.761 -0.4745 -0.0011 -9.0E-4 0.002 -0.153 -0.119 0.272 -0.055 -0.042 0.097 -0.051 -0.04 0.091 35 C 13 -0.4076 0.3613 0.8386 0.8781 0.4072 0.2514 -0.2506 0.8389 -0.4832 -0.001 -8.0E-4 0.0018 -0.128 -0.107 0.235 -0.046 -0.038 0.084 -0.043 -0.036 0.079 36 C 13 0.7306 -0.3863 -0.563 0.6578 0.6194 0.4287 0.1831 -0.6835 0.7066 -0.0015 -8.0E-4 0.0023 -0.197 -0.11 0.307 -0.07 -0.039 0.109 -0.066 -0.037 0.102 37 C 13 -0.4878 0.7511 0.4448 0.8729 0.4236 0.242 0.0067 -0.5063 0.8623 -0.002 -0.0016 0.0036 -1.05 -0.859 1.909 -0.375 -0.307 0.681 -0.35 -0.287 0.637 38 H 1 0.5872 0.7875 0.1872 -0.3976 0.0791 0.9142 0.7051 -0.6112 0.3595 -0.0013 -0.0012 0.0025 -0.677 -0.635 1.312 -0.242 -0.227 0.468 -0.226 -0.212 0.438 39 H 1 0.8373 0.3408 -0.4275 0.2457 0.4639 0.8511 -0.4884 0.8177 -0.3047 -7.0E-4 -7.0E-4 0.0014 -0.4 -0.364 0.764 -0.143 -0.13 0.273 -0.133 -0.122 0.255 40 H 1 -0.5433 0.277 0.7925 0.8128 0.4097 0.4141 -0.21 0.8691 -0.4477 -7.0E-4 -6.0E-4 0.0013 -0.376 -0.315 0.692 -0.134 -0.112 0.247 -0.126 -0.105 0.231 41 H 1 -0.529 0.5967 0.6033 0.8486 0.3701 0.3781 0.0023 0.712 -0.7022 -0.001 -7.0E-4 0.0017 -0.547 -0.374 0.921 -0.195 -0.133 0.329 -0.182 -0.125 0.307 42 H 1 -0.6842 0.229 0.6924 0.403 0.91 0.0973 0.6078 -0.3456 0.7149 -0.0036 -0.0032 0.0067 -0.48 -0.424 0.905 -0.171 -0.151 0.323 -0.16 -0.142 0.302 43 C 13 -0.0227 0.9913 0.1295 0.911 0.0739 -0.4058 0.4118 -0.1087 0.9048 -0.003 -0.0026 0.0056 -1.621 -1.377 2.998 -0.578 -0.491 1.07 -0.541 -0.459 1.0 44 H 1 -0.0831 0.992 0.0951 -0.3052 -0.1162 0.9452 0.9487 0.0495 0.3124 -0.0071 -0.0035 0.0105 -0.946 -0.466 1.412 -0.338 -0.166 0.504 -0.316 -0.155 0.471 45 C 13 -0.6434 0.6658 0.3778 -0.1643 -0.6022 0.7813 0.7476 0.4406 0.4969 -0.0049 -0.0033 0.0083 -2.618 -1.785 4.403 -0.934 -0.637 1.571 -0.873 -0.595 1.469 46 H 1 0.209 0.9647 0.1601 0.5164 -0.2479 0.8197 0.8305 -0.0887 -0.5499 -0.0124 -0.0052 0.0176 -1.666 -0.694 2.36 -0.594 -0.248 0.842 -0.556 -0.231 0.787 47 C 13 -0.4411 0.8975 8.0E-4 0.0132 0.0056 0.9999 0.8974 0.441 -0.0143 -0.0026 -0.0021 0.0048 -0.353 -0.287 0.64 -0.126 -0.102 0.229 -0.118 -0.096 0.214 48 C 13 0.2387 0.8973 -0.3713 0.1021 0.357 0.9285 0.9657 -0.2596 -0.0064 -0.0038 -9.0E-4 0.0047 -0.512 -0.124 0.635 -0.183 -0.044 0.227 -0.171 -0.041 0.212 49 C 13 0.0308 0.9376 0.3463 -0.0469 -0.3447 0.9375 0.9984 -0.0451 0.0334 -0.0018 -6.0E-4 0.0024 -0.237 -0.08 0.316 -0.084 -0.028 0.113 -0.079 -0.027 0.105 50 C 13 -0.3788 0.9056 0.1909 -0.2296 -0.2918 0.9285 0.8965 0.3079 0.3185 -0.0016 -0.0012 0.0027 -0.833 -0.618 1.451 -0.297 -0.221 0.518 -0.278 -0.206 0.484 51 H 1 0.4115 0.8946 0.1741 -0.1637 -0.1153 0.9797 0.8966 -0.4317 0.099 -0.0023 -0.0011 0.0034 -0.313 -0.148 0.461 -0.112 -0.053 0.164 -0.104 -0.049 0.154 52 C 13 0.6831 0.7279 -0.06 0.09 -0.0024 0.9959 0.7248 -0.6857 -0.0672 -0.0047 -0.001 0.0057 -2.499 -0.555 3.054 -0.892 -0.198 1.09 -0.834 -0.185 1.019 53 H 1 -0.0017 0.8945 -0.447 0.15 0.4422 0.8843 0.9887 -0.0655 -0.1349 -0.0016 -7.0E-4 0.0023 -0.211 -0.099 0.311 -0.075 -0.035 0.111 -0.07 -0.033 0.104 54 C 13 -0.1728 0.9286 0.3284 -0.0712 -0.3443 0.9362 0.9824 0.1384 0.1257 -9.0E-4 -7.0E-4 0.0016 -0.496 -0.371 0.867 -0.177 -0.133 0.309 -0.165 -0.124 0.289 55 H 1 0.5476 0.8312 0.0964 -0.0094 -0.1091 0.994 0.8367 -0.5452 -0.052 -0.0018 -0.0012 0.0031 -0.977 -0.654 1.632 -0.349 -0.233 0.582 -0.326 -0.218 0.544 56 H 1 0.1924 0.9713 0.1397 0.018 -0.1458 0.9892 0.9812 -0.1878 -0.0455 -9.0E-4 -8.0E-4 0.0017 -0.507 -0.404 0.911 -0.181 -0.144 0.325 -0.169 -0.135 0.304 57 H 1 0.0971 0.9534 0.2858 0.7689 0.1105 -0.6298 0.632 -0.2809 0.7223 -7.0E-4 -7.0E-4 0.0014 -0.093 -0.091 0.184 -0.033 -0.033 0.066 -0.031 -0.03 0.061 58 C 13 -0.6701 -0.2158 0.7102 -0.1908 0.9747 0.1161 0.7173 0.0577 0.6943 -0.001 -0.001 0.002 -0.135 -0.131 0.266 -0.048 -0.047 0.095 -0.045 -0.044 0.089 59 C 13 -0.1452 0.9372 0.317 0.7443 0.3146 -0.5891 0.6519 -0.1504 0.7433 -5.0E-4 -4.0E-4 9.0E-4 -0.06 -0.058 0.118 -0.022 -0.021 0.042 -0.02 -0.019 0.039 60 C 13 -0.2586 0.8418 0.4737 0.8314 0.4436 -0.3345 0.4918 -0.3074 0.8147 -7.0E-4 -7.0E-4 0.0014 -0.39 -0.376 0.766 -0.139 -0.134 0.273 -0.13 -0.125 0.255 61 H 1 0.2748 0.9176 0.2871 0.71 0.0077 -0.7042 0.6484 -0.3974 0.6494 -6.0E-4 -6.0E-4 0.0012 -0.328 -0.319 0.647 -0.117 -0.114 0.231 -0.109 -0.106 0.216 62 H 1 -0.4923 0.7958 0.3527 0.6175 0.6049 -0.5028 0.6135 0.0297 0.7892 -6.0E-4 -5.0E-4 0.0011 -0.075 -0.071 0.146 -0.027 -0.025 0.052 -0.025 -0.024 0.049 63 C 13 -0.2685 0.9555 0.1225 -0.5403 -0.2547 0.802 0.7975 0.1491 0.5846 -8.0E-4 -7.0E-4 0.0016 -0.449 -0.391 0.84 -0.16 -0.139 0.3 -0.15 -0.13 0.28 64 H 1 0.7413 -0.479 -0.47 0.2407 0.8436 -0.4801 0.6265 0.2428 0.7407 -0.0012 -0.0012 0.0025 -0.666 -0.664 1.33 -0.238 -0.237 0.474 -0.222 -0.221 0.444 65 H 1 -0.0227 0.9738 0.2263 -0.6753 -0.1818 0.7147 0.7372 -0.1365 0.6618 -4.0E-4 -4.0E-4 8.0E-4 -0.207 -0.196 0.403 -0.074 -0.07 0.144 -0.069 -0.065 0.134 66 H 1 -0.1395 0.9412 0.3079 0.7919 0.2927 -0.536 0.5945 -0.169 0.7861 -3.0E-4 -3.0E-4 7.0E-4 -0.178 -0.172 0.35 -0.064 -0.061 0.125 -0.059 -0.057 0.117 67 H 1 -0.4801 0.8368 0.2631 -0.5917 -0.5304 0.6071 0.6476 0.1358 0.7498 -4.0E-4 -4.0E-4 8.0E-4 -0.214 -0.203 0.418 -0.076 -0.073 0.149 -0.071 -0.068 0.139 68 H 1 -0.2852 0.9537 0.095 0.8164 0.2937 -0.4972 0.5021 0.0642 0.8624 -5.0E-4 -5.0E-4 0.001 -0.282 -0.268 0.55 -0.101 -0.096 0.196 -0.094 -0.089 0.184 69 H 1 0.2169 0.9755 0.0357 -0.6068 0.1061 0.7878 0.7647 -0.1925 0.6149 -0.0014 -0.0011 0.0025 -0.054 -0.041 0.095 -0.019 -0.015 0.034 -0.018 -0.014 0.032 70 N 14 (Enter /opt/share/sw/Gaussian16/g16/l716.exe) PT15948.600S Wed Sep 18 16:38:46 2024 -10.45684 -10.45394 -10.44892 -10.43410 -10.42498 -10.42276 -10.41789 -10.41621 -10.40103 -10.39280 -10.38690 -10.38527 -10.38120 -10.37978 -10.37672 -10.37643 -10.37316 -10.37269 -10.36980 -10.36909 -10.36891 -10.36824 -10.36800 -10.36790 -10.36669 -10.36501 -10.36415 -10.36300 -10.35771 -10.35721 -10.35527 -1.22238 -1.19388 -1.17135 -1.15622 -1.04365 -1.03558 -1.02900 -1.00823 -0.99315 -0.97839 -0.95694 -0.93877 -0.92714 -0.92368 -0.91562 -0.91307 -0.91015 -0.90693 -0.88865 -0.86187 -0.83197 -0.81834 -0.80616 -0.80547 -0.78801 -0.77619 -0.77287 -0.76488 -0.76296 -0.75922 -0.75057 -0.73420 -0.71783 -0.70405 -0.69624 -0.68627 -0.68053 -0.67267 -0.66845 -0.65117 -0.64316 -0.64006 -0.63549 -0.62936 -0.62599 -0.61596 -0.61159 -0.61066 -0.60443 -0.59628 -0.59100 -0.58867 -0.58725 -0.58526 -0.58206 -0.57685 -0.57527 -0.57021 -0.56596 -0.56513 -0.55990 -0.55386 -0.55096 -0.54792 -0.53968 -0.52853 -0.52608 -0.52372 -0.52133 -0.51564 -0.51231 -0.51040 -0.50403 -0.49841 -0.49191 -0.49174 -0.48946 -0.48684 -0.48519 -0.48330 -0.48203 -0.46780 -0.45498 -0.43705 -0.40477 -0.40237 -0.40193 -0.39107 -0.38905 -0.38442 -0.34614 -0.33164 -0.05968 -0.02369 -0.01875 -0.01716 -0.01253 -0.00150 0.01010 0.02041 0.02387 0.02680 0.03199 0.03638 0.03871 0.04187 0.04272 0.04588 0.05049 0.05123 0.05256 0.05418 0.05687 0.06211 0.06412 0.06523 0.06747 0.07052 0.07246 0.07579 0.07830 0.08254 0.08512 0.08777 0.08891 0.09048 0.09584 0.09753 0.09987 0.10076 0.10169 0.10471 0.10726 0.11033 0.11219 0.11475 0.11728 0.11783 0.12054 0.12243 0.12290 0.12924 0.13049 0.13414 0.13522 0.13693 0.14011 0.14209 0.14470 0.14622 0.14723 0.15038 0.15135 0.15292 0.15386 0.15601 0.15907 0.15955 0.16159 0.16527 0.16675 0.16970 0.17088 0.17224 0.17470 0.17627 0.17828 0.18027 0.18202 0.18580 0.18720 0.18730 0.19232 0.19336 0.19467 0.19626 0.19875 0.19909 0.20263 0.20570 0.20669 0.21032 0.21166 0.21298 0.21486 0.21580 0.21783 0.21877 0.21980 0.22120 0.22287 0.22315 0.22721 0.22858 0.22918 0.23092 0.23306 0.23345 0.23574 0.23945 0.24052 0.24658 0.24694 0.24907 0.25183 0.25347 0.25492 0.25685 0.25796 0.25881 0.25967 0.26277 0.26479 0.26511 0.26717 0.26789 0.26890 0.27096 0.27266 0.27641 0.27691 0.27922 0.28295 0.28467 0.28786 0.28975 0.29075 0.29248 0.29373 0.29574 0.29729 0.30001 0.30076 0.30313 0.30538 0.30728 0.30963 0.31003 0.31150 0.31342 0.31693 0.32140 0.32238 0.32317 0.32648 0.32753 0.32971 0.33064 0.33157 0.33471 0.33652 0.33853 0.33876 0.34192 0.34397 0.34531 0.35057 0.35477 0.35757 0.36156 0.36308 0.36516 0.36804 0.37034 0.37134 0.37423 0.37482 0.37686 0.37895 0.38086 0.38493 0.38816 0.38954 0.39324 0.40079 0.40248 0.40405 0.40827 0.40997 0.41262 0.41332 0.41699 0.42038 0.42225 0.42409 0.42866 0.43327 0.44208 0.44450 0.44655 0.44708 0.44971 0.45508 0.45765 0.46068 0.46658 0.47317 0.47560 0.48006 0.48711 0.48847 0.49161 0.50222 0.51193 0.51525 0.52252 0.52845 0.53333 0.54475 0.55186 0.56813 0.57698 0.61024 0.61960 0.62284 0.64441 0.66139 0.67043 0.67119 0.68615 0.69251 0.69802 0.70350 0.70871 0.71406 0.71711 0.72055 0.72707 0.72894 0.73116 0.73720 0.74230 0.74657 0.75327 0.75538 0.75915 0.76787 0.77177 0.77278 0.77719 0.78018 0.78494 0.78808 0.78902 0.79116 0.79355 0.79940 0.80445 0.80748 0.80940 0.81307 0.81389 0.81548 0.81973 0.82666 0.82804 0.83032 0.83500 0.83605 0.84214 0.85079 0.85322 0.85797 0.85837 0.86275 0.86617 0.87169 0.87522 0.88082 0.88210 0.88653 0.89086 0.90322 0.90625 0.90817 0.91138 0.91570 0.91987 0.92798 0.93109 0.93915 0.94296 0.94906 0.95177 0.95751 0.96219 0.96554 0.97126 0.97456 0.98111 0.98676 0.98951 0.99083 0.99940 1.00093 1.00382 1.01058 1.01400 1.01702 1.01937 1.02328 1.02676 1.03213 1.03471 1.03874 1.04539 1.04966 1.05651 1.05865 1.06699 1.07167 1.07709 1.08550 1.09129 1.09456 1.09881 1.10368 1.11069 1.11741 1.12072 1.12556 1.13199 1.14373 1.14690 1.15198 1.15769 1.16191 1.16456 1.16927 1.17467 1.17554 1.18035 1.18342 1.18546 1.18902 1.19289 1.19786 1.20196 1.20942 1.21871 1.22150 1.22642 1.23130 1.23936 1.24330 1.24721 1.25301 1.25993 1.26868 1.27201 1.27533 1.27727 1.28725 1.29220 1.29698 1.30269 1.30744 1.31264 1.31615 1.33316 1.33816 1.34193 1.35314 1.35373 1.36189 1.36771 1.36985 1.37968 1.38645 1.38846 1.39447 1.39771 1.40650 1.41426 1.42156 1.42334 1.42797 1.43100 1.43244 1.43578 1.44003 1.44212 1.44730 1.44967 1.45454 1.46178 1.46815 1.47317 1.47965 1.48673 1.49278 1.50240 1.50410 1.51250 1.52722 1.53224 1.53920 1.54577 1.54843 1.55694 1.57136 1.57218 1.59054 1.59655 1.59998 1.60606 1.61268 1.62274 1.64822 1.65974 1.66464 1.67145 1.69279 1.69834 1.70733 1.70993 1.72620 1.73132 1.76188 1.76856 1.77582 1.78589 1.79011 1.79548 1.80450 1.80815 1.81187 1.81775 1.82559 1.83373 1.83573 1.83975 1.84399 1.85568 1.86532 1.87134 1.87552 1.87733 1.88815 1.88948 1.89923 1.90537 1.90771 1.91509 1.92758 1.93343 1.94162 1.94255 1.94528 1.94745 1.94940 1.96457 1.97139 1.97550 1.98310 1.98849 1.99175 2.00069 2.00534 2.00988 2.01263 2.01603 2.01742 2.02690 2.03222 2.03678 2.03903 2.04191 2.04639 2.05190 2.05786 2.06136 2.06409 2.07033 2.07452 2.07909 2.08558 2.08765 2.08976 2.10183 2.10537 2.10814 2.11046 2.11873 2.12173 2.12297 2.12966 2.14016 2.14769 2.15358 2.15791 2.16246 2.17160 2.19715 2.19887 2.20238 2.21199 2.21840 2.22404 2.22835 2.23418 2.24672 2.25255 2.26146 2.26350 2.27855 2.28559 2.29311 2.30306 2.30808 2.31705 2.32411 2.32771 2.32946 2.33584 2.34167 2.34722 2.36046 2.36118 2.37930 2.39224 2.40234 2.40925 2.41152 2.41698 2.42039 2.42692 2.42938 2.43206 2.43452 2.43805 2.44205 2.44652 2.44903 2.45474 2.45975 2.46203 2.47288 2.47789 2.48490 2.49077 2.49860 2.50729 2.51375 2.51460 2.51723 2.52096 2.52322 2.52612 2.53422 2.53539 2.54162 2.54757 2.55106 2.55977 2.56823 2.57144 2.57597 2.57956 2.59102 2.59838 2.60136 2.60571 2.60840 2.61139 2.61976 2.62245 2.62543 2.62768 2.63622 2.63856 2.64522 2.64659 2.65003 2.65940 2.66351 2.66574 2.67007 2.67643 2.68103 2.68726 2.69641 2.69944 2.70322 2.71091 2.71731 2.72091 2.72499 2.73490 2.74135 2.74537 2.76040 2.76593 2.76949 2.78076 2.78243 2.78887 2.79504 2.80518 2.80685 2.81433 2.82132 2.82477 2.83647 2.83887 2.84011 2.84356 2.85462 2.86166 2.86733 2.87267 2.88262 2.88864 2.90314 2.91205 2.91737 2.92642 2.93584 2.94064 2.94302 2.96129 2.96519 2.97603 2.98167 3.01116 3.01469 3.01676 3.03549 3.05148 3.05830 3.09498 3.10288 3.11654 3.12086 3.13689 3.15063 3.16226 3.18376 3.21650 3.23947 3.24927 3.25470 3.27237 3.32526 3.32882 3.33446 3.33709 3.34018 3.35029 3.36142 3.37684 3.38013 3.38408 3.38605 3.39720 3.39750 3.40184 3.42476 3.43894 3.44021 3.44951 3.49540 3.50302 3.50477 3.52727 3.53075 3.54027 3.56382 3.56910 3.57779 3.58449 3.59024 3.59475 3.60660 3.60943 3.61242 3.62383 3.64708 3.72524 3.90941 3.94704 3.95110 4.34350 4.38945 4.40232 4.41179 4.41501 4.45047 4.45610 4.46130 4.47598 4.49201 4.50260 4.51258 4.52941 4.53386 4.54688 4.56142 4.56502 4.57768 4.58123 4.61691 4.63003 4.63157 4.64034 4.66519 4.69493 4.72665 4.74069 4.76638 4.79326 4.82701 4.84475 4.91659 4.93943 4.95444 4.96815 5.00735 -19.31857 -14.65035 -14.59734 -14.57479 -10.47543 -10.45509 -10.45391 -10.44912 -10.43257 -10.42378 -10.42276 -10.41789 -10.41359 -10.40060 -10.39280 -10.38662 -10.38499 -10.38000 -10.37983 -10.37672 -10.37642 -10.37290 -10.37269 -10.36981 -10.36909 -10.36891 -10.36886 -10.36800 -10.36790 -10.36669 -10.36500 -10.36415 -10.36300 -10.35768 -10.35476 -10.34612 -1.22011 -1.19335 -1.16319 -1.15212 -1.04229 -1.03258 -1.02817 -1.00375 -0.99001 -0.97418 -0.95581 -0.93857 -0.92408 -0.92274 -0.91540 -0.91059 -0.90683 -0.90226 -0.88431 -0.85410 -0.82959 -0.81360 -0.80539 -0.79392 -0.78074 -0.77574 -0.76952 -0.76455 -0.76284 -0.75818 -0.74943 -0.72729 -0.71752 -0.69954 -0.69432 -0.68378 -0.67923 -0.67024 -0.66108 -0.65092 -0.64153 -0.63778 -0.63386 -0.62535 -0.62336 -0.61309 -0.61048 -0.60905 -0.60441 -0.59366 -0.58822 -0.58662 -0.58607 -0.58104 -0.57791 -0.57471 -0.57271 -0.56795 -0.56576 -0.56288 -0.55796 -0.55199 -0.54796 -0.53854 -0.53267 -0.52742 -0.52309 -0.51767 -0.51678 -0.51183 -0.51089 -0.50696 -0.50398 -0.49637 -0.49154 -0.48924 -0.48717 -0.48590 -0.48284 -0.48092 -0.47508 -0.46569 -0.44258 -0.41598 -0.40332 -0.40191 -0.40167 -0.39084 -0.38778 -0.36844 -0.14869 -0.04574 -0.03454 -0.02344 -0.01678 -0.01290 -0.00937 -0.00124 0.01072 0.02108 0.02421 0.02797 0.03574 0.04000 0.04251 0.04303 0.04447 0.04940 0.05149 0.05402 0.05513 0.05583 0.05739 0.06404 0.06606 0.06697 0.06839 0.07197 0.07350 0.07652 0.08262 0.08436 0.08680 0.08816 0.08999 0.09159 0.09609 0.09893 0.10050 0.10178 0.10271 0.10558 0.11014 0.11101 0.11342 0.11576 0.11768 0.11850 0.12163 0.12331 0.12610 0.12979 0.13116 0.13496 0.13741 0.13787 0.14065 0.14332 0.14582 0.14701 0.14813 0.15174 0.15226 0.15407 0.15430 0.15702 0.15999 0.16135 0.16279 0.16674 0.16893 0.17101 0.17233 0.17347 0.17633 0.17694 0.17991 0.18107 0.18404 0.18732 0.18815 0.18834 0.19383 0.19513 0.19572 0.19739 0.19943 0.19981 0.20378 0.20606 0.20806 0.21110 0.21232 0.21366 0.21603 0.21691 0.21894 0.21975 0.22109 0.22298 0.22367 0.22513 0.22906 0.22971 0.23109 0.23216 0.23444 0.23504 0.23619 0.24033 0.24161 0.24751 0.24812 0.24981 0.25263 0.25478 0.25623 0.25766 0.25938 0.26059 0.26145 0.26427 0.26582 0.26717 0.26804 0.26872 0.26988 0.27223 0.27425 0.27684 0.27745 0.28078 0.28357 0.28536 0.28865 0.29054 0.29207 0.29333 0.29507 0.29658 0.29767 0.30084 0.30142 0.30386 0.30652 0.30961 0.31083 0.31142 0.31307 0.31444 0.31854 0.32218 0.32295 0.32456 0.32784 0.32820 0.33095 0.33186 0.33235 0.33522 0.33841 0.33950 0.33998 0.34262 0.34523 0.34719 0.35274 0.35595 0.35854 0.36241 0.36485 0.36709 0.36964 0.37138 0.37199 0.37475 0.37554 0.37748 0.37959 0.38328 0.38645 0.38916 0.39111 0.39425 0.40210 0.40318 0.40510 0.41029 0.41192 0.41321 0.41423 0.41899 0.42166 0.42374 0.42523 0.42932 0.43387 0.44297 0.44567 0.44735 0.44778 0.45044 0.45618 0.45972 0.46184 0.46742 0.47423 0.47630 0.48117 0.48781 0.48910 0.49267 0.50283 0.51263 0.51631 0.52454 0.52938 0.53461 0.54622 0.55358 0.56980 0.57860 0.61029 0.62024 0.62394 0.64458 0.66178 0.67098 0.67280 0.68759 0.69337 0.70058 0.70424 0.71024 0.71536 0.71898 0.72286 0.72816 0.73240 0.73411 0.73798 0.74361 0.74782 0.75432 0.75770 0.76122 0.77045 0.77263 0.77658 0.77776 0.78157 0.78558 0.78963 0.79015 0.79207 0.79633 0.80142 0.80697 0.80967 0.81016 0.81343 0.81603 0.81740 0.82183 0.82762 0.82946 0.83190 0.83735 0.83778 0.84352 0.85343 0.85482 0.85981 0.86052 0.86747 0.86867 0.87544 0.87694 0.88211 0.88533 0.88862 0.89203 0.90419 0.90802 0.91161 0.91334 0.91676 0.92190 0.92932 0.93388 0.94019 0.94648 0.94940 0.95241 0.95873 0.96413 0.96974 0.97266 0.97856 0.98165 0.98766 0.98984 0.99254 1.00003 1.00164 1.00596 1.01135 1.01485 1.01772 1.02124 1.02446 1.02736 1.03282 1.03573 1.04005 1.04659 1.05026 1.05756 1.06031 1.06787 1.07249 1.07937 1.08670 1.09359 1.09585 1.10029 1.10500 1.11318 1.11960 1.12377 1.12645 1.13284 1.14511 1.14835 1.15390 1.15996 1.16421 1.16568 1.17251 1.17656 1.17677 1.18197 1.18450 1.18672 1.19084 1.19369 1.19892 1.20345 1.21038 1.22019 1.22330 1.22831 1.23312 1.24064 1.24621 1.24838 1.25389 1.26126 1.26972 1.27311 1.27773 1.28028 1.28876 1.29535 1.30007 1.30541 1.30906 1.31415 1.31835 1.33479 1.34058 1.34322 1.35551 1.35611 1.36336 1.36895 1.37184 1.38096 1.38806 1.39083 1.39517 1.40092 1.40826 1.41572 1.42320 1.42538 1.42862 1.43337 1.43411 1.43794 1.44250 1.44287 1.44843 1.45020 1.45530 1.46291 1.46929 1.47476 1.48096 1.48900 1.49426 1.50358 1.50637 1.51537 1.52833 1.53485 1.54506 1.54991 1.55182 1.56341 1.57774 1.58109 1.59239 1.60122 1.60490 1.61318 1.61933 1.62380 1.65022 1.66282 1.66592 1.67521 1.69570 1.69946 1.70808 1.71180 1.72976 1.73312 1.76277 1.77005 1.77988 1.78933 1.79278 1.79878 1.80489 1.80928 1.81281 1.82077 1.82667 1.83451 1.83789 1.84242 1.84455 1.85742 1.86584 1.87391 1.87774 1.87829 1.88956 1.89181 1.90121 1.90735 1.90891 1.91734 1.93207 1.93486 1.94347 1.94415 1.94841 1.94993 1.95193 1.96747 1.97361 1.97735 1.98433 1.99153 1.99238 2.00161 2.00598 2.01214 2.01648 2.01783 2.02168 2.02860 2.03522 2.03783 2.04056 2.04458 2.04692 2.05256 2.05821 2.06224 2.06579 2.07131 2.07922 2.08503 2.08601 2.09132 2.09690 2.10321 2.10664 2.11015 2.11430 2.12272 2.12386 2.12511 2.13674 2.14152 2.15201 2.15653 2.16210 2.16456 2.17648 2.19765 2.20187 2.20307 2.21506 2.22030 2.22690 2.22948 2.23521 2.25294 2.25489 2.26373 2.26490 2.28066 2.28822 2.29370 2.30609 2.31026 2.31858 2.32480 2.32796 2.33207 2.33946 2.34224 2.34842 2.36135 2.36375 2.37995 2.39502 2.40380 2.41106 2.41309 2.41893 2.42130 2.42806 2.43018 2.43242 2.43498 2.43834 2.44218 2.44671 2.44947 2.45621 2.46243 2.46315 2.47476 2.48036 2.48516 2.49297 2.50056 2.51066 2.51492 2.51861 2.51901 2.52123 2.52491 2.52943 2.53515 2.53631 2.54229 2.55061 2.55231 2.56313 2.56885 2.57311 2.57895 2.58049 2.59233 2.59900 2.60259 2.60702 2.61065 2.61200 2.62046 2.62650 2.62829 2.63528 2.64011 2.64204 2.64638 2.64873 2.65119 2.66110 2.66632 2.66866 2.67225 2.67752 2.68271 2.68966 2.69747 2.70105 2.70512 2.71503 2.71862 2.72295 2.72693 2.73826 2.74320 2.74693 2.76330 2.76731 2.76998 2.78135 2.78522 2.78964 2.79882 2.80570 2.80730 2.81543 2.82266 2.82533 2.83881 2.83984 2.84204 2.84544 2.85543 2.86310 2.86852 2.87453 2.88305 2.88942 2.90373 2.91514 2.91859 2.92666 2.93670 2.94272 2.94434 2.96244 2.96597 2.97647 2.98455 3.01309 3.01653 3.01851 3.03654 3.05254 3.05980 3.09581 3.10425 3.11721 3.12146 3.13721 3.15130 3.16399 3.18642 3.21928 3.23964 3.25050 3.25537 3.27373 3.32595 3.32885 3.33485 3.33722 3.34030 3.35037 3.36145 3.37685 3.38031 3.38500 3.38620 3.39733 3.39838 3.40204 3.43157 3.43974 3.44048 3.45062 3.49578 3.50395 3.50723 3.52995 3.53152 3.54035 3.56405 3.57695 3.57814 3.58454 3.59131 3.59507 3.60753 3.60966 3.61434 3.62643 3.64711 3.72768 3.91032 3.94705 3.95118 4.34688 4.39161 4.40542 4.41269 4.41713 4.45184 4.45921 4.46631 4.47679 4.49468 4.50510 4.52166 4.53062 4.53524 4.54804 4.56315 4.56548 4.58118 4.58452 4.62283 4.63123 4.64016 4.64332 4.66955 4.69827 4.73660 4.74115 4.77076 4.79351 4.83082 4.84546 4.91698 4.93954 4.95489 4.97146 5.00903 -1.57658143e+01 -8.88334930e+00 -1.34952680e+01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -40.0727 -22.5792 -34.3015 57.3780 23.9301 -95.3243 -25.8041 97.6702 173.2256 67.0349 56.3295 -62.9249 6.5953 97.6702 173.2256 67.0349 278.0657 830.2513 382.6731 269.4299 -98.1515 -607.8889 -406.1095 45.2789 231.0898 -414.0550 -11949.8856 -7670.3818 -8271.4917 462.2984 -316.2158 -2353.7631 -1026.9127 -997.6706 620.3274 -3570.8734 121.3910 -2827.1101 2134.1241 -985.8915 1263.5125 0 -1479.1787859 2.021696 0. 2.000226 4.174E-9 9.037E-4 41.8796291,-46.783089,4.9034599,72.6154294,128.7889574,49.838831 C01 [X(C32H35N3O1)] -4.4708584 -0.8500844 -4.6545176 0.001027411 0.000025631 -0.000869215 0.000317008 -0.000105046 -0.000810199 0.000907063 0.000251936 0.000247203 -0.000778373 -0.000203713 -0.000360037 0.000156838 0.000506219 -0.000003831 -0.000537101 -0.001025100 -0.000220945 -0.002387140 -0.005297054 0.003978482 -0.001284968 0.002991213 0.002687415 -0.000157224 0.000091472 -0.000178419 0.000013589 0.000157727 -0.000011885 -0.000285068 -0.000076831 0.000111428 -0.000046349 -0.000008137 0.000116093 0.001052752 0.000554027 0.002755159 0.000487502 0.000293657 -0.000789788 -0.000647797 0.000905077 -0.000658350 0.000237485 -0.000023076 0.000047782 -0.000206608 -0.000392649 -0.000025791 -0.000033704 -0.000085572 -0.000082885 0.000177794 -0.000042325 -0.000050513 -0.000287423 -0.000315460 0.000020180 0.000037617 -0.000027223 0.000124994 0.000218685 0.000044303 0.000127320 0.005026904 -0.001134138 -0.005489256 -0.000341624 -0.000146447 0.000466180 -0.001613879 0.004093346 -0.001572598 0.000128827 -0.000142107 0.000592673 -0.000091104 -0.000260111 0.000348249 -0.001806025 0.000161254 0.000325412 0.000083870 -0.000563952 -0.000494466 0.000559063 0.000337862 0.000134763 -0.000127071 -0.000468150 0.000105882 -0.000143421 0.000585850 0.000305600 0.000288615 -0.000364242 -0.000280145 -0.000246532 0.000372550 0.000329584 0.000324350 -0.000328324 -0.000358145 -0.000399029 0.000402951 0.000371421 0.000209249 -0.000874080 -0.000436632 0.000092392 -0.000088082 -0.000117757 0.000032169 0.000001548 -0.000046842 -0.000158929 0.000147361 0.000150422 -0.000026457 -0.000070616 -0.000003796 -0.000022028 0.000069590 0.000032228 0.000069546 0.000304710 0.000085000 -0.000006823 -0.000035062 -0.000120966 -0.000192949 -0.000258365 -0.000367210 -0.000024277 0.000015869 0.000004033 -0.000121363 -0.000246462 -0.000059204 0.000187046 0.000097625 0.000100818 0.000311113 0.000100886 -0.000031142 0.000214901 0.000111351 -0.000068163 0.000035292 -0.000043969 -0.000061849 -0.000035996 0.000245073 0.000334446 -0.000007362 0.000029547 0.000062422 -0.000061947 -0.000060890 -0.000005882 0.000010461 -0.000004986 -0.000054153 -0.000026953 -0.000169818 -0.000176460 0.000072492 0.000007310 -0.000066538 -0.000079075 -0.000149771 0.000056663 -0.000082931 -0.000058215 -0.000093198 -0.000030612 -0.000044182 0.000009329 0.000001954 0.000097479 0.000027407 0.000079929 -0.000024852 -0.000096206 0.000035636 0.000127269 0.000099577 -0.000011356 -0.000008242 -0.000005440 0.000014889 0.000016955 0.000007122 0.000014868 0.000013720 -0.000032174 -0.000013516 -0.000018122 0.000074368 -0.000040184 -0.000022330 -0.000004728 0.000059526 -0.000020492 -0.000041501 -0.000069207 0.000018647 -0.000143284 -0.000054434 0.000028179 0.000049937 442.3618999999997 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;15;17;20;23;25;28;32;33;34;35;36;37;43;45;47;48;49;50;52;54;58;59;60;63;13;30;70;16;9;10;11;12;14;18;19;21;22;24;26;27;29;31;38;39;40;41;42;44;46;51;53;55;56;57;61;62;64;65;66;67;68;69;71/rA:71nC0C0C0C0C0C0C0C0H0H0H0H0N0H0C0O0C0H0H0C0H0H0C0H0C0H0H0C0H0N0H0C0C0C0C0C0C0H0H0H0H0H0C0H0C0H0C0C0C0C0H0C0H0C0H0H0H0C0C0C0H0H0C0H0H0H0H0H0H0N0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.6703,-2.127,-.6118;-.4509,-1.9006,-1.4678;-.6066,-.6313,-2.0711;.3387,.3405,-1.8329;1.45,.0828,-.9975;1.6329,-1.138,-.3753;-.5779,-4.0993,-.5903;-1.2151,-3.0971,-1.5057;-1.4454,-.3863,-2.7112;.2316,1.317,-2.2908;2.1815,.8684,-.8393;2.4812,-1.3336,.2645;.6112,-3.4076,-.1162;-.2759,-4.9908,-1.1549;1.4628,-4.0196,.8053;2.4751,-3.4773,1.2031;.9605,-5.3734,1.2346;1.1091,-6.0768,.4066;1.5807,-5.7113,2.0648;-.5215,-5.318,1.6471;-.5894,-4.8033,2.6093;-.88,-6.336,1.8117;-1.4546,-4.5929,.6311;-2.1548,-5.3153,.1999;-2.2158,-3.4885,1.2689;-1.7109,-2.7872,1.9262;-3.2346,-3.2669,.968;-2.4019,-3.3988,-2.1647;-2.8781,-4.356,-1.9716;-3.047,-2.5974,-3.0027;-2.6616,-1.6836,-3.2099;-2.9674,-.1347,-5.1365;-4.1863,-.5425,-4.5834;-4.948,.3797,-3.8573;-4.4907,1.6814,-3.6794;-3.2653,2.0753,-4.217;-2.5052,1.1675,-4.948;-2.3744,-.8344,-5.7189;-5.9008,.0976,-3.4205;-5.0918,2.3877,-3.1179;-2.9106,3.0902,-4.0725;-1.5566,1.4675,-5.38;-4.5995,-1.9904,-4.7573;-3.9731,-2.4352,-5.5359;-4.4081,-2.849,-3.4621;-4.4576,-3.903,-3.751;-5.4333,-2.6146,-2.3613;-6.561,-3.4394,-2.2993;-5.2661,-1.6159,-1.3969;-7.5316,-3.2406,-1.3189;-6.6713,-4.2666,-2.995;-6.2307,-1.4235,-.4131;-4.3803,-.9886,-1.4021;-7.3698,-2.2273,-.3778;-8.3999,-3.8894,-1.2816;-6.0895,-.6462,.3309;-8.1191,-2.0749,.3918;-6.3301,-1.1513,-6.4038;-6.3768,-3.517,-5.7751;-7.3246,-1.9039,-7.2683;-5.3952,-.9712,-6.937;-6.69,-.2155,-5.9816;-6.7762,-3.329,-7.2351;-7.2135,-3.8663,-5.1714;-5.5272,-4.183,-5.6353;-8.3298,-1.857,-6.8387;-7.3612,-1.4817,-8.2733;-7.5056,-4.0815,-7.5359;-5.9027,-3.4182,-7.8866;-6.0109,-2.1178,-5.267;-6.6405,-1.905,-4.4872;