Gaussian 16 21-Jun-2026 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 32 32 51 51 686 (5D, 7F) def2TZVPP 90 C1[X(C14H18)] UwB97XD def2TZVPP Stability #p uwb97xd/def2TZVPP stable=opt guess=(mix,always) Int=UltraFine 168.14979999999997 0 1 AuxInfo=1/0/N:1;2;3;4;6;7;13;14;15;16;17;20;23;26;5;8;9;10;11;12;18;19;21;22;24;25;27;28;29;30;31;32/rA:32nC0C0C0C0H0C0C0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.1948,.0863,.1333;1.8186,1.2608,.0651;1.7413,-1.1288,.2424;3.3466,1.1493,.1234;1.3607,2.2523,.0798;3.0357,-1.4068,.0909;3.9028,-.2122,-.3305;3.8057,1.9508,-.4759;3.6459,1.3435,1.1725;3.4937,-2.3991,.1599;3.9809,-.2296,-1.4354;4.9304,-.3302,.0474;-.9326,.0657,.0216;-1.213,1.5759,-.1636;-.9724,-.8696,-1.2151;-1.127,-.5768,1.419;-2.7504,1.4263,-.2574;-.7349,1.9808,-1.0681;-.8711,2.169,.6975;-2.5136,-.9968,-1.2732;-.5112,-.4066,-2.101;-.4333,-1.8077,-1.0022;-2.6696,-.6789,1.3352;-.7454,.0608,2.231;-.596,-1.5417,1.4683;-2.6385,-.0823,-.0639;-3.3156,1.9357,.5372;-3.1833,1.715,-1.2267;-2.9772,-.5916,-2.1847;-2.9014,-2.0128,-1.1086;-3.2109,-.0592,2.0653;-3.0731,-1.7011,1.3809; /opt/g16/c02-avx2/g16/g16 /opt/g16/c02-avx2/g16/l1.exe "/fast/scratch/foo/job_852_L-TS-cyclohexatriene-fo_tight_redo_stableSP/Gau-97793.inp" -scrdir="/fast/scratch/foo/job_852_L-TS-cyclohexatriene-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 1 12 12 1 1 1 1 1 12 12 12 12 12 1 1 12 1 1 12 1 1 12 1 1 1 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 12.0000000 1.0078250 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 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 1 0 0 1 1 1 1 1 0 0 0 0 0 1 1 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 -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 774 886.2979150055 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 -0.0266435288 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 0 168.14979999999997 AuxInfo=1/0/N:1;2;3;4;6;7;13;14;15;16;17;20;23;26;5;8;9;10;11;12;18;19;21;22;24;25;27;28;29;30;31;32/rA:32nC0C0C0C0H0C0C0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.1948,.0863,.1333;1.8186,1.2608,.0651;1.7413,-1.1288,.2424;3.3466,1.1493,.1234;1.3607,2.2523,.0798;3.0357,-1.4068,.0909;3.9028,-.2122,-.3305;3.8057,1.9508,-.4759;3.6459,1.3435,1.1725;3.4937,-2.3991,.1599;3.9809,-.2296,-1.4354;4.9304,-.3302,.0474;-.9326,.0657,.0216;-1.213,1.5759,-.1636;-.9723,-.8696,-1.2151;-1.127,-.5768,1.419;-2.7504,1.4263,-.2574;-.7349,1.9808,-1.0681;-.8711,2.169,.6975;-2.5136,-.9968,-1.2732;-.5113,-.4066,-2.101;-.4333,-1.8077,-1.0022;-2.6696,-.6789,1.3352;-.7454,.0608,2.231;-.596,-1.5417,1.4683;-2.6385,-.0823,-.0639;-3.3156,1.9357,.5372;-3.1833,1.715,-1.2267;-2.9772,-.5916,-2.1847;-2.9014,-2.0128,-1.1086;-3.2109,-.0592,2.0653;-3.0731,-1.7011,1.3809; 0.000000 1.331624 0.000000 1.336828 2.397404 0.000000 2.400100 1.533169 2.789435 0.000000 2.173056 1.092307 3.406404 2.272110 0.000000 2.370673 2.932175 1.332554 2.575077 4.024275 0.000000 2.763671 2.582630 2.416758 1.539136 3.564352 1.535103 0.000000 3.265657 2.171916 3.776499 1.101096 2.525373 3.491081 2.170079 0.000000 2.944261 2.138272 3.256579 1.108071 2.691093 3.017662 2.178325 1.763904 0.000000 3.385665 4.026051 2.165912 3.551555 5.117763 1.095056 2.278230 4.407175 3.880132 0.000000 3.213021 3.024622 2.939318 2.175712 3.914289 2.146826 1.107851 2.388707 3.064020 2.736602 0.000000 3.759773 3.494956 3.293367 2.168646 4.406057 2.179623 1.101202 2.596555 2.391031 2.521294 1.763673 0.000000 2.130355 2.999864 2.936831 4.415423 3.169252 4.233193 4.856156 5.123702 4.890809 5.068092 5.133469 5.876373 0.000000 2.846841 3.056562 4.025946 4.588558 2.672292 5.197371 5.421911 5.042377 5.044676 6.169109 5.643973 6.435806 1.547167 0.000000 2.725506 3.737218 3.091163 4.951857 4.106893 4.249552 4.998213 5.597388 5.650392 4.916845 4.999285 6.060310 1.551069 2.672787 0.000000 2.735549 3.726437 3.149014 4.966989 3.998258 4.447559 5.337874 5.857531 5.150645 5.124132 5.861676 6.215636 1.550246 2.673220 2.654893 0.000000 4.184835 4.583401 5.191732 6.115201 4.206839 6.451899 6.852438 6.580669 6.554747 7.334618 7.031420 7.885017 2.287778 1.547479 3.057789 3.075455 0.000000 2.959068 2.884970 4.185507 4.332439 2.404826 5.199635 5.182838 4.579145 4.961653 6.210626 5.221094 6.219395 2.212286 1.100266 2.864000 3.588946 2.242069 0.000000 2.987297 2.908545 4.231745 4.377079 2.317238 5.330808 5.433010 4.826681 4.616360 6.340971 5.817672 6.350319 2.210155 1.100157 3.591884 2.850519 2.235001 1.780840 0.000000 4.111356 5.065132 4.518665 6.395161 5.234295 5.729174 6.532594 7.018354 7.028374 6.333040 6.541665 7.589555 2.303260 3.088868 1.547572 3.057322 2.638088 3.474417 4.074781 0.000000 2.854013 3.591656 3.329676 4.717160 3.915345 4.287831 4.759883 5.180165 5.573173 5.012081 4.544640 5.850892 2.214909 2.859321 1.100759 3.577482 3.431050 2.610783 3.820292 2.245630 0.000000 2.743603 3.952963 2.595902 4.929369 4.568759 3.659189 4.668956 5.689718 5.594621 4.137800 4.707817 5.661640 2.192490 3.572094 1.102731 2.803345 4.047581 3.801056 4.346870 2.249136 1.782306 0.000000 4.118668 5.051708 4.566475 6.403562 5.139241 5.884605 6.796279 7.219757 6.633454 6.505871 7.218580 7.716226 2.301577 3.074446 3.069431 1.548258 2.641044 4.073438 3.428113 2.632371 4.066943 3.426189 0.000000 2.857461 3.564448 3.399024 4.729815 3.723730 4.585881 5.314291 5.622420 4.695694 5.320708 5.988748 6.093886 2.217313 2.872030 3.576734 1.100650 3.475223 3.817142 2.610000 4.065050 4.363391 3.747312 2.247714 0.000000 2.763943 3.956418 2.671394 4.959272 4.489029 3.886492 5.024238 5.945799 5.138705 4.378660 5.576878 5.833353 2.188517 3.572535 2.791769 1.102457 4.053216 4.342830 3.799891 3.389637 3.746337 2.490063 2.249839 1.781018 0.000000 3.842022 4.656860 4.513466 6.113378 4.633036 5.828765 6.548041 6.769838 6.561675 6.559026 6.761607 7.573768 1.714465 2.188938 2.172821 2.174438 1.525138 2.981334 2.961744 1.521275 2.963082 2.953000 1.521334 2.978420 2.940903 0.000000 4.891510 5.199887 5.920341 6.721239 4.709308 7.190994 7.581046 7.193003 7.015513 8.080774 7.862519 8.565693 3.072747 2.245320 4.053527 3.446769 1.100110 3.039566 2.460839 3.538387 4.506702 4.968955 2.808979 3.604233 4.511680 2.211827 0.000000 4.865186 5.186004 5.873441 6.692027 4.758600 7.082219 7.398043 7.033187 7.247958 7.964330 7.426416 8.463987 3.056886 2.243104 3.401267 4.059619 1.100108 2.467914 3.042219 2.793637 3.522127 4.474655 3.543735 4.542656 4.956092 2.208899 1.782531 0.000000 4.820574 5.611820 5.333223 6.953311 5.659819 6.480564 7.135602 7.442535 7.673393 7.115914 7.007685 8.220749 3.079009 3.448876 2.244270 4.050957 2.799626 3.590491 4.512613 1.099957 2.474292 3.057552 3.534415 4.990495 4.462814 2.207220 3.729642 2.506099 0.000000 4.767264 5.862758 4.915358 7.110119 6.145657 6.087273 7.081307 7.816339 7.702935 6.531081 7.117054 8.093463 3.077900 4.076979 2.244867 3.405782 3.546100 4.543525 4.987125 1.099876 3.045889 2.478853 2.793766 4.483401 3.489507 2.210681 4.297731 3.740270 1.784247 0.000000 4.812814 5.571249 5.384323 6.944911 5.494051 6.688327 7.507855 7.728488 7.055525 7.352308 8.000367 8.391992 3.063133 3.410689 4.053248 2.242338 2.795291 4.484393 3.508578 3.537061 4.976552 4.492390 1.099995 2.473968 3.064572 2.204891 2.515073 3.739709 4.289552 3.739738 0.000000 4.792286 5.867972 4.980181 7.135744 6.081235 6.250468 7.335506 8.006375 7.379626 6.715714 7.736690 8.228843 3.090468 4.072341 3.441506 2.247887 3.545278 5.002083 4.504850 2.802380 4.512444 3.557945 1.099902 3.040621 2.483750 2.212854 3.741239 4.298967 3.735435 2.514760 1.784167 0.000000 C14H18 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 0 168.14979999999997 AuxInfo=1/0/N:1;2;3;4;6;7;13;14;15;16;17;20;23;26;5;8;9;10;11;12;18;19;21;22;24;25;27;28;29;30;31;32/rA:32nC0C0C0C0H0C0C0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.1948,.0863,.1333;1.8186,1.2608,.0651;1.7413,-1.1288,.2424;3.3466,1.1493,.1234;1.3607,2.2523,.0798;3.0357,-1.4068,.0909;3.9028,-.2122,-.3305;3.8057,1.9508,-.4759;3.6459,1.3435,1.1725;3.4937,-2.3991,.1599;3.9809,-.2296,-1.4354;4.9304,-.3302,.0474;-.9326,.0657,.0216;-1.213,1.5759,-.1636;-.9723,-.8696,-1.2151;-1.127,-.5768,1.419;-2.7504,1.4263,-.2574;-.7349,1.9808,-1.0681;-.8711,2.169,.6975;-2.5136,-.9968,-1.2732;-.5113,-.4066,-2.101;-.4333,-1.8077,-1.0022;-2.6696,-.6789,1.3352;-.7454,.0608,2.231;-.596,-1.5417,1.4683;-2.6385,-.0823,-.0639;-3.3156,1.9357,.5372;-3.1833,1.715,-1.2267;-2.9772,-.5916,-2.1847;-2.9014,-2.0128,-1.1086;-3.2109,-.0592,2.0653;-3.0731,-1.7011,1.3809; 1.5630051 0.4305523 0.4010784 -10.31612 -10.30046 -10.29393 -10.29287 -10.29120 -10.29073 -10.28980 -10.28978 -10.28756 -10.28579 -10.28339 -10.27917 -10.27876 -10.25949 -1.00551 -0.93161 -0.86481 -0.86179 -0.83095 -0.82439 -0.79886 -0.71047 -0.70394 -0.69158 -0.68299 -0.67208 -0.58300 -0.58086 -0.56606 -0.55398 -0.54270 -0.51987 -0.51634 -0.51345 -0.50982 -0.50249 -0.50048 -0.47159 -0.47152 -0.44165 -0.44066 -0.42823 -0.42195 -0.41904 -0.41551 -0.38444 -0.37593 -0.37434 -0.31595 -0.27390 -0.26302 0.00118 0.04779 0.10264 0.11720 0.12565 0.12955 0.13630 0.13987 0.14915 0.15283 0.16114 0.16472 0.17159 0.17586 0.18390 0.18935 0.19434 0.20578 0.21161 0.21630 0.22111 0.22921 0.24747 0.25045 0.25451 0.25681 0.25808 0.26183 0.26756 0.27074 0.27664 0.28950 0.29211 0.29896 0.30303 0.31850 0.32174 0.33064 0.33491 0.33691 0.34289 0.35435 0.35734 0.35876 0.36573 0.37891 0.38922 0.39881 0.40432 0.40760 0.41057 0.42506 0.43611 0.44150 0.44490 0.46141 0.46455 0.46610 0.47585 0.47845 0.48291 0.48648 0.49157 0.49234 0.49809 0.50042 0.50489 0.50925 0.51224 0.51580 0.52139 0.52272 0.52867 0.53071 0.53225 0.53855 0.54395 0.54723 0.55421 0.56075 0.56363 0.56827 0.57619 0.58426 0.58772 0.59333 0.59708 0.61175 0.62115 0.63575 0.63740 0.64794 0.65491 0.68703 0.69273 0.69664 0.71242 0.71979 0.72151 0.73394 0.74680 0.76755 0.76896 0.77885 0.78111 0.79127 0.79744 0.79894 0.80620 0.81242 0.83057 0.83262 0.84123 0.86630 0.88697 0.88890 0.89257 0.89967 0.90456 0.90960 0.92515 0.92840 0.93293 0.94600 0.95342 0.96473 0.97287 0.99883 1.00937 1.01396 1.03428 1.03652 1.03981 1.05097 1.05825 1.06744 1.07209 1.08330 1.08687 1.09055 1.09929 1.10403 1.10760 1.11097 1.12427 1.13377 1.13942 1.14947 1.15450 1.15971 1.16134 1.16959 1.17899 1.18207 1.18620 1.20026 1.20497 1.21375 1.22161 1.22880 1.23608 1.23891 1.25361 1.25585 1.26098 1.26887 1.27238 1.27757 1.28174 1.30239 1.30274 1.30578 1.31755 1.32601 1.33318 1.34712 1.35492 1.36215 1.36989 1.37927 1.39062 1.40424 1.41020 1.41506 1.42410 1.43157 1.44426 1.45013 1.45693 1.46088 1.47032 1.47642 1.48105 1.48927 1.49042 1.50090 1.50535 1.50693 1.51412 1.52017 1.52912 1.53822 1.54812 1.55731 1.55965 1.56649 1.57497 1.57656 1.57854 1.59098 1.59916 1.60101 1.61975 1.62531 1.62829 1.63239 1.64575 1.64604 1.66296 1.67129 1.68442 1.69696 1.70847 1.71718 1.72513 1.74675 1.74842 1.75755 1.76273 1.77205 1.77483 1.79303 1.80301 1.81449 1.82483 1.83182 1.84421 1.87256 1.89051 1.89692 1.90826 1.91641 1.92672 1.93713 1.94142 1.95028 1.96200 1.97017 1.98576 1.99984 2.01279 2.02718 2.06859 2.07458 2.09863 2.13471 2.15396 2.16195 2.18300 2.21823 2.23984 2.27059 2.28156 2.29922 2.30846 2.33110 2.36647 2.38004 2.40299 2.40859 2.41796 2.43820 2.45543 2.48060 2.48737 2.49120 2.50482 2.51189 2.52145 2.54196 2.56235 2.57569 2.58373 2.59285 2.61032 2.62013 2.62486 2.63510 2.64966 2.67179 2.68595 2.69570 2.69740 2.70723 2.71925 2.73122 2.75205 2.75815 2.76324 2.76894 2.77943 2.78564 2.78934 2.80272 2.81309 2.81491 2.82293 2.83171 2.84425 2.85205 2.85687 2.86166 2.87501 2.87692 2.89522 2.89956 2.91247 2.92070 2.92577 2.93713 2.95329 2.95614 2.97400 2.97813 2.98677 2.99997 3.00708 3.01402 3.03139 3.04360 3.05857 3.08344 3.09701 3.09796 3.11611 3.12282 3.12802 3.13139 3.13811 3.14181 3.14817 3.15733 3.16727 3.17693 3.17772 3.18077 3.19745 3.20439 3.21122 3.21691 3.22373 3.23389 3.23837 3.24311 3.24520 3.25306 3.26518 3.27061 3.27219 3.27666 3.28599 3.29139 3.29783 3.29950 3.31100 3.31827 3.32689 3.33817 3.34098 3.35351 3.35833 3.36343 3.37295 3.37559 3.38087 3.39078 3.41368 3.41881 3.43415 3.43925 3.45136 3.46669 3.47220 3.48166 3.48437 3.49552 3.50236 3.51298 3.51726 3.52572 3.53121 3.53739 3.54631 3.55203 3.55436 3.55913 3.56824 3.58363 3.59229 3.59479 3.60029 3.60560 3.61088 3.61323 3.61770 3.62974 3.63053 3.64132 3.66320 3.66557 3.66755 3.67629 3.68389 3.70057 3.70592 3.71090 3.71498 3.73365 3.74785 3.75279 3.76091 3.76986 3.77882 3.78830 3.80271 3.81070 3.82410 3.83513 3.83734 3.84564 3.85684 3.86667 3.87081 3.87415 3.88653 3.90233 3.90430 3.93245 3.93706 3.94525 3.95359 3.96778 3.97498 3.98060 3.98390 3.99211 3.99643 4.01026 4.02055 4.02909 4.04149 4.04246 4.05280 4.05839 4.06500 4.06987 4.07925 4.08856 4.09799 4.10074 4.10982 4.12784 4.13608 4.13701 4.15657 4.16146 4.16868 4.18148 4.19425 4.20408 4.20964 4.21905 4.22433 4.23136 4.23712 4.24471 4.26009 4.26904 4.27335 4.28368 4.29093 4.29519 4.29976 4.30863 4.31570 4.32213 4.32686 4.34577 4.35125 4.35769 4.36703 4.36868 4.37406 4.38657 4.38879 4.39060 4.40274 4.41669 4.42034 4.42529 4.44141 4.45004 4.45359 4.47423 4.47554 4.48598 4.50247 4.51026 4.51242 4.52661 4.52857 4.54448 4.55808 4.56324 4.57201 4.58707 4.60360 4.62200 4.63153 4.65115 4.65576 4.66556 4.67067 4.67550 4.69715 4.70626 4.71430 4.72504 4.74559 4.75543 4.75850 4.77330 4.78628 4.79925 4.81116 4.82417 4.83333 4.84242 4.86175 4.86806 4.87106 4.87799 4.88340 4.89635 4.92234 4.92773 4.93346 4.95059 4.96598 4.97411 4.98712 5.00308 5.00852 5.01422 5.04811 5.05600 5.06746 5.06943 5.09860 5.10258 5.10864 5.12965 5.13500 5.15696 5.17992 5.19311 5.19686 5.20788 5.21653 5.22313 5.23049 5.25358 5.25554 5.27095 5.27767 5.27912 5.30127 5.31254 5.32493 5.35280 5.35720 5.36363 5.37656 5.38889 5.39327 5.41806 5.42741 5.43763 5.44182 5.46183 5.46969 5.48107 5.48744 5.52445 5.54002 5.54569 5.56638 5.60976 5.62320 5.63651 5.64101 5.66102 5.67259 5.69237 5.70215 5.71086 5.72189 5.74331 5.75387 5.75956 5.76292 5.77541 5.81240 5.84831 5.87729 5.90254 5.94957 5.98011 5.98994 6.00145 6.07821 22.58229 22.86363 23.00515 23.22290 23.35023 23.40843 23.43325 23.44450 23.49902 23.57719 23.61448 23.63315 23.71066 23.84468 -10.31952 -10.29976 -10.29444 -10.29262 -10.29176 -10.29131 -10.29000 -10.28956 -10.28954 -10.28589 -10.28387 -10.27962 -10.27852 -10.25364 -1.00982 -0.93111 -0.86576 -0.86276 -0.83304 -0.82033 -0.80033 -0.71073 -0.70450 -0.69513 -0.68142 -0.67156 -0.58373 -0.58156 -0.56804 -0.55339 -0.54370 -0.52099 -0.51685 -0.51475 -0.51082 -0.50264 -0.49875 -0.47196 -0.47186 -0.44088 -0.43848 -0.42892 -0.42222 -0.41869 -0.41563 -0.38355 -0.37713 -0.37610 -0.32290 -0.27248 -0.24322 0.00155 0.04839 0.10244 0.11638 0.12556 0.12960 0.13416 0.13988 0.14869 0.15190 0.16102 0.16429 0.17029 0.17544 0.18384 0.18992 0.19587 0.20568 0.21128 0.21679 0.22108 0.22930 0.24755 0.25004 0.25433 0.25681 0.25822 0.26154 0.26724 0.27073 0.27571 0.28988 0.29147 0.29618 0.30382 0.31842 0.32227 0.32903 0.33498 0.33730 0.34301 0.35477 0.35709 0.35870 0.36634 0.37888 0.38957 0.39857 0.40444 0.40746 0.41087 0.42517 0.43597 0.44155 0.44492 0.46170 0.46463 0.46612 0.47556 0.47844 0.48290 0.48627 0.49126 0.49195 0.49796 0.49986 0.50509 0.50926 0.51238 0.51550 0.52103 0.52213 0.52798 0.53024 0.53187 0.53936 0.54373 0.54719 0.55457 0.56112 0.56384 0.56810 0.57569 0.58320 0.58766 0.59237 0.59653 0.61182 0.62244 0.63585 0.63689 0.64722 0.65503 0.68807 0.69203 0.69667 0.71225 0.72105 0.72165 0.73393 0.74563 0.76683 0.76975 0.77896 0.78089 0.79077 0.79816 0.79892 0.80554 0.81249 0.83135 0.83295 0.84110 0.86619 0.88646 0.88938 0.89273 0.89953 0.90503 0.90949 0.92418 0.92806 0.93230 0.94541 0.95320 0.96498 0.97339 0.99936 1.00963 1.01437 1.03428 1.03661 1.03966 1.05118 1.05848 1.06852 1.07244 1.08333 1.08653 1.09061 1.09956 1.10477 1.10746 1.11128 1.12489 1.13369 1.13922 1.14931 1.15411 1.15917 1.16117 1.16926 1.17858 1.18140 1.18627 1.20028 1.20538 1.21302 1.22180 1.22919 1.23548 1.23853 1.25381 1.25594 1.26176 1.26833 1.27245 1.27835 1.28188 1.30293 1.30314 1.30638 1.31733 1.32660 1.33391 1.34891 1.35630 1.36213 1.37027 1.37891 1.39018 1.40425 1.40972 1.41520 1.42373 1.43151 1.44432 1.45017 1.45685 1.46046 1.47040 1.47633 1.48084 1.48991 1.49046 1.50050 1.50591 1.50677 1.51596 1.52056 1.52956 1.53899 1.54811 1.55739 1.55969 1.56641 1.57488 1.57649 1.57848 1.59086 1.59807 1.60081 1.61951 1.62586 1.62864 1.63246 1.64542 1.64577 1.66281 1.67080 1.68459 1.69732 1.70812 1.71712 1.72567 1.74705 1.74843 1.75847 1.76274 1.77210 1.77474 1.79297 1.80337 1.81557 1.82514 1.83173 1.84526 1.87409 1.89087 1.89692 1.90834 1.91651 1.92694 1.93617 1.94118 1.94911 1.96062 1.97008 1.98550 2.00001 2.01308 2.02676 2.06882 2.07436 2.09856 2.13391 2.15555 2.16163 2.18179 2.21834 2.23955 2.27081 2.28037 2.29825 2.30818 2.33110 2.36495 2.38051 2.40369 2.40862 2.41800 2.43894 2.45579 2.47962 2.48660 2.49045 2.50471 2.51134 2.52070 2.54168 2.56215 2.57609 2.58436 2.59251 2.61008 2.61977 2.62466 2.63421 2.64978 2.67172 2.68599 2.69556 2.69801 2.70725 2.71891 2.73222 2.75119 2.75775 2.76290 2.76833 2.77963 2.78622 2.78875 2.80330 2.81309 2.81526 2.82372 2.83107 2.84372 2.85152 2.85687 2.86239 2.87487 2.87627 2.89433 2.89930 2.91211 2.92004 2.92583 2.93680 2.95202 2.95587 2.97381 2.97814 2.98671 3.00187 3.00776 3.01404 3.03138 3.04256 3.05832 3.08254 3.09650 3.09784 3.11658 3.12410 3.12746 3.13112 3.13787 3.14205 3.14664 3.15814 3.16773 3.17652 3.17751 3.18032 3.19774 3.20369 3.21027 3.21694 3.22333 3.23367 3.23776 3.24355 3.24460 3.25294 3.26612 3.26998 3.27171 3.27627 3.28667 3.29121 3.29737 3.29933 3.31363 3.31818 3.32626 3.33806 3.34257 3.35312 3.35881 3.36389 3.37328 3.37598 3.38121 3.39131 3.41415 3.42270 3.43419 3.43878 3.45158 3.46648 3.47221 3.48147 3.48635 3.49718 3.50106 3.51323 3.51757 3.52491 3.53055 3.53883 3.54586 3.55218 3.55475 3.55848 3.56749 3.58361 3.59191 3.59543 3.59920 3.60532 3.61090 3.61403 3.61762 3.63022 3.63152 3.64140 3.66274 3.66584 3.66906 3.67644 3.68467 3.70110 3.70563 3.71189 3.71536 3.73395 3.75017 3.75234 3.76101 3.77025 3.77819 3.78828 3.80218 3.81177 3.82367 3.83516 3.83727 3.84475 3.85759 3.86643 3.87062 3.87373 3.88687 3.90152 3.90571 3.93214 3.93679 3.94512 3.95335 3.96743 3.97430 3.98002 3.98319 3.99148 3.99565 4.01006 4.02013 4.02918 4.04115 4.04187 4.05207 4.05824 4.06451 4.06872 4.07835 4.08860 4.09810 4.10056 4.10970 4.12799 4.13632 4.13706 4.15545 4.16037 4.16829 4.18149 4.19403 4.20343 4.20971 4.21859 4.22420 4.23150 4.23673 4.24452 4.25994 4.26821 4.27214 4.28331 4.29102 4.29492 4.29965 4.30829 4.31520 4.32141 4.32740 4.34518 4.35111 4.35704 4.36626 4.36816 4.37307 4.38598 4.38911 4.39085 4.40165 4.41652 4.41998 4.42556 4.44125 4.44951 4.45329 4.47411 4.47587 4.48572 4.50216 4.51018 4.51133 4.52676 4.52869 4.54448 4.55841 4.56326 4.57205 4.58722 4.60397 4.62206 4.63131 4.65103 4.65542 4.66570 4.67081 4.67515 4.69753 4.70563 4.71382 4.72491 4.74531 4.75480 4.75769 4.77325 4.78735 4.79938 4.81030 4.82507 4.83249 4.84175 4.86145 4.86755 4.87051 4.87788 4.88320 4.89644 4.92287 4.92792 4.93329 4.95043 4.96629 4.97422 4.98715 5.00267 5.01009 5.01416 5.04772 5.05694 5.06786 5.06942 5.09824 5.10225 5.10839 5.13049 5.13485 5.15642 5.17966 5.19318 5.19668 5.20707 5.21633 5.22235 5.22993 5.25328 5.25516 5.27048 5.27779 5.27888 5.30066 5.31194 5.32473 5.35260 5.35743 5.36316 5.37623 5.38750 5.39302 5.41770 5.42751 5.43748 5.44159 5.46204 5.46935 5.48118 5.48767 5.52369 5.53970 5.54552 5.56631 5.60986 5.62297 5.63627 5.64117 5.66076 5.67243 5.69260 5.70173 5.71048 5.72173 5.74403 5.75381 5.75947 5.76263 5.77520 5.81257 5.84792 5.87700 5.90364 5.94888 5.97991 5.98978 6.00126 6.08010 22.58433 22.86045 23.00565 23.22461 23.35080 23.40793 23.43314 23.44448 23.49900 23.57693 23.61407 23.63286 23.71051 23.84384 1-A. -1.9783 1.4351 -0.3927 2.4754 -81.3819 -85.2104 -86.1381 1.9798 -0.8580 0.6410 2.8616 -0.9670 -1.8946 1.9798 -0.8580 0.6410 7.0845 5.1634 -3.4189 -4.0180 2.3112 -1.2965 -9.4107 5.3273 0.1256 0.5738 -3026.3091 -706.9508 -459.5355 -7.2733 -3.0210 13.4706 0.2319 -1.8447 3.4032 -614.4265 -589.7393 -201.0187 1.4711 -4.4719 1.1437 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 -543.829323495883 -543.925562122351 -0.096238626469 -544.017720668771 -0.092158546420 -544.042942109820 -0.025221441049 -544.046527093946 -0.003584984126 -544.049094501520 -0.002567407574 -544.050051843645 -0.000957342126 -544.050723321595 -0.000671477949 -544.050915346420 -0.000192024825 -544.051028621408 -0.000113274989 -544.051090005581 -0.000061384173 -544.051113136628 -0.000023131047 -544.051129206602 -0.000016069974 -544.051151213459 -0.000022006857 -544.051164905782 -0.000013692323 -544.051164741790 0.000000163992 -544.051162781099 0.000001960692 -544.051164137828 -0.000001356730 -544.051160014526 0.000004123302 -544.051155893018 0.000004121508 -544.051041951149 0.000113941869 -544.051058882202 -0.000016931053 -544.051059064958 -0.000000182756 -544.051059147155 -0.000000082197 -544.051059220672 -0.000000073517 -544.051059349967 -0.000000129294 -544.051059502960 -0.000000152993 -544.051059555315 -0.000000052356 -544.051059579792 -0.000000024477 -544.051059592342 -0.000000012550 -544.051059609348 -0.000000017006 -544.051059618883 -0.000000009535 -544.051059622645 -0.000000003762 -544.051059623696 -0.000000001050 -544.051059623980 -0.000000000285 -544.051059624040 -0.000000000060 -544.051059624048 -0.000000000008 -544.051059624051 -0.000000000003 -544.051059624 38 0.2393 5.407776640324e+02 -3.033238184440e+03 1.062138189307e+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. 0.2393 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 H C C H H H H H C C C C C H H C H H C H H C H H H H H H 13 13 13 13 1 13 13 1 1 1 1 1 13 13 13 13 13 1 1 13 1 1 13 1 1 13 1 1 1 1 1 1 -0.07615 0.02836 0.17257 -0.01973 -0.00520 0.00440 0.01885 0.00069 0.00218 0.00349 -0.00224 0.00018 -0.01684 -0.02998 -0.04352 -0.04601 0.01007 -0.00034 -0.00029 0.01021 -0.00008 -0.00015 0.01019 -0.00008 -0.00004 -0.04676 -0.00086 -0.00082 -0.00073 -0.00062 -0.00069 -0.00064 -42.80241 15.94262 97.00357 -11.09183 -11.61087 2.47536 10.59502 1.54197 4.88249 7.79485 -5.00428 0.39622 -9.46716 -16.85002 -24.46020 -25.86322 5.65900 -0.76060 -0.64835 5.74079 -0.18882 -0.34488 5.72685 -0.16879 -0.08219 -26.28168 -1.92255 -1.83683 -1.64229 -1.39362 -1.54436 -1.42337 -15.27296 5.68872 34.61329 -3.95784 -4.14305 0.88327 3.78057 0.55021 1.74219 2.78140 -1.78565 0.14138 -3.37812 -6.01251 -8.72801 -9.22864 2.01927 -0.27140 -0.23135 2.04846 -0.06737 -0.12306 2.04348 -0.06023 -0.02933 -9.37796 -0.68602 -0.65543 -0.58601 -0.49728 -0.55107 -0.50790 -14.27735 5.31789 32.35691 -3.69984 -3.87297 0.82569 3.53412 0.51435 1.62862 2.60008 -1.66925 0.13217 -3.15790 -5.62056 -8.15904 -8.62704 1.88764 -0.25371 -0.21627 1.91492 -0.06298 -0.11504 1.91027 -0.05630 -0.02742 -8.76662 -0.64130 -0.61270 -0.54781 -0.46486 -0.51514 -0.47479 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 -0.286138 -0.047124 0.052212 -0.024969 -0.002425 0.086226 0.000373 -0.000102 -0.000167 0.009755 -0.000865 0.002195 0.063058 -0.000847 -0.002839 0.000273 0.000457 0.000873 0.000996 0.002303 0.000173 0.004245 0.001492 0.000592 0.005914 -0.286711 0.001170 0.001227 0.001725 0.002148 0.001522 0.002041 0.220133 -0.038077 0.046246 0.012132 0.001928 0.022960 0.016836 0.000265 0.001674 -0.005475 -0.001567 -0.001329 -0.030062 -0.014389 0.011063 0.015741 -0.000815 -0.000126 -0.000654 -0.000847 0.001352 -0.005541 -0.000109 0.001827 -0.004789 0.142989 -0.002818 -0.002029 0.001298 -0.002266 0.001916 -0.000912 0.066005 0.085201 -0.098458 0.012837 0.000497 -0.109186 -0.017209 -0.000164 -0.001507 -0.004280 0.002432 -0.000866 -0.032996 0.015236 -0.008224 -0.016015 0.000358 -0.000748 -0.000342 -0.001455 -0.001525 0.001296 -0.001383 -0.002419 -0.001125 0.143722 0.001648 0.000802 -0.003023 0.000118 -0.003438 -0.001129 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 0.035603 0.008940 0.327274 0.002327 -0.006812 -0.004512 0.028805 -0.000160 0.000158 -0.001667 0.001561 0.000107 0.009101 -0.015773 0.002029 -0.002189 0.003673 -0.001403 -0.001342 -0.002439 -0.000814 0.001141 -0.002009 -0.001448 -0.000659 -0.033290 0.001338 0.001071 -0.000658 -0.000448 -0.000610 -0.000709 0.012461 0.016138 -0.087798 -0.002941 0.000401 -0.037207 -0.011587 0.000108 -0.000536 -0.002388 -0.000827 0.001503 0.004514 0.000219 0.013246 -0.011207 -0.000365 0.001178 -0.000723 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-1.213 0.552 0.66 -1.134 0.516 0.617 4 C 13 0.8025 0.589 -0.0951 0.11 0.0105 0.9939 -0.5864 0.8081 0.0564 -0.0075 5.0E-4 0.0069 -3.987 0.293 3.694 -1.423 0.105 1.318 -1.33 0.098 1.232 5 H 1 0.1772 0.1885 0.9659 -0.0417 0.982 -0.184 0.9833 0.0076 -0.1819 -0.1213 0.0283 0.0931 -16.284 3.794 12.49 -5.81 1.354 4.457 -5.432 1.266 4.166 6 C 13 0.5938 -0.1681 0.7868 -0.5544 0.6232 0.5516 0.5831 0.7638 -0.2769 -0.0231 -0.0205 0.0436 -3.104 -2.748 5.852 -1.108 -0.98 2.088 -1.035 -0.917 1.952 7 C 13 -0.1829 -0.6281 0.7564 0.9822 -0.0825 0.1689 -0.0437 0.7738 0.632 -0.0011 -1.0E-4 0.0012 -0.586 -0.037 0.623 -0.209 -0.013 0.222 -0.195 -0.012 0.208 8 H 1 0.3336 -0.0559 0.9411 0.9397 -0.0599 -0.3367 0.0752 0.9966 0.0325 -0.0017 0.0 0.0017 -0.91 0.008 0.902 -0.325 0.003 0.322 -0.304 0.003 0.301 9 H 1 0.0284 0.8978 -0.4395 0.1993 0.4258 0.8826 0.9795 -0.1127 -0.1668 -0.006 -0.0044 0.0104 -3.186 -2.338 5.524 -1.137 -0.834 1.971 -1.063 -0.78 1.843 10 H 1 -0.6186 0.7854 0.0217 0.7229 0.5581 0.4073 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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)|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) 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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) GINC-MOLSCI-D140-105 FOO 21-Jun-2026 0 Title Card Required 0 1 Version=ES64L-G16RevC.02 State=1-A HF=-544.0510596 S2=0.239328 S2-1=0. 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