Gaussian 16 20-Jun-2026 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 32 32 52 52 686 (5D, 7F) def2TZVPP 90 C1[X(C13H18O)] UwB97XD def2TZVPP Stability #p uwb97xd/def2TZVPP stable=opt guess=(mix,always) Int=UltraFine 172.1385 0 1 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;21;22;23;24;29;32;9;10;11;12;13;14;15;16;17;18;19;20;25;26;27;28;30;31/rA:32nC0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0C0C0C0C0H0H0H0H0C0H0H0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.1152,-1.2139,-.9406;-.9344,.0164,-.0181;-1.12,-.1638,1.5135;-2.6638,-.2155,1.5049;-1.1801,1.4288,-.6024;-2.7247,1.3744,-.5824;-2.7002,-.0291,-.0044;-2.6628,-1.2346,-.9251;-.6425,-2.1088,-.5089;-.6616,-1.0497,-1.9299;-.642,-1.0815,1.8862;-.6885,.6849,2.0657;-3.0918,-1.1729,1.838;-3.159,.5939,2.0621;-.7469,1.5396,-1.6079;-.7379,2.2025,.0444;-3.197,1.4336,-1.5741;-3.205,2.1162,.073;-3.1334,-1.0555,-1.9033;-3.1079,-2.1415,-.4892;1.1427,.0477,.0057;1.7701,1.2306,-.1593;1.7369,-1.1349,.2407;3.1865,1.1367,.353;1.4822,2.0055,-.872;1.3138,-1.9448,.8407;3.2119,.9946,1.4506;3.7884,2.0191,.0976;3.2025,-1.2137,-.1485;3.7094,-1.7867,.6554;3.372,-1.7613,-1.0914;3.8139,.0423,-.3073; /opt/g16/c02-avx2/g16/g16 /opt/g16/c02-avx2/g16/l1.exe "/fast/scratch/foo/job_795_L-TS-cyclohexadiene-O-2-fo_tight_redo_stableSP/Gau-116101.inp" -scrdir="/fast/scratch/foo/job_795_L-TS-cyclohexadiene-O-2-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 26 27 28 29 30 31 32 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 12 12 12 12 1 1 1 1 12 1 1 16 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 15.9949146 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 0 1 1 1 1 0 1 1 0 -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/g16/c02-avx2/g16/l101.exe) 0.10000e-02 0.10000e-05 F 774 A 686 A 1020 774 923.5336933966 32 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 -0.0270288491 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 0 172.1385 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;21;22;23;24;29;32;9;10;11;12;13;14;15;16;17;18;19;20;25;26;27;28;30;31/rA:32nC0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0C0C0C0C0H0H0H0H0C0H0H0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.1152,-1.2139,-.9406;-.9344,.0165,-.0181;-1.12,-.1638,1.5135;-2.6638,-.2155,1.5049;-1.1801,1.4288,-.6024;-2.7247,1.3744,-.5824;-2.7002,-.0291,-.0044;-2.6628,-1.2346,-.9251;-.6425,-2.1088,-.5089;-.6616,-1.0497,-1.9299;-.642,-1.0815,1.8862;-.6884,.6849,2.0657;-3.0918,-1.1729,1.838;-3.159,.5939,2.0621;-.7469,1.5396,-1.6079;-.7379,2.2025,.0444;-3.197,1.4336,-1.5741;-3.205,2.1162,.073;-3.1334,-1.0555,-1.9033;-3.1079,-2.1415,-.4892;1.1427,.0477,.0057;1.7701,1.2306,-.1593;1.7369,-1.1349,.2407;3.1865,1.1367,.353;1.4822,2.0055,-.8721;1.3138,-1.9448,.8407;3.2119,.9946,1.4506;3.7884,2.0191,.0976;3.2025,-1.2137,-.1485;3.7094,-1.7867,.6554;3.372,-1.7613,-1.0914;3.8139,.0423,-.3073; 0.000000 1.548408 0.000000 2.669354 1.553285 0.000000 3.061935 2.316007 1.544672 0.000000 2.665026 1.548057 2.649005 3.057079 0.000000 3.068856 2.316762 3.055162 2.624563 1.545640 0.000000 2.189142 1.766411 2.195319 1.521252 2.189450 1.518038 0.000000 1.547821 2.318463 3.077975 2.635093 3.065323 2.632134 1.517335 0.000000 1.100327 2.200693 2.846299 3.424329 3.579452 4.058784 2.968846 2.240383 0.000000 1.100661 2.205943 3.584976 4.062325 2.858966 3.456568 2.984088 2.246911 1.772398 0.000000 2.869175 2.217455 1.099757 2.232270 3.575483 4.057439 2.986342 3.465647 2.606142 3.816264 0.000000 3.581250 2.202119 1.100657 2.242138 2.813175 3.410889 2.973633 4.065428 3.799423 4.355931 1.776066 0.000000 3.410221 3.084470 2.238656 1.100336 4.047097 3.532960 2.203693 2.796963 3.519061 4.485379 2.452044 3.046206 0.000000 4.057325 3.099906 2.243377 1.100432 3.422392 2.791299 2.206682 3.537461 4.499824 4.987465 3.028781 2.472253 1.782227 0.000000 2.857117 2.209756 3.575558 4.055226 1.100476 2.233969 2.974504 3.439998 3.811847 2.610643 4.369231 3.772216 4.973053 4.492446 0.000000 3.575542 2.195754 2.811382 3.418914 1.101193 2.241900 2.972087 4.057001 4.347743 3.805291 3.766410 2.528086 4.489027 3.538447 1.780361 0.000000 3.427069 3.090145 4.049628 3.533340 2.238761 1.100045 2.202366 2.797541 4.495502 3.566736 4.982747 4.483511 4.295096 3.732149 2.452632 3.042719 0.000000 4.060065 3.093956 3.408933 2.789293 2.242485 1.100249 2.205268 3.538109 4.975544 4.528014 4.481277 3.514621 3.734460 2.505217 3.033154 2.468778 1.782949 0.000000 2.241657 3.088485 4.064910 3.541448 3.417515 2.795738 2.201528 1.100133 3.042790 2.471977 4.535184 4.975909 3.743373 4.294856 3.538049 4.488536 2.511655 3.737724 0.000000 2.243872 3.098824 3.445862 2.807724 4.059061 3.537919 2.205306 1.100239 2.465739 3.041708 3.584274 4.513301 2.520860 3.740956 4.514057 4.977163 3.737193 4.295759 1.783097 0.000000 2.754155 2.077536 2.727301 4.099558 2.770007 4.130723 3.843715 4.122243 2.846436 2.864677 2.827758 2.828903 4.772695 4.799189 2.898381 2.860327 4.821841 4.815173 4.811114 4.806790 0.000000 3.861505 2.967954 3.618812 4.951815 2.989881 4.516931 4.647007 5.129786 4.134577 3.774630 3.917676 3.360519 5.779695 5.443945 2.920474 2.697395 5.168650 5.058612 5.684409 5.939281 1.349183 0.000000 3.088086 2.920371 3.274883 4.670059 3.973941 5.184546 4.579377 4.552649 2.678034 3.236002 2.892988 3.538966 5.086212 5.502390 4.091442 4.159460 5.851016 5.917749 5.321943 5.001816 1.344123 2.399346 0.000000 5.069888 4.286603 4.645910 6.114046 4.479463 5.989458 6.011697 6.439845 5.092902 4.979955 4.682789 4.260612 6.852548 6.594054 4.413530 4.078215 6.674669 6.472159 7.059636 7.146737 2.341742 1.509147 2.697086 0.000000 4.137124 3.244344 4.143488 5.269928 2.737411 4.263831 4.731290 5.261408 4.644739 3.879286 4.652882 3.884085 6.194232 5.669480 2.393224 2.409891 4.766040 4.782807 5.633604 6.197836 2.172269 1.091405 3.341392 2.271555 0.000000 3.099583 3.104618 3.090007 4.387843 4.436585 5.417713 4.527316 4.408651 2.382318 3.518491 2.379825 3.524900 4.582644 5.286165 4.731138 4.695056 6.131299 6.123780 5.300775 4.621596 2.167089 3.360294 1.093100 3.638761 4.308862 0.000000 5.414739 4.506216 4.484586 5.999272 4.867584 6.286533 6.174009 6.717591 5.322335 5.532718 4.399131 3.960689 6.677231 6.412745 5.032283 4.363161 7.100420 6.658249 7.464242 7.316980 2.695535 2.174041 2.859055 1.107066 3.067298 3.551723 0.000000 5.964553 5.131222 5.555437 6.971740 5.052219 6.580161 6.804999 7.297343 6.086091 5.773282 5.695721 5.069120 7.781773 7.359177 4.869059 4.530314 7.206490 6.994110 7.833831 8.075539 3.300726 2.182045 3.765234 1.098234 2.501770 4.731631 1.792388 0.000000 4.389769 4.317961 4.748582 6.176079 5.137740 6.482139 6.022144 5.916552 3.964197 4.258117 4.351748 4.862835 6.600542 6.973085 5.030786 5.218673 7.070696 7.224506 6.576341 6.387341 2.420259 2.833182 1.518486 2.403448 3.721033 2.253909 2.726565 3.294731 0.000000 5.113891 5.026910 5.166513 6.618713 5.985689 7.274712 6.678855 6.588445 4.516395 5.131524 4.576704 5.238148 6.930496 7.404114 6.003801 6.005404 7.939736 7.961150 7.342026 6.921794 3.220961 3.678165 2.118365 2.985183 4.655507 2.407873 2.935196 3.847294 1.109754 0.000000 4.522987 4.781011 5.432862 6.749914 5.580119 6.874675 6.407322 6.060031 4.071347 4.180841 5.043844 5.695491 7.121049 7.625384 5.303638 5.821784 7.320700 7.723193 6.593767 6.518909 3.073417 3.519493 2.200153 3.243405 4.219971 2.828913 3.752711 3.984856 1.103464 1.779329 0.000000 5.125941 4.757213 5.263226 6.731362 5.191294 6.678544 6.521538 6.630241 4.952499 4.884186 5.092085 5.129840 7.332712 7.385138 4.973362 5.050608 7.259010 7.328721 7.212328 7.260407 2.689463 2.368774 2.449525 1.423864 3.099909 3.393659 2.087961 2.017995 1.405961 2.069590 2.015770 0.000000 C13H18O 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 0 0 0 0 0 0 0 172.1385 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;21;22;23;24;29;32;9;10;11;12;13;14;15;16;17;18;19;20;25;26;27;28;30;31/rA:32nC0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0C0C0C0C0H0H0H0H0C0H0H0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.1152,-1.2139,-.9406;-.9344,.0165,-.0181;-1.12,-.1638,1.5135;-2.6638,-.2155,1.5049;-1.1801,1.4288,-.6024;-2.7247,1.3744,-.5824;-2.7002,-.0291,-.0044;-2.6628,-1.2346,-.9251;-.6425,-2.1088,-.5089;-.6616,-1.0497,-1.9299;-.642,-1.0815,1.8862;-.6884,.6849,2.0657;-3.0918,-1.1729,1.838;-3.159,.5939,2.0621;-.7469,1.5396,-1.6079;-.7379,2.2025,.0444;-3.197,1.4336,-1.5741;-3.205,2.1162,.073;-3.1334,-1.0555,-1.9033;-3.1079,-2.1415,-.4892;1.1427,.0477,.0057;1.7701,1.2306,-.1593;1.7369,-1.1349,.2407;3.1865,1.1367,.353;1.4822,2.0055,-.8721;1.3138,-1.9448,.8407;3.2119,.9946,1.4506;3.7884,2.0191,.0976;3.2025,-1.2137,-.1485;3.7094,-1.7867,.6554;3.372,-1.7613,-1.0914;3.8139,.0423,-.3073; 1.5750034 0.4177051 0.3927872 -19.24038 -10.32499 -10.32226 -10.31429 -10.30403 -10.29395 -10.29304 -10.29211 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0.54787 0.55175 0.55536 0.56014 0.56435 0.57133 0.57769 0.57858 0.59241 0.60400 0.60961 0.61484 0.62310 0.63154 0.64530 0.64968 0.66119 0.67244 0.68644 0.69473 0.69897 0.72066 0.72546 0.73157 0.74415 0.75364 0.76221 0.76677 0.78104 0.78468 0.79392 0.80483 0.81741 0.82081 0.82984 0.84143 0.85071 0.87490 0.88093 0.89246 0.90374 0.90644 0.90799 0.91680 0.92576 0.93650 0.95139 0.96373 0.97327 0.98103 0.99220 1.00848 1.01392 1.01831 1.02093 1.02575 1.03440 1.05006 1.05973 1.07081 1.07690 1.08214 1.08807 1.09234 1.09486 1.09835 1.11057 1.12199 1.12808 1.14348 1.14570 1.15366 1.15961 1.16604 1.17201 1.17697 1.18074 1.18815 1.19350 1.20054 1.20400 1.22227 1.22528 1.23084 1.23970 1.24753 1.25437 1.25928 1.26707 1.27356 1.27713 1.28348 1.29176 1.29734 1.30156 1.30497 1.32074 1.33228 1.34242 1.35503 1.35924 1.37518 1.38739 1.39464 1.40444 1.41741 1.42039 1.42850 1.43695 1.44349 1.44704 1.45456 1.46761 1.47236 1.47708 1.48347 1.49584 1.50417 1.50722 1.51640 1.51942 1.52527 1.54014 1.54164 1.55129 1.55894 1.56670 1.56984 1.57293 1.57911 1.58184 1.58427 1.59687 1.60413 1.60752 1.63491 1.63998 1.64666 1.65208 1.65711 1.66848 1.68205 1.69619 1.70234 1.70897 1.71878 1.73645 1.74642 1.75244 1.76672 1.77676 1.78102 1.79884 1.80311 1.80885 1.82088 1.83195 1.84804 1.88230 1.89507 1.90076 1.91639 1.92844 1.94463 1.95520 1.96011 1.97255 1.98576 1.99251 2.03016 2.03573 2.05526 2.07233 2.07594 2.08903 2.09603 2.11147 2.14817 2.15723 2.17046 2.19804 2.21027 2.22861 2.27087 2.29592 2.30068 2.31093 2.35588 2.37163 2.38345 2.41555 2.42467 2.42537 2.44511 2.46729 2.47730 2.48602 2.50281 2.51179 2.52160 2.53429 2.53803 2.56594 2.57997 2.58911 2.61659 2.63018 2.63726 2.64537 2.65971 2.66270 2.67440 2.68614 2.70941 2.71819 2.74356 2.74436 2.74880 2.75726 2.76817 2.77547 2.78920 2.78994 2.79739 2.81178 2.81701 2.82516 2.82746 2.83575 2.84912 2.85331 2.86526 2.87328 2.88365 2.89274 2.89749 2.91365 2.91552 2.93838 2.94775 2.95501 2.95845 2.97511 2.98212 2.99885 3.00882 3.01532 3.03169 3.04225 3.06070 3.06254 3.07082 3.07341 3.08461 3.09225 3.10367 3.11086 3.11883 3.13230 3.13743 3.13946 3.14415 3.16221 3.16786 3.17777 3.18472 3.19516 3.19578 3.21371 3.21607 3.22255 3.23387 3.24092 3.24404 3.25533 3.26639 3.27111 3.27741 3.28330 3.28770 3.29287 3.29379 3.30290 3.30671 3.31651 3.32741 3.33274 3.34092 3.34752 3.35965 3.36594 3.37461 3.38228 3.38928 3.40383 3.41732 3.43696 3.44270 3.44523 3.45302 3.47197 3.48677 3.49677 3.50567 3.50748 3.51410 3.51557 3.52265 3.52845 3.53099 3.53593 3.54767 3.54864 3.56255 3.56595 3.57308 3.58364 3.59433 3.60335 3.61101 3.61308 3.61741 3.62087 3.62779 3.63099 3.64959 3.65719 3.66217 3.68354 3.68676 3.69313 3.69819 3.71006 3.72059 3.72401 3.73239 3.73525 3.74493 3.75456 3.76884 3.77788 3.78780 3.79947 3.80790 3.82787 3.83268 3.83520 3.84723 3.85521 3.86133 3.87302 3.87909 3.89556 3.90630 3.92657 3.93582 3.94089 3.94522 3.95698 3.96632 3.97208 3.97665 3.98249 3.98828 4.00013 4.00441 4.01659 4.03106 4.03483 4.03864 4.04346 4.05094 4.05624 4.06173 4.07034 4.08197 4.08620 4.09652 4.10790 4.12524 4.13181 4.14340 4.15485 4.16131 4.18020 4.18783 4.19363 4.20380 4.21830 4.23276 4.23815 4.24513 4.25105 4.26203 4.26804 4.27197 4.28312 4.29036 4.29697 4.31130 4.31312 4.31683 4.32124 4.33901 4.34587 4.35122 4.36178 4.36182 4.36593 4.37327 4.38077 4.39236 4.39928 4.40444 4.41229 4.42347 4.42808 4.43097 4.44471 4.45026 4.46436 4.47709 4.49314 4.49442 4.51033 4.52009 4.52518 4.53871 4.54989 4.56680 4.57575 4.57810 4.59967 4.62518 4.63325 4.63888 4.65263 4.66272 4.68039 4.68946 4.69489 4.71848 4.72498 4.73465 4.75265 4.75934 4.76918 4.77628 4.77828 4.79993 4.80482 4.83036 4.84514 4.85464 4.85751 4.86312 4.87486 4.88389 4.89169 4.90182 4.91622 4.93342 4.94770 4.95764 4.96001 4.97068 4.97447 4.98620 5.01417 5.02363 5.04783 5.05582 5.08071 5.09670 5.10631 5.12121 5.13341 5.14414 5.15542 5.16939 5.17226 5.18615 5.20425 5.21315 5.22227 5.22671 5.22748 5.25237 5.25888 5.26264 5.26715 5.27569 5.29620 5.30471 5.32449 5.34083 5.36246 5.37413 5.38923 5.40270 5.41119 5.41675 5.43839 5.44141 5.45068 5.48120 5.49677 5.50567 5.51242 5.53272 5.53616 5.55821 5.59153 5.61836 5.62467 5.62534 5.65971 5.66296 5.68647 5.68916 5.69296 5.70386 5.71339 5.72779 5.73817 5.75061 5.77171 5.77354 5.80442 5.85400 5.86265 5.91338 5.93831 5.98025 5.99411 6.00068 6.06261 6.16656 6.19849 6.45256 6.51356 6.85623 6.95873 7.18584 7.39958 7.52848 22.74770 22.87300 23.22084 23.27523 23.41288 23.42672 23.44532 23.46082 23.59128 23.60666 23.61843 23.68796 23.83215 44.42197 -19.23960 -10.32534 -10.32258 -10.31821 -10.30289 -10.29458 -10.29363 -10.29274 -10.29146 -10.29140 -10.29098 -10.28705 -10.27218 -10.26601 -1.12694 -1.00660 -0.89400 -0.86472 -0.86423 -0.84525 -0.81066 -0.72354 -0.70992 -0.70806 -0.69954 -0.69372 -0.59041 -0.58338 -0.58068 -0.57695 -0.55387 -0.55235 -0.53930 -0.51975 -0.51471 -0.51435 -0.50405 -0.48906 -0.47509 -0.47282 -0.47159 -0.44401 -0.42898 -0.42419 -0.41673 -0.39696 -0.37913 -0.37837 -0.33905 -0.33295 -0.31827 -0.23165 -0.00035 0.09901 0.11600 0.11855 0.12410 0.12575 0.13838 0.14110 0.14551 0.15464 0.15966 0.16227 0.16779 0.17950 0.18604 0.19331 0.20027 0.20585 0.21462 0.21897 0.22658 0.24613 0.24905 0.25232 0.25384 0.25777 0.25998 0.26832 0.27010 0.27355 0.27593 0.28758 0.29133 0.30278 0.31005 0.31517 0.32789 0.33667 0.34257 0.35129 0.35572 0.35694 0.36448 0.38054 0.38755 0.39077 0.40211 0.40863 0.41708 0.42140 0.42455 0.43288 0.43889 0.45068 0.45255 0.46073 0.47110 0.47546 0.47617 0.47991 0.48668 0.48919 0.49460 0.49827 0.50464 0.50811 0.51032 0.51277 0.52142 0.52227 0.52658 0.52905 0.53434 0.54470 0.54776 0.55183 0.55609 0.56036 0.56419 0.57120 0.57725 0.57846 0.59239 0.60415 0.60933 0.61495 0.62274 0.63160 0.64506 0.64930 0.66123 0.67223 0.68792 0.69446 0.69816 0.72050 0.72509 0.73093 0.74368 0.75293 0.76158 0.76627 0.78056 0.78441 0.79375 0.80434 0.81744 0.82073 0.82991 0.84157 0.85093 0.87516 0.88077 0.89234 0.90346 0.90624 0.90766 0.91674 0.92598 0.93548 0.95079 0.96377 0.97307 0.98123 0.99281 1.00884 1.01414 1.01829 1.02204 1.02576 1.03404 1.05063 1.05985 1.07139 1.07727 1.08231 1.08829 1.09259 1.09494 1.09865 1.11058 1.12203 1.12838 1.14341 1.14557 1.15375 1.15812 1.16556 1.17129 1.17662 1.18096 1.18787 1.19345 1.20027 1.20358 1.22204 1.22572 1.23065 1.24004 1.24721 1.25442 1.25852 1.26810 1.27322 1.27702 1.28372 1.29202 1.29723 1.30154 1.30527 1.32126 1.33304 1.34254 1.35518 1.35990 1.37478 1.38665 1.39526 1.40440 1.41650 1.42021 1.42866 1.43675 1.44335 1.44765 1.45499 1.46745 1.47226 1.47755 1.48402 1.49531 1.50423 1.50756 1.51666 1.52004 1.52620 1.54056 1.54198 1.55120 1.55905 1.56652 1.57018 1.57247 1.57890 1.58209 1.58415 1.59752 1.60468 1.60738 1.63319 1.63955 1.64652 1.65253 1.65743 1.66938 1.68323 1.69701 1.70267 1.70874 1.71904 1.73636 1.74648 1.75301 1.76748 1.77650 1.78063 1.80006 1.80325 1.80876 1.82201 1.83234 1.84941 1.88327 1.89520 1.90084 1.91617 1.92574 1.94373 1.95549 1.96091 1.97235 1.98479 1.99212 2.02917 2.03593 2.05492 2.07196 2.07722 2.08975 2.09657 2.11278 2.14856 2.15706 2.17049 2.19812 2.21168 2.22828 2.26926 2.29479 2.30149 2.31017 2.35396 2.37174 2.38366 2.41598 2.42493 2.42665 2.44536 2.46675 2.47622 2.48507 2.50172 2.51155 2.52127 2.53379 2.53816 2.56508 2.58057 2.58890 2.61625 2.62991 2.63726 2.64532 2.65971 2.66299 2.67441 2.68619 2.70963 2.71799 2.74300 2.74471 2.74865 2.75595 2.76780 2.77534 2.78935 2.79099 2.79745 2.81108 2.81668 2.82578 2.82704 2.83539 2.84936 2.85279 2.86475 2.87323 2.88341 2.89255 2.89707 2.91280 2.91514 2.93896 2.94777 2.95544 2.95877 2.97523 2.98218 2.99896 3.00923 3.01464 3.03168 3.04285 3.05969 3.06277 3.07085 3.07392 3.08575 3.09192 3.10368 3.11123 3.11905 3.13197 3.13752 3.13918 3.14461 3.16281 3.16832 3.17748 3.18482 3.19501 3.19642 3.21330 3.21578 3.22356 3.23372 3.24134 3.24402 3.25570 3.26628 3.27073 3.27616 3.28280 3.28748 3.29256 3.29369 3.30346 3.30556 3.31658 3.32822 3.33257 3.34178 3.34754 3.35975 3.36533 3.37376 3.38315 3.38874 3.40443 3.41673 3.43652 3.44317 3.44483 3.45302 3.47217 3.48669 3.49689 3.50604 3.50705 3.51262 3.51609 3.52191 3.52758 3.53110 3.53599 3.54752 3.54838 3.56270 3.56507 3.57300 3.58318 3.59432 3.60204 3.61009 3.61300 3.61698 3.62112 3.62722 3.63195 3.64950 3.65674 3.66216 3.68263 3.68601 3.69265 3.69790 3.70989 3.72152 3.72289 3.73202 3.73557 3.74485 3.75408 3.76776 3.77715 3.78821 3.79981 3.80814 3.82816 3.83293 3.83493 3.84716 3.85428 3.86133 3.87275 3.87890 3.89588 3.90640 3.92619 3.93495 3.94028 3.94434 3.95710 3.96614 3.97199 3.97657 3.98170 3.98797 4.00032 4.00444 4.01566 4.03079 4.03464 4.03841 4.04347 4.05120 4.05567 4.06143 4.06903 4.08201 4.08594 4.09566 4.10762 4.12541 4.13111 4.14241 4.15419 4.16057 4.17944 4.18761 4.19362 4.20382 4.21787 4.23234 4.23777 4.24507 4.25086 4.26199 4.26773 4.27066 4.28161 4.28993 4.29695 4.31086 4.31263 4.31656 4.32089 4.33920 4.34532 4.35082 4.36115 4.36185 4.36477 4.37310 4.38001 4.39157 4.39917 4.40370 4.41263 4.42297 4.42799 4.43086 4.44456 4.45066 4.46535 4.47730 4.49274 4.49431 4.50920 4.51958 4.52412 4.53838 4.55026 4.56676 4.57555 4.57874 4.59974 4.62473 4.63319 4.63905 4.65246 4.66247 4.68018 4.68933 4.69434 4.71817 4.72450 4.73470 4.75371 4.75889 4.76865 4.77601 4.77843 4.80050 4.80488 4.82982 4.84440 4.85522 4.85728 4.86335 4.87489 4.88372 4.89183 4.90204 4.91645 4.93359 4.94792 4.95749 4.95990 4.97061 4.97460 4.98617 5.01360 5.02342 5.04780 5.05668 5.08067 5.09655 5.10572 5.12100 5.13228 5.14462 5.15576 5.16928 5.17285 5.18610 5.20396 5.21286 5.22152 5.22653 5.22664 5.25167 5.25823 5.26235 5.26656 5.27529 5.29595 5.30425 5.32501 5.34048 5.36142 5.37404 5.38951 5.40243 5.41144 5.41679 5.43843 5.44127 5.45109 5.48104 5.49738 5.50640 5.51386 5.53236 5.53583 5.55819 5.59266 5.61866 5.62435 5.62534 5.65958 5.66295 5.68693 5.68926 5.69260 5.70391 5.71451 5.72781 5.73854 5.75046 5.77134 5.77292 5.80451 5.85378 5.86237 5.91368 5.93767 5.98005 5.99387 6.00044 6.06390 6.16739 6.19932 6.45354 6.51428 6.85821 6.96096 7.18754 7.40084 7.52968 22.74542 22.86985 23.22472 23.27443 23.41296 23.42674 23.44532 23.46080 23.59094 23.60643 23.61829 23.68797 23.83129 44.42270 1-A. -3.2173 -0.3177 0.5197 3.2745 -92.3780 -81.7088 -84.7994 -0.7186 2.6239 -1.2035 -6.0826 4.5866 1.4960 -0.7186 2.6239 -1.2035 -32.4391 -1.6069 -4.7324 11.3571 -0.8324 10.1992 -0.4294 0.3951 1.2820 -0.1539 -3209.0717 -689.7037 -468.0310 -2.8738 39.3057 6.4435 -9.9144 3.0565 0.0502 -565.3043 -568.0243 -191.1216 3.7948 -11.4562 -5.9268 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= 769 769 769 769 769 MxSgAt= 32 MxSgA2= 32. 1 open 1 0 1 -580.969953686746 -581.075673088429 -0.105719401683 -581.150218049563 -0.074544961134 -581.206526916237 -0.056308866674 -581.210860905392 -0.004333989155 -581.213070749397 -0.002209844005 -581.213860164666 -0.000789415268 -581.214475559468 -0.000615394802 -581.214787252710 -0.000311693242 -581.214938359452 -0.000151106742 -581.215075292948 -0.000136933496 -581.215151785286 -0.000076492338 -581.215190004088 -0.000038218802 -581.215217321367 -0.000027317278 -581.215232162224 -0.000014840857 -581.215232768584 -0.000000606360 -581.215227719489 0.000005049095 -581.215225367449 0.000002352040 -581.215229473769 -0.000004106320 -581.215238433058 -0.000008959289 -581.215123468726 0.000114964331 -581.215137503812 -0.000014035086 -581.215137568226 -0.000000064414 -581.215137575159 -0.000000006932 -581.215137579700 -0.000000004541 -581.215137582735 -0.000000003035 -581.215137586157 -0.000000003422 -581.215137588504 -0.000000002348 -581.215137590436 -0.000000001931 -581.215137592209 -0.000000001774 -581.215137594733 -0.000000002524 -581.215137596862 -0.000000002129 -581.215137597898 -0.000000001036 -581.215137598017 -0.000000000118 -581.215137598042 -0.000000000025 -581.215137598 35 0.1944 5.778968740564e+02 -3.197435166629e+03 1.114816490427e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 64424509440 LenX= 64423254266 LenY= 64422654416 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. 0.1944 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 C C C C C C C C H H H H H H H H H H H H C C C C H H H H C H H O 13 13 13 13 13 13 13 13 1 1 1 1 1 1 1 1 1 1 1 1 13 13 13 13 1 1 1 1 13 1 1 17 -0.04248 -0.01085 -0.04033 0.01328 -0.03807 0.01207 -0.04735 0.01177 -0.00035 -0.00021 -0.00018 -0.00015 -0.00092 -0.00103 -0.00027 -0.00043 -0.00101 -0.00094 -0.00105 -0.00092 -0.10281 0.02531 0.01736 -0.01035 -0.00534 -0.00541 0.00143 -0.00011 -0.01420 0.00597 0.00436 0.01250 -23.87807 -6.09947 -22.67112 7.46218 -21.39695 6.78726 -26.61328 6.61347 -0.78269 -0.47764 -0.39176 -0.33209 -2.05971 -2.29981 -0.61218 -0.95205 -2.26438 -2.09406 -2.34343 -2.06162 -57.78783 14.22551 9.75910 -5.81974 -11.93825 -12.08696 3.19456 -0.23591 -7.98340 13.34579 9.74937 -3.78749 -8.52029 -2.17644 -8.08962 2.66269 -7.63496 2.42186 -9.49628 2.35985 -0.27928 -0.17043 -0.13979 -0.11850 -0.73496 -0.82063 -0.21844 -0.33972 -0.80799 -0.74721 -0.83619 -0.73564 -20.62013 5.07602 3.48229 -2.07663 -4.25986 -4.31293 1.13990 -0.08418 -2.84868 4.76211 3.47882 -1.35147 -7.96487 -2.03456 -7.56227 2.48911 -7.13725 2.26398 -8.87723 2.20601 -0.26108 -0.15932 -0.13068 -0.11077 -0.68705 -0.76713 -0.20420 -0.31757 -0.75532 -0.69850 -0.78168 -0.68768 -19.27594 4.74512 3.25528 -1.94126 -3.98217 -4.03177 1.06559 -0.07869 -2.66298 4.45168 3.25204 -1.26337 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 -0.004895 0.101093 -0.004735 0.002217 -0.004533 0.000653 -0.339733 0.000517 0.002732 0.000479 0.001046 0.000550 0.001963 0.001923 0.001245 0.003363 0.001875 0.001956 0.001884 0.002008 -0.148624 -0.026563 -0.047180 -0.009502 -0.009651 -0.007097 -0.000276 0.002402 -0.009661 0.001196 0.000345 0.104477 -0.000786 -0.049590 0.015015 0.000003 -0.005815 -0.000861 0.169844 -0.000506 -0.002495 0.001038 -0.001208 0.000123 0.000993 0.001952 0.000014 -0.002524 -0.001243 -0.004087 0.000369 -0.003606 0.151482 -0.097495 -0.108745 0.004263 0.000360 0.001133 0.000675 -0.001099 0.004675 -0.000066 0.000575 -0.037029 0.005681 -0.051503 -0.010280 -0.002220 0.010347 0.000208 0.169889 -0.000010 -0.000237 -0.001517 0.000162 -0.000673 -0.002957 -0.003875 -0.001259 -0.000839 -0.000631 0.002131 -0.002253 0.001598 -0.002858 0.124058 0.155925 0.005239 0.009291 0.005964 -0.000399 -0.001303 0.004985 -0.001129 -0.000920 -0.067448 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 0.012685 0.003633 0.001665 -0.000455 -0.015424 0.003018 -0.013089 -0.002735 0.002881 0.000612 0.001095 -0.000596 -0.000076 -0.000077 -0.001073 -0.002886 0.001043 0.001138 -0.000758 -0.000720 -0.001840 -0.085302 0.053388 0.006533 -0.012151 0.012900 -0.000781 0.001140 -0.000605 -0.000810 -0.000419 -0.051264 0.010309 -0.003537 -0.017045 0.003068 0.007359 -0.001180 0.005425 -0.001780 0.001161 0.002840 -0.002339 -0.002749 0.000772 0.000942 0.002583 0.000266 -0.000426 -0.000347 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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)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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) 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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)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 20-Jun-2026 0 Title Card Required 0 1 Version=ES64L-G16RevC.02 State=1-A HF=-581.2151376 S2=0.194392 S2-1=0. 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