Gaussian 16 20-Jun-2026 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 25 25 35 35 503 (5D, 7F) def2TZVPP 69 C1[X(C9H16)] UwB97XD def2TZVPP Stability #p uwb97xd/def2TZVPP stable=opt guess=(mix,always) Int=UltraFine 108.0963 0 1 AuxInfo=1/0/N:1;4;9;10;11;12;13;16;19;2;3;5;6;7;8;14;15;17;18;20;21;22;23;24;25/rA:25nC0H0H0C0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.033,-.0785,-.016;-2.1025,-.0016,-1.1032;-2.014,.8228,.6015;-3.9804,-.0479,.0896;-4.2375,-.1211,1.1533;-4.3032,.9031,-.3513;-4.3352,-.913,-.4835;-2.0288,-1.0592,.4601;-.1465,-.044,-.0938;.3711,1.2978,-.6367;.5498,-.1136,1.2721;.4975,-1.1176,-.8481;1.8664,1.2395,-.1814;.2593,1.3827,-1.7276;-.1614,2.1487,-.1762;1.9566,-.0621,.661;.3422,-1.0454,1.8209;.3169,.7455,1.9214;1.8895,-1.288,-.2811;.2502,-1.3328,-1.8926;2.5639,1.223,-1.0328;2.128,2.1123,.4354;2.8033,-.0758,1.3628;2.0325,-2.2277,.2874;2.6613,-1.2757,-1.069; /opt/g16/c02-avx2/g16/g16 /opt/g16/c02-avx2/g16/l1.exe "/fast/scratch/foo/job_724_A-TS-ethane-ABO-fo_tight_redo_stableSP/Gau-39944.inp" -scrdir="/fast/scratch/foo/job_724_A-TS-ethane-ABO-fo_tight_redo_stableSP/" nproc=64 mem=480GB #p uwb97xd/def2TZVPP stable=opt guess=(mix,always) Int=UltraFine 1/38=1,172=1/1 2/12=2,17=6,18=5,40=1/2 3/5=44,7=202,11=2,25=1,30=1,74=-58,75=-5,116=2/1,2,3 4/13=-1/1 5/5=2,38=5/2 6/7=2,8=2,9=2,10=2,28=1/1 8/6=1,10=90,11=11/1 9/8=-3,42=1,46=1/14 5/5=2,8=3,17=40,38=5/8(-2) 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 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 12 1 1 12 1 1 1 1 12 12 12 12 12 1 1 12 1 1 12 1 1 1 1 1 1 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 1 1 0 1 1 1 1 0 0 0 0 0 1 1 0 1 1 0 1 1 1 1 1 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 (Enter /opt/g16/c02-avx2/g16/l101.exe) 0.10000e-02 0.10000e-05 F 564 A 503 A 731 564 469.5400414468 25 1.00e+00 60 F 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. One-electron integral symmetry used in STVInt Grimme-D2 -0.0177993978 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 108.0963 AuxInfo=1/0/N:1;4;9;10;11;12;13;16;19;2;3;5;6;7;8;14;15;17;18;20;21;22;23;24;25/rA:25nC0H0H0C0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.033,-.0785,-.016;-2.1025,-.0017,-1.1032;-2.014,.8228,.6015;-3.9804,-.0479,.0895;-4.2375,-.1211,1.1533;-4.3032,.9031,-.3513;-4.3352,-.913,-.4835;-2.0288,-1.0592,.4601;-.1465,-.044,-.0938;.3711,1.2978,-.6367;.5498,-.1136,1.2721;.4975,-1.1175,-.8481;1.8664,1.2395,-.1814;.2593,1.3827,-1.7276;-.1614,2.1487,-.1762;1.9565,-.0621,.661;.3422,-1.0454,1.8209;.3169,.7455,1.9214;1.8895,-1.288,-.2811;.2502,-1.3328,-1.8926;2.5639,1.223,-1.0327;2.128,2.1123,.4354;2.8033,-.0758,1.3628;2.0325,-2.2277,.2874;2.6613,-1.2757,-1.0689; 0.000000 1.092191 0.000000 1.092730 1.895720 0.000000 1.950446 2.225124 2.210611 0.000000 2.495719 3.108750 2.477735 1.096864 0.000000 2.495977 2.495422 2.480886 1.096818 1.821349 0.000000 2.492956 2.489827 3.094850 1.096671 1.820991 1.821188 0.000000 1.090108 1.888844 1.887366 2.229048 2.497756 3.111595 2.496231 0.000000 1.888474 2.201553 2.173157 3.838286 4.277559 4.271063 4.295603 2.209192 0.000000 2.838919 2.832860 2.729035 4.612344 5.143582 4.699639 5.201932 3.538067 1.537242 0.000000 2.886389 3.562224 2.810628 4.682422 4.788721 5.217363 5.252057 2.864018 1.534712 2.380662 0.000000 2.859347 2.840890 3.489188 4.698425 5.236323 5.232342 4.850773 2.845567 1.461578 2.427885 2.346481 0.000000 4.119451 4.259385 3.980467 5.992938 6.394500 6.181109 6.571425 4.568127 2.388847 1.564149 2.382632 2.806010 0.000000 3.212420 2.807918 3.302471 4.829425 5.548158 4.789643 5.284582 3.998027 2.206705 1.099939 3.364788 2.661120 2.234766 0.000000 2.913658 3.041651 2.407322 4.413686 4.851222 4.328663 5.185480 3.766003 2.194315 1.104355 2.778713 3.399120 2.222259 1.780651 0.000000 4.046646 4.426304 4.068430 5.964394 6.213850 6.414148 6.451351 4.113119 2.234451 2.459040 1.534671 2.349474 1.552965 3.267042 3.173937 0.000000 3.154512 3.951819 3.244888 4.762131 4.719529 5.485975 5.215978 2.733852 2.215346 3.395782 1.101149 2.674483 3.398947 4.300551 3.800577 2.217744 0.000000 3.155122 3.944673 2.679825 4.738374 4.699321 5.151314 5.493325 3.300751 2.213409 2.617593 1.101761 3.342726 2.658288 3.704696 2.568557 2.220196 1.793955 0.000000 4.113288 4.273943 4.524573 6.010858 6.399895 6.569284 6.239229 3.994328 2.393244 3.019632 2.363554 1.512623 2.529503 3.447107 4.003450 1.547505 2.621261 3.385102 0.000000 3.210654 2.816115 3.999271 4.845414 5.557474 5.301792 4.815370 3.286960 2.248106 2.917514 3.404639 1.094744 3.486622 2.720491 3.903360 3.323689 3.725735 4.344010 2.299152 0.000000 4.884642 4.824979 4.877354 6.760365 7.269417 6.908292 7.243030 5.341343 3.135782 2.229560 3.339996 3.127617 1.100740 2.412434 3.002970 2.211073 4.269031 3.742170 2.706408 3.553065 0.000000 4.724177 4.973306 4.341304 6.488346 6.784023 6.591055 7.195122 5.228600 3.178551 2.213500 2.854060 3.838997 1.100360 2.950141 2.369924 2.192780 3.883285 2.712248 3.483140 4.562278 1.771004 0.000000 5.029019 5.491252 4.959189 6.902186 7.044020 7.375574 7.420761 5.013101 3.289966 3.435158 2.255659 3.360046 2.234332 4.260290 4.013211 1.099880 2.684535 2.677400 2.237606 4.323872 2.735454 2.470598 0.000000 4.608623 4.897698 5.077249 6.398855 6.670829 7.095868 6.547534 4.229587 3.108312 4.005396 2.763573 2.208595 3.502617 4.498836 4.917363 2.198873 2.570228 3.801687 1.107558 2.954632 3.732566 4.343555 2.526096 0.000000 4.957737 4.931407 5.390106 6.852893 7.339298 7.332637 7.030340 4.937854 3.217417 3.472012 3.360018 2.180784 2.783091 3.642908 4.526697 2.227579 3.712455 4.303908 1.103022 2.548553 2.500790 3.745133 2.715390 1.772425 0.000000 C9H16 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 108.0963 AuxInfo=1/0/N:1;4;9;10;11;12;13;16;19;2;3;5;6;7;8;14;15;17;18;20;21;22;23;24;25/rA:25nC0H0H0C0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.033,-.0785,-.016;-2.1025,-.0017,-1.1032;-2.014,.8228,.6015;-3.9804,-.0479,.0895;-4.2375,-.1211,1.1533;-4.3032,.9031,-.3513;-4.3352,-.913,-.4835;-2.0288,-1.0592,.4601;-.1465,-.044,-.0938;.3711,1.2978,-.6367;.5498,-.1136,1.2721;.4975,-1.1175,-.8481;1.8664,1.2395,-.1814;.2593,1.3827,-1.7276;-.1614,2.1487,-.1762;1.9565,-.0621,.661;.3422,-1.0454,1.8209;.3169,.7455,1.9214;1.8895,-1.288,-.2811;.2502,-1.3328,-1.8926;2.5639,1.223,-1.0327;2.128,2.1123,.4354;2.8033,-.0758,1.3628;2.0325,-2.2277,.2874;2.6613,-1.2757,-1.0689; 3.1328051 0.9376125 0.8747374 -10.29644 -10.29436 -10.28703 -10.28168 -10.28129 -10.27940 -10.27581 -10.27349 -10.26797 -0.97860 -0.84045 -0.82846 -0.79598 -0.78425 -0.72635 -0.68265 -0.63931 -0.59867 -0.56383 -0.55545 -0.53376 -0.52227 -0.51959 -0.47947 -0.46122 -0.45875 -0.44767 -0.43942 -0.42069 -0.41114 -0.40952 -0.40144 -0.39012 -0.38128 -0.22876 0.02584 0.10150 0.11754 0.14108 0.14660 0.15784 0.16407 0.16905 0.17321 0.18040 0.18362 0.18949 0.19408 0.20415 0.21547 0.21862 0.22502 0.23098 0.24541 0.25066 0.26076 0.27336 0.27642 0.27896 0.29589 0.30002 0.30407 0.31453 0.32099 0.32510 0.34155 0.35397 0.37450 0.38637 0.38928 0.40377 0.40946 0.41527 0.43594 0.44105 0.44705 0.46336 0.46647 0.47406 0.48616 0.48952 0.49304 0.50200 0.50810 0.50898 0.51744 0.52303 0.52748 0.53371 0.53995 0.54458 0.54523 0.54992 0.55298 0.55897 0.56455 0.57069 0.57918 0.58687 0.59555 0.60101 0.61084 0.62697 0.64974 0.65878 0.67054 0.71410 0.71654 0.73666 0.74175 0.76966 0.78463 0.80390 0.81129 0.82238 0.83585 0.84641 0.85408 0.87096 0.90094 0.91517 0.91867 0.93272 0.94274 0.95688 0.96520 0.98773 0.99603 0.99885 1.00652 1.01405 1.02413 1.02640 1.04586 1.04780 1.07313 1.08663 1.09514 1.10019 1.10332 1.11569 1.13418 1.13865 1.14920 1.16121 1.16677 1.17100 1.17205 1.18384 1.19674 1.21296 1.23641 1.23797 1.24463 1.25598 1.28284 1.28645 1.29078 1.30026 1.30437 1.31847 1.33244 1.34253 1.35657 1.36064 1.36940 1.38874 1.39851 1.41213 1.41882 1.42461 1.44229 1.44487 1.45824 1.46597 1.47331 1.48381 1.48585 1.49289 1.51517 1.51967 1.52419 1.52960 1.53603 1.54177 1.54536 1.55465 1.56695 1.57533 1.58640 1.58883 1.60342 1.61482 1.62105 1.64016 1.65283 1.67885 1.68854 1.70386 1.72038 1.73886 1.74838 1.75803 1.78855 1.80123 1.81354 1.83407 1.84388 1.84702 1.87839 1.88978 1.91186 1.94206 1.96390 1.99091 2.00287 2.02909 2.06823 2.08844 2.12808 2.16576 2.19044 2.23078 2.27443 2.28037 2.30056 2.33609 2.37691 2.40087 2.41717 2.43577 2.45347 2.46329 2.49061 2.50094 2.52650 2.54556 2.56217 2.56812 2.57767 2.60857 2.61814 2.63255 2.65289 2.66856 2.67515 2.68859 2.70951 2.71535 2.73978 2.75417 2.77393 2.78543 2.79235 2.81220 2.81415 2.83472 2.85683 2.86530 2.87855 2.88790 2.90889 2.90964 2.91718 2.92618 2.93876 2.95157 2.97068 2.97647 2.98620 2.99968 3.01400 3.02579 3.03099 3.03575 3.05490 3.06645 3.06708 3.08950 3.10394 3.11081 3.11745 3.13712 3.15519 3.16389 3.17002 3.18336 3.19088 3.21007 3.21736 3.23459 3.25198 3.25507 3.27445 3.28260 3.28881 3.32319 3.33905 3.34117 3.35400 3.36240 3.36947 3.37247 3.37908 3.38566 3.39511 3.41985 3.43117 3.43856 3.44052 3.45387 3.46283 3.47109 3.48056 3.50080 3.50405 3.51219 3.52368 3.54549 3.54911 3.56406 3.57082 3.57515 3.58493 3.59747 3.61273 3.62720 3.64753 3.65648 3.66577 3.68409 3.69668 3.69866 3.70228 3.72862 3.73212 3.74732 3.75595 3.75911 3.76566 3.77441 3.78401 3.79918 3.80307 3.83061 3.85201 3.86292 3.87239 3.87927 3.88983 3.90499 3.91547 3.91960 3.94131 3.95412 3.96613 3.97325 3.98404 3.98752 4.00031 4.00589 4.01285 4.01592 4.02490 4.03738 4.04610 4.05696 4.06271 4.07611 4.09187 4.09678 4.10108 4.12487 4.13058 4.13329 4.14001 4.14918 4.15941 4.17501 4.18376 4.19826 4.20284 4.22034 4.22345 4.23705 4.25101 4.25504 4.26719 4.28152 4.29088 4.30337 4.31243 4.33368 4.34231 4.35470 4.35913 4.39241 4.40657 4.42946 4.43417 4.45144 4.47218 4.47535 4.48705 4.50149 4.52717 4.53738 4.54763 4.56419 4.57080 4.58586 4.59236 4.61184 4.62778 4.63013 4.64981 4.65207 4.68092 4.69194 4.69908 4.71437 4.73517 4.74779 4.75979 4.79163 4.80403 4.80817 4.81260 4.81904 4.84101 4.85963 4.87877 4.89947 4.91785 4.93072 4.95829 4.96832 5.01517 5.02212 5.02800 5.04039 5.05082 5.05658 5.06587 5.08256 5.08914 5.10267 5.13776 5.15186 5.16959 5.17078 5.19629 5.20683 5.20932 5.22063 5.23626 5.25965 5.27006 5.30088 5.30524 5.33338 5.34308 5.34839 5.37904 5.39306 5.40790 5.41595 5.42280 5.42330 5.46803 5.50610 5.53334 5.54382 5.56531 5.57099 5.59254 5.61761 5.62732 5.64611 5.65294 5.65970 5.66881 5.67520 5.70304 5.72168 5.73542 5.77448 5.79245 5.85303 5.90796 5.92960 5.94118 5.97883 6.21493 22.90680 23.08485 23.39661 23.44824 23.50125 23.54868 23.59617 23.62764 24.22443 -10.29836 -10.28699 -10.28665 -10.28267 -10.28085 -10.27908 -10.27848 -10.27377 -10.26749 -0.97944 -0.83886 -0.82970 -0.79404 -0.78364 -0.71497 -0.69066 -0.64027 -0.60585 -0.56503 -0.54555 -0.53960 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1.15960 1.16482 1.17086 1.17204 1.18463 1.19675 1.21313 1.23619 1.23936 1.24530 1.25646 1.28085 1.28470 1.29064 1.30360 1.30594 1.31585 1.33199 1.34323 1.35341 1.36230 1.36889 1.38844 1.39859 1.41277 1.41995 1.42388 1.44122 1.44586 1.45902 1.46669 1.47421 1.48519 1.48664 1.49365 1.51396 1.51943 1.52454 1.53131 1.53722 1.54281 1.54596 1.55503 1.56686 1.57614 1.58572 1.58866 1.60483 1.61776 1.62239 1.64763 1.65346 1.67976 1.69002 1.70537 1.71909 1.73757 1.74708 1.75480 1.78822 1.80120 1.81306 1.83151 1.84415 1.85340 1.87834 1.89078 1.91382 1.94497 1.96312 1.97930 1.99920 2.02825 2.06890 2.08300 2.12470 2.16395 2.18898 2.22989 2.27109 2.28023 2.30135 2.33772 2.37709 2.39740 2.41598 2.43671 2.46091 2.46592 2.49059 2.50257 2.52633 2.54601 2.56197 2.56896 2.58246 2.60821 2.62299 2.63308 2.65418 2.66892 2.67533 2.68885 2.70914 2.71772 2.74120 2.74944 2.77341 2.78369 2.79194 2.80980 2.81180 2.83158 2.85603 2.86556 2.87628 2.88900 2.90757 2.91333 2.91817 2.92845 2.94143 2.95265 2.97011 2.97573 2.98727 2.99865 3.01530 3.02821 3.03203 3.03905 3.05666 3.06460 3.06841 3.09172 3.10726 3.11156 3.11951 3.13280 3.15390 3.16499 3.16668 3.18221 3.19309 3.21627 3.22517 3.24366 3.25180 3.25637 3.27424 3.28327 3.28615 3.32197 3.33810 3.34106 3.35534 3.35715 3.36897 3.37315 3.37788 3.38515 3.39533 3.42106 3.42825 3.43304 3.43576 3.45449 3.46530 3.46919 3.47825 3.50050 3.50628 3.51175 3.52057 3.54627 3.55014 3.56396 3.56947 3.57658 3.58606 3.60356 3.61799 3.62752 3.64836 3.65528 3.66756 3.68538 3.69624 3.69827 3.70179 3.72729 3.73243 3.74814 3.75784 3.75891 3.76911 3.77457 3.78276 3.79925 3.80178 3.83049 3.85248 3.86260 3.87209 3.87746 3.88861 3.90440 3.91703 3.91757 3.94308 3.95434 3.96572 3.97267 3.98182 3.98806 4.00128 4.00688 4.01337 4.01710 4.02203 4.03861 4.04633 4.05913 4.06348 4.07637 4.09194 4.09551 4.10230 4.12433 4.13034 4.13377 4.14192 4.15215 4.16014 4.17610 4.18351 4.19887 4.20530 4.22166 4.22376 4.23697 4.25064 4.25496 4.26714 4.28002 4.28921 4.30403 4.31337 4.33558 4.34171 4.35645 4.36130 4.39151 4.40696 4.43012 4.43651 4.45292 4.47426 4.47832 4.48667 4.50103 4.52954 4.53703 4.54767 4.56295 4.57348 4.58362 4.59317 4.61440 4.63126 4.63269 4.65152 4.65401 4.68414 4.69611 4.69862 4.71595 4.73783 4.74859 4.76013 4.79038 4.80485 4.80926 4.81458 4.82004 4.84139 4.86048 4.87912 4.89808 4.91997 4.92813 4.95687 4.96771 5.01215 5.02051 5.03027 5.04165 5.05225 5.05619 5.06924 5.08199 5.08902 5.10450 5.13689 5.14555 5.16623 5.17023 5.19562 5.20641 5.21330 5.22378 5.23759 5.25851 5.27166 5.30016 5.30748 5.33523 5.34351 5.35425 5.37948 5.39683 5.41070 5.42299 5.42459 5.42646 5.46726 5.50342 5.53294 5.54064 5.56260 5.57140 5.59062 5.61724 5.62756 5.64757 5.65533 5.66263 5.67304 5.67817 5.70276 5.72111 5.73570 5.77410 5.79163 5.85191 5.90750 5.93036 5.94131 5.98102 6.21738 22.91523 23.06820 23.39713 23.44892 23.50193 23.56050 23.59536 23.62749 24.22302 1-A. 0.6026 0.3799 0.0330 0.7132 -62.2350 -59.2393 -57.4216 -0.2394 0.0956 0.0777 -2.6030 0.3927 2.2103 -0.2394 0.0956 0.0777 27.4995 2.8526 -2.4243 -0.8338 -0.6755 -1.3068 -0.0494 -0.3282 3.0877 0.1642 -1670.2756 -384.0668 -260.9525 -0.4951 4.7875 -0.9738 -1.0516 -1.6646 1.4344 -313.2273 -290.2089 -104.7258 0.8794 3.2386 0.6869 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= 562 562 562 562 562 MxSgAt= 25 MxSgA2= 25. 1 open 1 0 1 -352.285093747072 -352.341889725187 -0.056795978116 -352.399045215990 -0.057155490803 -352.405637189970 -0.006591973979 -352.406397766173 -0.000760576204 -352.406665588285 -0.000267822111 -352.406715875861 -0.000050287576 -352.406726611559 -0.000010735699 -352.406668392145 0.000058219415 -352.406670629454 -0.000002237310 -352.406671018191 -0.000000388736 -352.406671167430 -0.000000149239 -352.406671368092 -0.000000200662 -352.406671402044 -0.000000033952 -352.406671404465 -0.000000002420 -352.406671404754 -0.000000000289 -352.406671404798 -0.000000000044 -352.406671404806 -0.000000000008 -352.406671405 18 0.8706 3.501687511781e+02 -1.754851634967e+03 5.827539703349e+02 Using DIIS extrapolation, IDIIS= 1040. NGot= 64424509440 LenX= 64423831554 LenY= 64423512894 Requested convergence on RMS density matrix=1.00D-08 within 128 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. Integral accuracy reduced to 1.0D-05 until final iterations. 0.8706 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 C H H C H H H H C C C C C H H C H H C H H H H H H 13 1 1 13 1 1 1 1 13 13 13 13 13 1 1 13 1 1 13 1 1 1 1 1 1 0.05250 0.02161 0.02132 0.26235 -0.00567 -0.00574 -0.00564 0.02080 0.25320 -0.06983 -0.00919 -0.10571 0.01763 0.00030 -0.00356 0.01740 0.00077 -0.00008 0.03930 0.00947 -0.00015 0.00064 0.00070 -0.02141 -0.00951 29.50804 48.29703 47.64794 147.46322 -12.67135 -12.82839 -12.60091 46.48557 142.32171 -39.25152 -5.16595 -59.41895 9.91219 0.67692 -7.96406 9.77950 1.72984 -0.17682 22.08906 21.15673 -0.32653 1.43048 1.56776 -47.84417 -21.24531 10.52920 17.23358 17.00197 52.61854 -4.52145 -4.57749 -4.49632 16.58721 50.78393 -14.00592 -1.84334 -21.20216 3.53691 0.24154 -2.84177 3.48957 0.61725 -0.06309 7.88192 7.54925 -0.11651 0.51043 0.55941 -17.07199 -7.58086 9.84282 16.11015 15.89364 49.18843 -4.22671 -4.27909 -4.20321 15.50592 47.47341 -13.09290 -1.72317 -19.82003 3.30635 0.22579 -2.65652 3.26209 0.57701 -0.05898 7.36812 7.05713 -0.10892 0.47716 0.52295 -15.95910 -7.08667 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 -0.171073 0.001149 0.006659 0.612253 0.000479 0.002729 0.002986 0.000532 0.525739 0.024365 0.000168 0.196971 0.018234 0.007732 -0.000071 0.022110 0.005206 0.002115 -0.000330 0.040685 0.001080 0.001612 0.001244 -0.004094 -0.009856 0.083328 0.000039 -0.005027 -0.307448 -0.037800 0.022042 0.012433 -0.000960 -0.274188 -0.054501 -0.003314 -0.427905 -0.012788 -0.006559 0.001641 -0.016477 0.001735 -0.003898 -0.007526 0.015037 -0.004442 -0.001199 -0.000123 0.004511 0.005290 0.087745 -0.001189 -0.001632 -0.304805 0.037320 -0.024772 -0.015419 0.000428 -0.251551 0.030137 0.003147 0.230935 -0.005446 -0.001173 -0.001570 -0.005634 -0.006941 0.001783 0.007856 -0.055721 0.003362 -0.000413 -0.001121 -0.000417 0.004567 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 0.015976 0.005266 0.004759 -0.010599 0.001107 -0.017740 0.017997 -0.001225 0.045266 -0.023633 -0.005055 -0.536122 0.000808 0.004048 0.005966 -0.002206 -0.001622 0.002045 -0.020416 -0.033236 -0.003655 -0.000016 -0.001432 0.006096 0.000199 0.015552 -0.005043 0.002680 -0.048264 -0.016567 0.006653 0.010276 0.007276 -0.007388 -0.000105 0.000670 0.272388 0.003039 -0.001849 0.003348 -0.006002 0.003220 0.003733 0.001122 -0.022429 -0.001543 -0.000591 -0.002664 -0.009008 0.000193 -0.001981 0.001237 -0.004244 0.000389 -0.005417 -0.028236 0.033441 0.000909 -0.005386 0.003974 -0.011350 0.510835 -0.004449 0.002474 -0.004426 -0.016806 -0.006086 -0.000536 0.002965 -0.003484 -0.000236 -0.000432 -0.002048 0.005100 -0.001683 0.9962 -0.0626 -0.0599 0.074 0.9741 0.2139 0.045 -0.2175 0.975 -0.173 0.0841 0.0889 -23.216 11.286 11.93 -8.284 4.027 4.257 -7.744 3.765 3.979 1 C 13 0.631 -0.5162 0.5791 -0.089 0.6934 0.715 0.7706 0.5028 -0.3916 -0.0078 6.0E-4 0.0071 -4.154 0.341 3.813 -1.482 0.122 1.361 -1.386 0.114 1.272 2 H 1 -0.3158 0.7929 0.5212 0.0515 -0.5341 0.8438 0.9474 0.2933 0.1279 -0.0097 0.0012 0.0085 -5.182 0.65 4.532 -1.849 0.232 1.617 -1.729 0.217 1.512 3 H 1 0.0345 0.886 0.4625 0.0411 -0.4636 0.8851 0.9986 -0.0115 -0.0524 -0.3077 -0.3073 0.6149 -41.285 -41.23 82.515 -14.731 -14.712 29.443 -13.771 -13.753 27.524 4 C 13 0.0023 0.9974 0.0721 0.9344 -0.0278 0.3551 -0.3562 -0.0665 0.932 -0.0382 -0.0058 0.044 -20.376 -3.121 23.496 -7.271 -1.114 8.384 -6.797 -1.041 7.838 5 H 1 0.0423 0.4348 0.8995 0.9081 0.3587 -0.2161 -0.4166 0.826 -0.3796 -0.0381 -0.0059 0.044 -20.331 -3.127 23.458 -7.255 -1.116 8.371 -6.782 -1.043 7.825 6 H 1 0.0411 -0.564 0.8247 0.8959 -0.3446 -0.2804 0.4423 0.7504 0.4912 -0.0378 -0.0072 0.0449 -20.156 -3.816 23.972 -7.192 -1.362 8.554 -6.723 -1.273 7.996 7 H 1 0.6872 0.2364 -0.687 -0.1477 0.9713 0.1865 0.7113 -0.0267 0.7023 -0.0072 -6.0E-4 0.0078 -3.822 -0.32 4.142 -1.364 -0.114 1.478 -1.275 -0.107 1.381 8 H 1 -0.0535 0.9809 0.187 0.0202 -0.1862 0.9823 0.9984 0.0564 -0.0098 -0.2777 -0.2507 0.5284 -37.263 -33.639 70.902 -13.296 -12.003 25.3 -12.43 -11.221 23.65 9 C 13 0.266 0.9631 -0.0416 0.5975 -0.1308 0.7911 0.7565 -0.2352 -0.6103 -0.0612 0.0294 0.0318 -8.212 3.945 4.267 -2.93 1.408 1.523 -2.739 1.316 1.423 10 C 13 0.2771 0.7904 0.5464 0.9179 -0.0496 -0.3937 0.2841 -0.6106 0.7393 -0.0129 2.0E-4 0.0128 -1.735 0.021 1.715 -0.619 0.007 0.612 -0.579 0.007 0.572 11 C 13 0.4469 0.7879 -0.4236 0.7378 -0.0568 0.6727 -0.506 0.6131 0.6067 -1.0066 0.4866 0.52 -135.074 65.294 69.78 -48.198 23.298 24.899 -45.056 21.78 23.276 12 C 13 -0.0618 0.8973 0.437 -0.1076 -0.4413 0.8909 0.9923 0.008 0.1238 -0.015 -0.0036 0.0186 -2.014 -0.484 2.499 -0.719 -0.173 0.892 -0.672 -0.162 0.833 13 C 13 -0.2608 0.8967 -0.3577 0.0237 0.3764 0.9262 0.9651 0.233 -0.1194 -0.0087 -2.0E-4 0.0089 -4.654 -0.115 4.769 -1.661 -0.041 1.702 -1.552 -0.038 1.591 14 H 1 -0.5843 0.5623 0.5852 0.5667 -0.2335 0.7901 0.5809 0.7933 -0.1822 -0.0092 0.0021 0.007 -4.89 1.142 3.749 -1.745 0.407 1.338 -1.631 0.381 1.25 15 H 1 0.1036 0.798 0.5937 0.2038 -0.6013 0.7726 0.9735 0.0409 -0.2249 -0.0293 0.0059 0.0234 -3.927 0.787 3.141 -1.401 0.281 1.121 -1.31 0.262 1.048 16 C 13 -0.1397 0.4296 0.8921 0.6595 0.7124 -0.2398 0.7386 -0.5548 0.3828 -0.0104 0.0023 0.0081 -5.536 1.218 4.318 -1.975 0.435 1.541 -1.847 0.406 1.44 17 H 1 -0.4003 0.8698 0.2884 -0.5451 -0.479 0.6881 0.7366 0.1183 0.6659 -0.005 -8.0E-4 0.0058 -2.677 -0.427 3.104 -0.955 -0.153 1.108 -0.893 -0.143 1.035 18 H 1 0.6384 0.7643 -0.091 0.1484 -0.0063 0.9889 0.7553 -0.6448 -0.1174 -0.0249 0.008 0.0169 -3.346 1.074 2.271 -1.194 0.383 0.81 -1.116 0.358 0.758 19 C 13 0.2572 0.1535 0.9541 0.49 0.8302 -0.2657 0.8329 -0.5359 -0.1384 -0.0623 -0.0035 0.0658 -33.256 -1.849 35.105 -11.867 -0.66 12.526 -11.093 -0.617 11.71 20 H 1 0.4553 0.8854 0.0938 0.6653 -0.4083 0.6251 -0.5917 0.2221 0.7749 -0.0063 0.0019 0.0045 -3.386 1.0 2.386 -1.208 0.357 0.852 -1.13 0.334 0.796 21 H 1 0.0905 0.8938 0.4393 0.2531 -0.4473 0.8578 0.9632 0.0336 -0.2667 -0.0014 -4.0E-4 0.0018 -0.754 -0.193 0.947 -0.269 -0.069 0.338 -0.251 -0.064 0.316 22 H 1 0.4737 0.5101 0.7179 -0.2406 0.8591 -0.4517 0.8472 -0.0412 -0.5297 -0.0043 0.0014 0.003 -2.313 0.723 1.59 -0.825 0.258 0.567 -0.771 0.241 0.53 23 H 1 0.7149 -0.3817 0.5859 -0.6603 -0.0929 0.7452 0.2301 0.9196 0.3185 -0.0147 0.0069 0.0078 -7.86 3.697 4.163 -2.805 1.319 1.485 -2.622 1.233 1.389 24 H 1 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 C H H C H H H H C C C C C H H C H H C H H H H H H 13 1 1 13 1 1 1 1 13 13 13 13 13 1 1 13 1 1 13 1 1 1 1 1 1 0.05250 0.02161 0.02132 0.26235 -0.00567 -0.00574 -0.00564 0.02080 0.25320 -0.06983 -0.00919 -0.10571 0.01763 0.00030 -0.00356 0.01740 0.00077 -0.00008 0.03930 0.00947 -0.00015 0.00064 0.00070 -0.02141 -0.00951 29.50804 48.29703 47.64794 147.46322 -12.67135 -12.82839 -12.60091 46.48557 142.32171 -39.25152 -5.16595 -59.41895 9.91219 0.67692 -7.96406 9.77950 1.72984 -0.17682 22.08906 21.15673 -0.32653 1.43048 1.56776 -47.84417 -21.24531 10.52920 17.23358 17.00197 52.61854 -4.52145 -4.57749 -4.49632 16.58721 50.78393 -14.00592 -1.84334 -21.20216 3.53691 0.24154 -2.84177 3.48957 0.61725 -0.06309 7.88192 7.54925 -0.11651 0.51043 0.55941 -17.07199 -7.58086 9.84282 16.11015 15.89364 49.18843 -4.22671 -4.27909 -4.20321 15.50592 47.47341 -13.09290 -1.72317 -19.82003 3.30635 0.22579 -2.65652 3.26209 0.57701 -0.05898 7.36812 7.05713 -0.10892 0.47716 0.52295 -15.95910 -7.08667 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 -0.171073 0.001149 0.006659 0.612253 0.000479 0.002729 0.002986 0.000532 0.525739 0.024365 0.000168 0.196971 0.018234 0.007732 -0.000071 0.022110 0.005206 0.002115 -0.000330 0.040685 0.001080 0.001612 0.001244 -0.004094 -0.009856 0.083328 0.000039 -0.005027 -0.307448 -0.037800 0.022042 0.012433 -0.000960 -0.274188 -0.054501 -0.003314 -0.427905 -0.012788 -0.006559 0.001641 -0.016477 0.001735 -0.003898 -0.007526 0.015037 -0.004442 -0.001199 -0.000123 0.004511 0.005290 0.087745 -0.001189 -0.001632 -0.304805 0.037320 -0.024772 -0.015419 0.000428 -0.251551 0.030137 0.003147 0.230935 -0.005446 -0.001173 -0.001570 -0.005634 -0.006941 0.001783 0.007856 -0.055721 0.003362 -0.000413 -0.001121 -0.000417 0.004567 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 0.015976 0.005266 0.004759 -0.010599 0.001107 -0.017740 0.017997 -0.001225 0.045266 -0.023633 -0.005055 -0.536122 0.000808 0.004048 0.005966 -0.002206 -0.001622 0.002045 -0.020416 -0.033236 -0.003655 -0.000016 -0.001432 0.006096 0.000199 0.015552 -0.005043 0.002680 -0.048264 -0.016567 0.006653 0.010276 0.007276 -0.007388 -0.000105 0.000670 0.272388 0.003039 -0.001849 0.003348 -0.006002 0.003220 0.003733 0.001122 -0.022429 -0.001543 -0.000591 -0.002664 -0.009008 0.000193 -0.001981 0.001237 -0.004244 0.000389 -0.005417 -0.028236 0.033441 0.000909 -0.005386 0.003974 -0.011350 0.510835 -0.004449 0.002474 -0.004426 -0.016806 -0.006086 -0.000536 0.002965 -0.003484 -0.000236 -0.000432 -0.002048 0.005100 -0.001683 0.9962 -0.0626 -0.0599 0.074 0.9741 0.2139 0.045 -0.2175 0.975 -0.173 0.0841 0.0889 -23.216 11.286 11.93 -8.284 4.027 4.257 -7.744 3.765 3.979 1 C 13 0.631 -0.5162 0.5791 -0.089 0.6934 0.715 0.7706 0.5028 -0.3916 -0.0078 6.0E-4 0.0071 -4.154 0.341 3.813 -1.482 0.122 1.361 -1.386 0.114 1.272 2 H 1 -0.3158 0.7929 0.5212 0.0515 -0.5341 0.8438 0.9474 0.2933 0.1279 -0.0097 0.0012 0.0085 -5.182 0.65 4.532 -1.849 0.232 1.617 -1.729 0.217 1.512 3 H 1 0.0345 0.886 0.4625 0.0411 -0.4636 0.8851 0.9986 -0.0115 -0.0524 -0.3077 -0.3073 0.6149 -41.285 -41.23 82.515 -14.731 -14.712 29.443 -13.771 -13.753 27.524 4 C 13 0.0023 0.9974 0.0721 0.9344 -0.0278 0.3551 -0.3562 -0.0665 0.932 -0.0382 -0.0058 0.044 -20.376 -3.121 23.496 -7.271 -1.114 8.384 -6.797 -1.041 7.838 5 H 1 0.0423 0.4348 0.8995 0.9081 0.3587 -0.2161 -0.4166 0.826 -0.3796 -0.0381 -0.0059 0.044 -20.331 -3.127 23.458 -7.255 -1.116 8.371 -6.782 -1.043 7.825 6 H 1 0.0411 -0.564 0.8247 0.8959 -0.3446 -0.2804 0.4423 0.7504 0.4912 -0.0378 -0.0072 0.0449 -20.156 -3.816 23.972 -7.192 -1.362 8.554 -6.723 -1.273 7.996 7 H 1 0.6872 0.2364 -0.687 -0.1477 0.9713 0.1865 0.7113 -0.0267 0.7023 -0.0072 -6.0E-4 0.0078 -3.822 -0.32 4.142 -1.364 -0.114 1.478 -1.275 -0.107 1.381 8 H 1 -0.0535 0.9809 0.187 0.0202 -0.1862 0.9823 0.9984 0.0564 -0.0098 -0.2777 -0.2507 0.5284 -37.263 -33.639 70.902 -13.296 -12.003 25.3 -12.43 -11.221 23.65 9 C 13 0.266 0.9631 -0.0416 0.5975 -0.1308 0.7911 0.7565 -0.2352 -0.6103 -0.0612 0.0294 0.0318 -8.212 3.945 4.267 -2.93 1.408 1.523 -2.739 1.316 1.423 10 C 13 0.2771 0.7904 0.5464 0.9179 -0.0496 -0.3937 0.2841 -0.6106 0.7393 -0.0129 2.0E-4 0.0128 -1.735 0.021 1.715 -0.619 0.007 0.612 -0.579 0.007 0.572 11 C 13 0.4469 0.7879 -0.4236 0.7378 -0.0568 0.6727 -0.506 0.6131 0.6067 -1.0066 0.4866 0.52 -135.074 65.294 69.78 -48.198 23.298 24.899 -45.056 21.78 23.276 12 C 13 -0.0618 0.8973 0.437 -0.1076 -0.4413 0.8909 0.9923 0.008 0.1238 -0.015 -0.0036 0.0186 -2.014 -0.484 2.499 -0.719 -0.173 0.892 -0.672 -0.162 0.833 13 C 13 -0.2608 0.8967 -0.3577 0.0237 0.3764 0.9262 0.9651 0.233 -0.1194 -0.0087 -2.0E-4 0.0089 -4.654 -0.115 4.769 -1.661 -0.041 1.702 -1.552 -0.038 1.591 14 H 1 -0.5843 0.5623 0.5852 0.5667 -0.2335 0.7901 0.5809 0.7933 -0.1822 -0.0092 0.0021 0.007 -4.89 1.142 3.749 -1.745 0.407 1.338 -1.631 0.381 1.25 15 H 1 0.1036 0.798 0.5937 0.2038 -0.6013 0.7726 0.9735 0.0409 -0.2249 -0.0293 0.0059 0.0234 -3.927 0.787 3.141 -1.401 0.281 1.121 -1.31 0.262 1.048 16 C 13 -0.1397 0.4296 0.8921 0.6595 0.7124 -0.2398 0.7386 -0.5548 0.3828 -0.0104 0.0023 0.0081 -5.536 1.218 4.318 -1.975 0.435 1.541 -1.847 0.406 1.44 17 H 1 -0.4003 0.8698 0.2884 -0.5451 -0.479 0.6881 0.7366 0.1183 0.6659 -0.005 -8.0E-4 0.0058 -2.677 -0.427 3.104 -0.955 -0.153 1.108 -0.893 -0.143 1.035 18 H 1 0.6384 0.7643 -0.091 0.1484 -0.0063 0.9889 0.7553 -0.6448 -0.1174 -0.0249 0.008 0.0169 -3.346 1.074 2.271 -1.194 0.383 0.81 -1.116 0.358 0.758 19 C 13 0.2572 0.1535 0.9541 0.49 0.8302 -0.2657 0.8329 -0.5359 -0.1384 -0.0623 -0.0035 0.0658 -33.256 -1.849 35.105 -11.867 -0.66 12.526 -11.093 -0.617 11.71 20 H 1 0.4553 0.8854 0.0938 0.6653 -0.4083 0.6251 -0.5917 0.2221 0.7749 -0.0063 0.0019 0.0045 -3.386 1.0 2.386 -1.208 0.357 0.852 -1.13 0.334 0.796 21 H 1 0.0905 0.8938 0.4393 0.2531 -0.4473 0.8578 0.9632 0.0336 -0.2667 -0.0014 -4.0E-4 0.0018 -0.754 -0.193 0.947 -0.269 -0.069 0.338 -0.251 -0.064 0.316 22 H 1 0.4737 0.5101 0.7179 -0.2406 0.8591 -0.4517 0.8472 -0.0412 -0.5297 -0.0043 0.0014 0.003 -2.313 0.723 1.59 -0.825 0.258 0.567 -0.771 0.241 0.53 23 H 1 0.7149 -0.3817 0.5859 -0.6603 -0.0929 0.7452 0.2301 0.9196 0.3185 -0.0147 0.0069 0.0078 -7.86 3.697 4.163 -2.805 1.319 1.485 -2.622 1.233 1.389 24 H 1 PT18292.500S 2026-06-20T01:09:42.000 -10.29644 -10.29436 -10.28703 -10.28168 -10.28129 -10.27940 -10.27581 -10.27349 -10.26797 -0.97860 -0.84045 -0.82846 -0.79598 -0.78425 -0.72635 -0.68265 -0.63931 -0.59867 -0.56383 -0.55545 -0.53376 -0.52227 -0.51959 -0.47947 -0.46122 -0.45875 -0.44767 -0.43942 -0.42069 -0.41114 -0.40952 -0.40144 -0.39012 -0.38128 -0.22876 0.02584 0.10150 0.11754 0.14108 0.14660 0.15784 0.16407 0.16905 0.17321 0.18040 0.18362 0.18949 0.19408 0.20415 0.21547 0.21862 0.22502 0.23098 0.24541 0.25066 0.26076 0.27336 0.27642 0.27896 0.29589 0.30002 0.30407 0.31453 0.32099 0.32510 0.34155 0.35397 0.37450 0.38637 0.38928 0.40377 0.40946 0.41527 0.43594 0.44105 0.44705 0.46336 0.46647 0.47406 0.48616 0.48952 0.49304 0.50200 0.50810 0.50898 0.51744 0.52303 0.52748 0.53371 0.53995 0.54458 0.54523 0.54992 0.55298 0.55897 0.56455 0.57069 0.57918 0.58687 0.59555 0.60101 0.61084 0.62697 0.64974 0.65878 0.67054 0.71410 0.71654 0.73666 0.74175 0.76966 0.78463 0.80390 0.81129 0.82238 0.83585 0.84641 0.85408 0.87096 0.90094 0.91517 0.91867 0.93272 0.94274 0.95688 0.96520 0.98773 0.99603 0.99885 1.00652 1.01405 1.02413 1.02640 1.04586 1.04780 1.07313 1.08663 1.09514 1.10019 1.10332 1.11569 1.13418 1.13865 1.14920 1.16121 1.16677 1.17100 1.17205 1.18384 1.19674 1.21296 1.23641 1.23797 1.24463 1.25598 1.28284 1.28645 1.29078 1.30026 1.30437 1.31847 1.33244 1.34253 1.35657 1.36064 1.36940 1.38874 1.39851 1.41213 1.41882 1.42461 1.44229 1.44487 1.45824 1.46597 1.47331 1.48381 1.48585 1.49289 1.51517 1.51967 1.52419 1.52960 1.53603 1.54177 1.54536 1.55465 1.56695 1.57533 1.58640 1.58883 1.60342 1.61482 1.62105 1.64016 1.65283 1.67885 1.68854 1.70386 1.72038 1.73886 1.74838 1.75803 1.78855 1.80123 1.81354 1.83407 1.84388 1.84702 1.87839 1.88978 1.91186 1.94206 1.96390 1.99091 2.00287 2.02909 2.06823 2.08844 2.12808 2.16576 2.19044 2.23078 2.27443 2.28037 2.30056 2.33609 2.37691 2.40087 2.41717 2.43577 2.45347 2.46329 2.49061 2.50094 2.52650 2.54556 2.56217 2.56812 2.57767 2.60857 2.61814 2.63255 2.65289 2.66856 2.67515 2.68859 2.70951 2.71535 2.73978 2.75417 2.77393 2.78543 2.79235 2.81220 2.81415 2.83472 2.85683 2.86530 2.87855 2.88790 2.90889 2.90964 2.91718 2.92618 2.93876 2.95157 2.97068 2.97647 2.98620 2.99968 3.01400 3.02579 3.03099 3.03575 3.05490 3.06645 3.06708 3.08950 3.10394 3.11081 3.11745 3.13712 3.15519 3.16389 3.17002 3.18336 3.19088 3.21007 3.21736 3.23459 3.25198 3.25507 3.27445 3.28260 3.28881 3.32319 3.33905 3.34117 3.35400 3.36240 3.36947 3.37247 3.37908 3.38566 3.39511 3.41985 3.43117 3.43856 3.44052 3.45387 3.46283 3.47109 3.48056 3.50080 3.50405 3.51219 3.52368 3.54549 3.54911 3.56406 3.57082 3.57515 3.58493 3.59747 3.61273 3.62720 3.64753 3.65648 3.66577 3.68409 3.69668 3.69866 3.70228 3.72862 3.73212 3.74732 3.75595 3.75911 3.76566 3.77441 3.78401 3.79918 3.80307 3.83061 3.85201 3.86292 3.87239 3.87927 3.88983 3.90499 3.91547 3.91960 3.94131 3.95412 3.96613 3.97325 3.98404 3.98752 4.00031 4.00589 4.01285 4.01592 4.02490 4.03738 4.04610 4.05696 4.06271 4.07611 4.09187 4.09678 4.10108 4.12487 4.13058 4.13329 4.14001 4.14918 4.15941 4.17501 4.18376 4.19826 4.20284 4.22034 4.22345 4.23705 4.25101 4.25504 4.26719 4.28152 4.29088 4.30337 4.31243 4.33368 4.34231 4.35470 4.35913 4.39241 4.40657 4.42946 4.43417 4.45144 4.47218 4.47535 4.48705 4.50149 4.52717 4.53738 4.54763 4.56419 4.57080 4.58586 4.59236 4.61184 4.62778 4.63013 4.64981 4.65207 4.68092 4.69194 4.69908 4.71437 4.73517 4.74779 4.75979 4.79163 4.80403 4.80817 4.81260 4.81904 4.84101 4.85963 4.87877 4.89947 4.91785 4.93072 4.95829 4.96832 5.01517 5.02212 5.02800 5.04039 5.05082 5.05658 5.06587 5.08256 5.08914 5.10267 5.13776 5.15186 5.16959 5.17078 5.19629 5.20683 5.20932 5.22063 5.23626 5.25965 5.27006 5.30088 5.30524 5.33338 5.34308 5.34839 5.37904 5.39306 5.40790 5.41595 5.42280 5.42330 5.46803 5.50610 5.53334 5.54382 5.56531 5.57099 5.59254 5.61761 5.62732 5.64611 5.65294 5.65970 5.66881 5.67520 5.70304 5.72168 5.73542 5.77448 5.79245 5.85303 5.90796 5.92960 5.94118 5.97883 6.21493 22.90680 23.08485 23.39661 23.44824 23.50125 23.54868 23.59617 23.62764 24.22443 -10.29836 -10.28699 -10.28665 -10.28267 -10.28085 -10.27908 -10.27848 -10.27377 -10.26749 -0.97944 -0.83886 -0.82970 -0.79404 -0.78364 -0.71497 -0.69066 -0.64027 -0.60585 -0.56503 -0.54555 -0.53960 -0.51786 -0.51485 -0.48202 -0.45589 -0.45495 -0.45007 -0.44038 -0.42089 -0.41433 -0.40740 -0.40497 -0.38299 -0.36139 -0.25875 0.02004 0.10422 0.11805 0.14028 0.14634 0.16058 0.16298 0.16852 0.17286 0.17977 0.18544 0.19093 0.19324 0.20430 0.21786 0.22042 0.22839 0.23056 0.24654 0.25051 0.26394 0.27440 0.27705 0.28396 0.29673 0.29969 0.30725 0.31220 0.31878 0.32743 0.34156 0.36434 0.37590 0.38491 0.38897 0.40285 0.40826 0.41482 0.43533 0.43728 0.44593 0.46374 0.46660 0.47475 0.48453 0.49075 0.49290 0.50221 0.50776 0.50926 0.51597 0.52294 0.52810 0.53359 0.54028 0.54533 0.54766 0.55158 0.55724 0.56275 0.56437 0.57062 0.57906 0.58597 0.59639 0.60207 0.61216 0.62756 0.64701 0.65880 0.67043 0.71538 0.71900 0.73821 0.74285 0.77303 0.78765 0.80336 0.81527 0.82282 0.83606 0.84560 0.85574 0.86933 0.90062 0.91427 0.91821 0.93348 0.94139 0.95711 0.96463 0.98271 0.99611 0.99954 1.00812 1.01307 1.02294 1.03453 1.04415 1.04904 1.07444 1.08435 1.09513 1.09982 1.10295 1.11639 1.13450 1.13833 1.14865 1.15960 1.16482 1.17086 1.17204 1.18463 1.19675 1.21313 1.23619 1.23936 1.24530 1.25646 1.28085 1.28470 1.29064 1.30360 1.30594 1.31585 1.33199 1.34323 1.35341 1.36230 1.36889 1.38844 1.39859 1.41277 1.41995 1.42388 1.44122 1.44586 1.45902 1.46669 1.47421 1.48519 1.48664 1.49365 1.51396 1.51943 1.52454 1.53131 1.53722 1.54281 1.54596 1.55503 1.56686 1.57614 1.58572 1.58866 1.60483 1.61776 1.62239 1.64763 1.65346 1.67976 1.69002 1.70537 1.71909 1.73757 1.74708 1.75480 1.78822 1.80120 1.81306 1.83151 1.84415 1.85340 1.87834 1.89078 1.91382 1.94497 1.96312 1.97930 1.99920 2.02825 2.06890 2.08300 2.12470 2.16395 2.18898 2.22989 2.27109 2.28023 2.30135 2.33772 2.37709 2.39740 2.41598 2.43671 2.46091 2.46592 2.49059 2.50257 2.52633 2.54601 2.56197 2.56896 2.58246 2.60821 2.62299 2.63308 2.65418 2.66892 2.67533 2.68885 2.70914 2.71772 2.74120 2.74944 2.77341 2.78369 2.79194 2.80980 2.81180 2.83158 2.85603 2.86556 2.87628 2.88900 2.90757 2.91333 2.91817 2.92845 2.94143 2.95265 2.97011 2.97573 2.98727 2.99865 3.01530 3.02821 3.03203 3.03905 3.05666 3.06460 3.06841 3.09172 3.10726 3.11156 3.11951 3.13280 3.15390 3.16499 3.16668 3.18221 3.19309 3.21627 3.22517 3.24366 3.25180 3.25637 3.27424 3.28327 3.28615 3.32197 3.33810 3.34106 3.35534 3.35715 3.36897 3.37315 3.37788 3.38515 3.39533 3.42106 3.42825 3.43304 3.43576 3.45449 3.46530 3.46919 3.47825 3.50050 3.50628 3.51175 3.52057 3.54627 3.55014 3.56396 3.56947 3.57658 3.58606 3.60356 3.61799 3.62752 3.64836 3.65528 3.66756 3.68538 3.69624 3.69827 3.70179 3.72729 3.73243 3.74814 3.75784 3.75891 3.76911 3.77457 3.78276 3.79925 3.80178 3.83049 3.85248 3.86260 3.87209 3.87746 3.88861 3.90440 3.91703 3.91757 3.94308 3.95434 3.96572 3.97267 3.98182 3.98806 4.00128 4.00688 4.01337 4.01710 4.02203 4.03861 4.04633 4.05913 4.06348 4.07637 4.09194 4.09551 4.10230 4.12433 4.13034 4.13377 4.14192 4.15215 4.16014 4.17610 4.18351 4.19887 4.20530 4.22166 4.22376 4.23697 4.25064 4.25496 4.26714 4.28002 4.28921 4.30403 4.31337 4.33558 4.34171 4.35645 4.36130 4.39151 4.40696 4.43012 4.43651 4.45292 4.47426 4.47832 4.48667 4.50103 4.52954 4.53703 4.54767 4.56295 4.57348 4.58362 4.59317 4.61440 4.63126 4.63269 4.65152 4.65401 4.68414 4.69611 4.69862 4.71595 4.73783 4.74859 4.76013 4.79038 4.80485 4.80926 4.81458 4.82004 4.84139 4.86048 4.87912 4.89808 4.91997 4.92813 4.95687 4.96771 5.01215 5.02051 5.03027 5.04165 5.05225 5.05619 5.06924 5.08199 5.08902 5.10450 5.13689 5.14555 5.16623 5.17023 5.19562 5.20641 5.21330 5.22378 5.23759 5.25851 5.27166 5.30016 5.30748 5.33523 5.34351 5.35425 5.37948 5.39683 5.41070 5.42299 5.42459 5.42646 5.46726 5.50342 5.53294 5.54064 5.56260 5.57140 5.59062 5.61724 5.62756 5.64757 5.65533 5.66263 5.67304 5.67817 5.70276 5.72111 5.73570 5.77410 5.79163 5.85191 5.90750 5.93036 5.94131 5.98102 6.21738 22.91523 23.06820 23.39713 23.44892 23.50193 23.56050 23.59536 23.62749 24.22302 1-A. 0.6026 0.3799 0.0330 0.7132 -62.2350 -59.2393 -57.4216 -0.2394 0.0956 0.0777 -2.6030 0.3927 2.2103 -0.2394 0.0956 0.0777 27.4995 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(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-MOLSCI-D140-105 FOO 2026-06-20T00:00:00.000 0 Title Card Required 0 1 Version=ES64L-G16RevC.02 State=1-A HF=-352.4066714 S2=0.870617 S2-1=0. S2A=0.148442 RMSD=5.841e-09 Dipole=0.2370941,0.1494734,0.0129932 Quadrupole=-1.9352916,0.2919611,1.6433306,-0.177959,0.0710784,0.0577358 PG=C01 [X(C9H16)] 0 -2.033045 -0.078515 -0.01596 0 -2.102538 -0.001652 -1.103224 0 -2.014036 0.822825 0.601522 0 -3.980394 -0.047873 0.089545 0 -4.237482 -0.121081 1.153339 0 -4.303242 0.903142 -0.351305 0 -4.335196 -0.912957 -0.483546 0 -2.028825 -1.059176 0.460087 0 -0.146492 -0.044013 -0.093806 0 0.371092 1.29781 -0.636697 0 0.54976 -0.113599 1.272112 0 0.49753 -1.117546 -0.848109 0 1.866372 1.239458 -0.181402 0 0.259259 1.382697 -1.727639 0 -0.161355 2.148705 -0.176177 0 1.956548 -0.062079 0.660958 0 0.342246 -1.045431 1.820888 0 0.316933 0.745527 1.921397 0 1.889461 -1.287974 -0.281089 0 0.250225 -1.332772 -1.89261 0 2.563916 1.222955 -1.032747 0 2.128008 2.11232 0.435405 0 2.803277 -0.075781 1.362811 0 2.032484 -2.227663 0.28743 0 2.661333 -1.275675 -1.068947