Gaussian 16 20-Jun-2026 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 30 30 50 50 658 (5D, 7F) def2TZVPP 84 C1[X(C14H16)] 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;5;6;8;10;15;16;17;18;22;24;7;9;11;12;13;14;19;20;21;23;25;26;27;28;29;30/rA:30nC0C0C0C0C0C0H0C0H0C0H0H0H0H0C0C0C0C0H0H0H0C0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.7027,-.1067,.2321;-1.5919,.9489,.9358;-1.7003,-1.2781,.3706;-1.19,.253,-1.0741;-2.6486,-.2074,1.0157;-2.1343,1.3345,-.4726;-1.3106,1.6043,1.7714;-2.245,-.89,-1.0398;-1.5096,-2.2776,.7857;-3.1873,.1752,-.3816;-3.2737,-.3981,1.8944;-2.3395,2.339,-.8657;-2.5339,-1.5613,-1.8592;-4.25,.2909,-.6255;1.2043,-.2794,.6294;1.5703,-1.3266,-.3926;2.8444,-1.1039,.2818;1.6761,1.1634,.426;1.0306,-.6215,1.6526;1.4297,-.987,-1.4289;1.085,-2.2926,-.2186;3.7521,.0051,-.1601;3.1795,-1.8211,1.0353;2.8471,1.1757,-.5595;1.9985,1.572,1.3971;.8631,1.8076,.0575;4.4076,-.3013,-.9965;4.4139,.2933,.6727;2.4657,1.0323,-1.5824;3.3788,2.1386,-.5573; /opt/g16/c02-avx2/g16/g16 /opt/g16/c02-avx2/g16/l1.exe "/fast/scratch/foo/job_765_F-TS-cubene-fo_tight_redo_stableSP/Gau-83425.inp" -scrdir="/fast/scratch/foo/job_765_F-TS-cubene-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 12 12 12 12 12 12 1 12 1 12 1 1 1 1 12 12 12 12 1 1 1 12 1 12 1 1 1 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 1 0 1 0 1 1 1 1 0 0 0 0 1 1 1 0 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 (Enter /opt/g16/c02-avx2/g16/l101.exe) 0.10000e-02 0.10000e-05 F 744 A 658 A 986 744 889.1200751770 30 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 -0.0243005665 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;5;6;8;10;15;16;17;18;22;24;7;9;11;12;13;14;19;20;21;23;25;26;27;28;29;30/rA:30nC0C0C0C0C0C0H0C0H0C0H0H0H0H0C0C0C0C0H0H0H0C0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.7027,-.1067,.2321;-1.592,.9489,.9358;-1.7003,-1.2781,.3706;-1.19,.253,-1.0741;-2.6486,-.2074,1.0157;-2.1343,1.3345,-.4726;-1.3106,1.6043,1.7714;-2.245,-.89,-1.0398;-1.5096,-2.2776,.7857;-3.1873,.1752,-.3816;-3.2737,-.3981,1.8944;-2.3395,2.339,-.8657;-2.5339,-1.5613,-1.8592;-4.2501,.2909,-.6255;1.2043,-.2794,.6294;1.5703,-1.3266,-.3925;2.8444,-1.1039,.2818;1.6761,1.1634,.426;1.0306,-.6215,1.6526;1.4297,-.987,-1.4289;1.085,-2.2926,-.2186;3.7521,.0051,-.1601;3.1794,-1.8211,1.0353;2.8471,1.1757,-.5595;1.9985,1.572,1.3971;.8631,1.8076,.0575;4.4076,-.3013,-.9965;4.4139,.2933,.6727;2.4657,1.0323,-1.5824;3.3789,2.1386,-.5573; 0.000000 1.549307 0.000000 1.544870 2.300227 0.000000 1.439844 2.164686 2.166143 0.000000 2.100171 1.568453 1.569041 2.589818 0.000000 2.150190 1.557723 2.779422 1.556702 2.203857 0.000000 2.380397 1.098521 3.228363 3.152348 2.375611 2.405542 0.000000 2.147076 2.776926 1.560950 1.555867 2.203203 2.298350 3.872627 0.000000 2.381210 3.231044 1.098917 3.156782 2.374003 3.875672 4.009967 2.408082 0.000000 2.574711 2.208911 2.211109 2.115384 1.545650 1.568707 3.193643 1.567117 3.192726 0.000000 3.075366 2.358308 2.360442 3.684823 1.095040 3.146839 2.806879 3.147956 2.805946 2.348669 0.000000 3.140958 2.395101 3.875616 2.390819 3.181088 1.097989 2.924449 3.235051 4.972778 2.373803 3.997811 0.000000 3.137337 3.873092 2.397316 2.390480 3.179831 3.235437 4.969756 1.097969 2.925431 2.371834 3.998674 4.029520 0.000000 3.671147 3.152182 3.155200 3.093042 2.346595 2.364036 4.013759 2.363611 4.012358 1.096547 2.788873 2.811147 2.810305 0.000000 1.955560 3.069460 3.082370 2.986292 3.872868 3.868531 3.343189 3.880250 3.373713 4.529276 4.654692 4.652903 4.670185 5.625811 0.000000 2.654270 4.116169 3.358874 3.252552 4.586449 4.562092 4.644622 3.894374 3.432006 4.989027 5.436604 5.380249 4.364780 6.045475 1.508327 0.000000 3.684938 4.931842 4.548907 4.467203 5.613859 5.594897 5.178515 5.262503 4.537435 6.201374 6.366249 6.327939 5.806853 7.286970 1.868322 1.458610 0.000000 2.703619 3.314538 4.167069 3.360576 4.574951 3.918704 3.305271 4.662601 4.703020 5.028024 5.393982 4.378954 5.510952 6.081632 1.531608 2.623241 2.554706 0.000000 2.299406 3.139743 3.087548 3.623668 3.756876 4.284797 3.232577 4.248635 3.153865 4.750103 4.316901 5.144300 5.091402 5.823066 1.092713 2.229610 2.324093 2.259875 0.000000 2.842710 4.297681 3.622139 2.919913 4.818342 4.359590 4.946271 3.696434 3.899948 4.874782 5.788998 5.058219 4.028033 5.876878 2.188225 1.099657 2.223034 2.850556 3.128696 0.000000 2.859570 4.359621 3.022278 3.519607 4.450987 4.856397 4.988440 3.705430 2.782184 4.936468 5.201096 5.796320 4.040168 5.941615 2.187768 1.095018 2.181503 3.564989 2.509391 1.813430 0.000000 4.473413 5.536295 5.626454 5.031944 6.511270 6.042746 5.649663 6.126941 5.812943 6.944941 7.331089 6.561371 6.697336 8.020738 2.682484 2.566594 1.499746 2.448435 3.329387 2.826248 3.520865 0.000000 4.319162 5.518059 4.954674 5.276664 6.047368 6.361415 5.695193 5.881938 4.717811 6.821117 6.663758 7.167845 6.410024 7.900395 2.538239 2.207354 1.092793 3.396799 2.537203 3.135262 2.486257 2.256495 0.000000 3.856524 4.689673 5.250329 4.173050 5.881986 4.984770 4.785751 5.516103 5.719794 6.119361 6.779608 5.324263 6.175475 7.152439 2.496025 2.814213 2.429977 1.530580 3.379804 2.728092 3.905261 1.532565 3.410934 0.000000 3.386997 3.673182 4.781030 4.244156 4.990735 4.542290 3.330343 5.477858 5.244011 5.657452 5.650193 4.952400 6.400313 6.691514 2.155915 3.433392 3.019948 1.101785 2.411107 3.854672 4.287243 2.820503 3.610878 2.169225 0.000000 2.479279 2.745188 4.023786 2.812891 4.160597 3.080509 2.775537 4.259249 4.780011 4.388952 5.035109 3.375083 5.153941 5.376914 2.190691 3.244372 3.528846 1.100774 2.910797 3.215609 4.115490 3.412097 4.414571 2.171714 1.771732 0.000000 5.259565 6.425894 6.334849 5.625511 7.338160 6.763720 6.632539 6.678733 6.488103 7.634629 8.207873 7.246494 7.107551 8.685852 3.592457 3.076721 2.173046 3.410297 4.303989 3.086343 3.951038 1.105960 2.818895 2.192663 3.878482 4.257005 0.000000 5.151098 6.047261 6.320158 5.869950 7.088551 6.728694 5.974580 6.976632 6.458311 7.674836 7.814699 7.222153 7.623817 8.760679 3.260625 3.441612 2.137394 2.883311 3.639148 3.868045 4.308512 1.102147 2.475025 2.179866 2.827377 3.908921 1.771967 0.000000 3.824758 4.776298 5.148611 3.772180 5.868850 4.741652 5.082850 5.116630 5.689159 5.842284 6.861102 5.030947 5.639120 6.823962 2.864318 2.789646 2.860536 2.162032 3.906402 2.274767 3.849931 2.175535 3.937486 1.101118 3.063840 2.420473 2.427588 3.070424 0.000000 4.724789 5.324801 6.191355 4.969551 6.656450 5.572163 5.262977 6.405653 6.723310 6.855609 7.530055 5.730132 7.095434 7.849755 3.461779 3.912213 3.391717 2.194788 4.244474 3.785277 5.001234 2.201984 4.272547 1.099913 2.458843 2.610837 2.684107 2.447302 1.763132 0.000000 C14H16 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 0 168.14979999999997 AuxInfo=1/0/N:1;2;3;4;5;6;8;10;15;16;17;18;22;24;7;9;11;12;13;14;19;20;21;23;25;26;27;28;29;30/rA:30nC0C0C0C0C0C0H0C0H0C0H0H0H0H0C0C0C0C0H0H0H0C0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.7027,-.1067,.2321;-1.592,.9489,.9358;-1.7003,-1.2781,.3706;-1.19,.253,-1.0741;-2.6486,-.2074,1.0157;-2.1343,1.3345,-.4726;-1.3106,1.6043,1.7714;-2.245,-.89,-1.0398;-1.5096,-2.2776,.7857;-3.1873,.1752,-.3816;-3.2737,-.3981,1.8944;-2.3395,2.339,-.8657;-2.5339,-1.5613,-1.8592;-4.2501,.2909,-.6255;1.2043,-.2794,.6294;1.5703,-1.3266,-.3925;2.8444,-1.1039,.2818;1.6761,1.1634,.426;1.0306,-.6215,1.6526;1.4297,-.987,-1.4289;1.085,-2.2926,-.2186;3.7521,.0051,-.1601;3.1794,-1.8211,1.0353;2.8471,1.1757,-.5595;1.9985,1.572,1.3971;.8631,1.8076,.0575;4.4076,-.3013,-.9965;4.4139,.2933,.6727;2.4657,1.0323,-1.5824;3.3789,2.1386,-.5573; 1.9091713 0.4730033 0.4416702 -10.31365 -10.30579 -10.29539 -10.29300 -10.29236 -10.29053 -10.29018 -10.28897 -10.28796 -10.28474 -10.28411 -10.28379 -10.28140 -10.25419 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0.60802 0.61192 0.62324 0.63207 0.63537 0.65005 0.66841 0.67309 0.68320 0.70510 0.72189 0.73311 0.73606 0.75223 0.76141 0.77212 0.77808 0.79724 0.81764 0.83166 0.83854 0.84557 0.85344 0.86437 0.87857 0.88092 0.89076 0.89822 0.90165 0.91342 0.92225 0.93044 0.94711 0.95839 0.96936 0.98177 0.98657 0.99268 0.99477 1.00179 1.01326 1.01568 1.02659 1.02947 1.03070 1.04303 1.05567 1.06221 1.06417 1.07720 1.08995 1.09258 1.09573 1.10857 1.11921 1.12946 1.13412 1.14653 1.14988 1.15916 1.16278 1.17538 1.17852 1.18417 1.19282 1.19952 1.21084 1.21375 1.22672 1.23233 1.23819 1.24491 1.25231 1.25544 1.26093 1.26528 1.27836 1.28245 1.28447 1.29111 1.29876 1.30428 1.31266 1.32053 1.32263 1.33257 1.33634 1.34030 1.34859 1.36016 1.37103 1.38025 1.38500 1.39788 1.39967 1.41084 1.41359 1.43038 1.44025 1.44532 1.46257 1.47131 1.47957 1.48575 1.49302 1.50073 1.51475 1.52214 1.53041 1.54541 1.54735 1.55784 1.56738 1.58622 1.59324 1.60790 1.62045 1.62916 1.63614 1.64490 1.65211 1.65577 1.66261 1.67084 1.68808 1.69357 1.69739 1.71092 1.71842 1.72825 1.73825 1.74141 1.74469 1.76566 1.78390 1.79242 1.79862 1.80951 1.82471 1.82706 1.84439 1.85109 1.86588 1.88795 1.89254 1.90701 1.91748 1.91940 1.93746 1.95367 1.96597 1.98361 1.99102 2.04190 2.05991 2.09593 2.12037 2.12241 2.13279 2.16386 2.17896 2.19222 2.20330 2.21270 2.21813 2.22877 2.25000 2.27547 2.28048 2.29082 2.32273 2.34205 2.37027 2.38577 2.39627 2.40671 2.43906 2.46549 2.48143 2.48937 2.49575 2.50209 2.51759 2.52354 2.54584 2.56416 2.57365 2.58058 2.60489 2.61917 2.62712 2.64477 2.65028 2.66353 2.67005 2.67985 2.69387 2.70145 2.70288 2.70719 2.72650 2.73753 2.74439 2.75537 2.76396 2.79508 2.80436 2.81716 2.82513 2.83189 2.83796 2.84012 2.84876 2.85665 2.86704 2.87688 2.88882 2.89712 2.90160 2.92403 2.93044 2.93832 2.95676 2.96158 2.96725 2.98030 2.99251 3.00269 3.00626 3.02267 3.03572 3.05250 3.06781 3.07521 3.08392 3.09560 3.11285 3.12118 3.12562 3.13205 3.14710 3.15628 3.16182 3.16519 3.18157 3.18326 3.19262 3.19918 3.20637 3.21301 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4.25792 4.26774 4.26878 4.27426 4.29108 4.29577 4.29841 4.30303 4.31839 4.32193 4.33135 4.33659 4.34707 4.35169 4.37448 4.37884 4.38601 4.39792 4.41189 4.42134 4.43726 4.44697 4.44870 4.46350 4.46828 4.49439 4.49863 4.50207 4.52660 4.53198 4.55656 4.56272 4.57268 4.59351 4.59890 4.60950 4.62383 4.62587 4.63948 4.64930 4.65551 4.66690 4.69046 4.70494 4.71503 4.71943 4.73724 4.74258 4.76998 4.77390 4.77950 4.80025 4.80332 4.80922 4.83145 4.84914 4.86927 4.87540 4.88637 4.90211 4.91251 4.92453 4.94561 4.95133 4.95511 4.95873 4.97614 4.98029 5.00218 5.01715 5.02678 5.05274 5.05468 5.07033 5.07775 5.08471 5.09257 5.10642 5.11801 5.12845 5.13158 5.14346 5.14682 5.17073 5.18722 5.21337 5.22177 5.22631 5.24783 5.25441 5.27720 5.28575 5.32662 5.33867 5.35695 5.36884 5.37911 5.41382 5.42483 5.43549 5.45723 5.46783 5.48775 5.49958 5.50753 5.51320 5.54007 5.54969 5.56762 5.57657 5.58804 5.59616 5.60273 5.61950 5.64868 5.65747 5.66540 5.67676 5.70323 5.71528 5.74073 5.76442 5.79783 5.80945 5.85119 5.87036 5.90278 5.91560 5.92462 5.93426 5.94116 5.99175 5.99893 6.02363 6.44225 22.70959 22.99514 23.08624 23.16505 23.19175 23.41848 23.48721 23.52189 23.59518 23.63613 23.72314 23.78509 23.80983 24.28851 -10.31484 -10.30150 -10.29537 -10.29272 -10.29092 -10.29060 -10.28939 -10.28895 -10.28824 -10.28508 -10.28441 -10.28360 -10.28129 -10.25902 -1.06539 -0.96582 -0.86091 -0.83649 -0.83035 -0.81711 -0.80827 -0.71851 -0.66956 -0.65192 -0.64725 -0.63488 -0.61335 -0.59924 -0.59252 -0.55198 -0.53019 -0.52770 -0.52634 -0.51900 -0.51105 -0.50352 -0.48172 -0.46002 -0.43782 -0.42747 -0.41483 -0.41027 -0.40733 -0.39064 -0.36162 -0.35376 -0.34616 -0.33904 -0.31319 -0.23491 0.02059 0.10174 0.11539 0.12169 0.12619 0.13139 0.13958 0.14722 0.16128 0.16797 0.17235 0.17684 0.18133 0.18438 0.18577 0.18866 0.19124 0.20107 0.20536 0.21845 0.23089 0.24305 0.24514 0.25503 0.25525 0.26098 0.26297 0.27223 0.28280 0.28561 0.29163 0.29549 0.30392 0.30481 0.31163 0.32033 0.32551 0.33240 0.33850 0.34333 0.34550 0.35568 0.36532 0.37220 0.38076 0.40194 0.40373 0.41654 0.42008 0.42681 0.43540 0.44717 0.45346 0.45631 0.45971 0.46796 0.47424 0.47583 0.48209 0.48687 0.48891 0.49145 0.49536 0.49871 0.50175 0.50558 0.50746 0.51321 0.51469 0.51909 0.52118 0.52490 0.52924 0.53256 0.53866 0.54487 0.55201 0.55884 0.56306 0.56552 0.56949 0.57611 0.58037 0.59323 0.60842 0.61326 0.62246 0.63226 0.63528 0.64990 0.66835 0.67312 0.68348 0.70503 0.72148 0.73260 0.73628 0.75232 0.76108 0.77198 0.77847 0.79729 0.81544 0.83214 0.83800 0.84560 0.85377 0.86465 0.87865 0.88086 0.89106 0.89834 0.90139 0.91208 0.92269 0.93162 0.94742 0.95884 0.96980 0.98173 0.98626 0.99294 0.99564 1.00157 1.01411 1.01555 1.02636 1.02944 1.03086 1.04262 1.05587 1.06092 1.06405 1.07691 1.09000 1.09313 1.09564 1.10830 1.11946 1.12936 1.13538 1.14622 1.15048 1.15808 1.16311 1.17590 1.17860 1.18449 1.19397 1.19976 1.21135 1.21368 1.22698 1.23213 1.23782 1.24439 1.25252 1.25581 1.26102 1.26467 1.27792 1.28217 1.28360 1.29108 1.29815 1.30393 1.31285 1.32060 1.32273 1.33357 1.33625 1.34017 1.34831 1.35982 1.37117 1.38014 1.38512 1.39759 1.39922 1.41023 1.41399 1.43006 1.44029 1.44475 1.46328 1.47147 1.48030 1.48591 1.49294 1.50096 1.51511 1.52228 1.53102 1.54582 1.54809 1.55817 1.56723 1.58623 1.59259 1.60921 1.62189 1.62876 1.63550 1.64491 1.65263 1.65565 1.66249 1.67001 1.68791 1.69289 1.69775 1.71026 1.71942 1.72830 1.73915 1.74208 1.74513 1.76543 1.78417 1.79280 1.79832 1.80895 1.82461 1.82900 1.84496 1.85122 1.86619 1.88782 1.89244 1.90683 1.91695 1.91918 1.93718 1.95395 1.96610 1.98437 1.98951 2.04221 2.06253 2.09574 2.12099 2.12254 2.13323 2.16374 2.17810 2.19235 2.20405 2.21082 2.21875 2.22688 2.25079 2.27496 2.28036 2.29078 2.32404 2.34129 2.37146 2.38580 2.39575 2.40644 2.43686 2.46541 2.48076 2.49000 2.49547 2.50124 2.51758 2.52351 2.54534 2.56449 2.57415 2.58031 2.60571 2.61922 2.62895 2.64541 2.65049 2.66393 2.66958 2.67886 2.69411 2.70208 2.70333 2.70701 2.72611 2.73831 2.74465 2.75579 2.76440 2.79546 2.80414 2.81795 2.82491 2.83210 2.83784 2.83982 2.84835 2.85717 2.86699 2.87678 2.88853 2.89642 2.90236 2.92404 2.93087 2.93942 2.95732 2.96189 2.96698 2.98040 2.99207 3.00332 3.00627 3.02314 3.03582 3.05298 3.06747 3.07649 3.08406 3.09462 3.11335 3.12013 3.12469 3.13169 3.14669 3.15753 3.16367 3.16479 3.18260 3.18367 3.19203 3.19964 3.20632 3.21304 3.21894 3.22415 3.23534 3.24128 3.25180 3.26113 3.27234 3.27849 3.27863 3.28704 3.29751 3.31220 3.31487 3.31588 3.32441 3.33893 3.34902 3.35509 3.35911 3.37109 3.37769 3.37831 3.38776 3.39354 3.40381 3.41680 3.42494 3.42672 3.43369 3.44185 3.45385 3.47171 3.47554 3.48042 3.49622 3.50833 3.51388 3.52363 3.53801 3.54273 3.55435 3.55647 3.57173 3.58116 3.59132 3.60128 3.60646 3.61714 3.62852 3.63837 3.64351 3.65615 3.66435 3.67175 3.67463 3.68082 3.70025 3.70768 3.71295 3.71655 3.72195 3.73382 3.73966 3.74605 3.75936 3.76578 3.76877 3.77560 3.78254 3.79007 3.79771 3.80640 3.81103 3.82290 3.82684 3.83693 3.84314 3.85140 3.86284 3.88017 3.89123 3.89692 3.90604 3.91004 3.91834 3.92295 3.93179 3.93364 3.93871 3.94199 3.94644 3.95412 3.97043 3.98199 3.99061 3.99378 4.01019 4.01789 4.03125 4.03971 4.04311 4.05239 4.06480 4.07018 4.08115 4.09558 4.10163 4.10597 4.10891 4.12054 4.12451 4.13138 4.14728 4.16192 4.16774 4.17843 4.18763 4.19264 4.19681 4.20790 4.21280 4.22045 4.23356 4.23683 4.24972 4.25784 4.26761 4.26900 4.27386 4.29072 4.29623 4.29778 4.30249 4.31909 4.32069 4.33124 4.33597 4.34742 4.35149 4.37375 4.37957 4.38664 4.39699 4.41223 4.42208 4.43688 4.44800 4.44930 4.46402 4.46815 4.49487 4.49845 4.50200 4.52750 4.53225 4.55714 4.56296 4.57197 4.59309 4.59821 4.60963 4.62418 4.62776 4.63918 4.64892 4.65569 4.66674 4.69119 4.70535 4.71657 4.72048 4.73849 4.74301 4.76984 4.77354 4.77935 4.80067 4.80390 4.80961 4.83154 4.84948 4.86893 4.87563 4.88582 4.90244 4.91192 4.92522 4.94652 4.95100 4.95535 4.95910 4.97656 4.98126 5.00278 5.01794 5.02720 5.05159 5.05511 5.07060 5.07740 5.08528 5.09270 5.10609 5.11796 5.12810 5.13097 5.14370 5.14704 5.16957 5.18675 5.21396 5.22176 5.22606 5.24850 5.25447 5.27796 5.28550 5.32614 5.33897 5.35731 5.36901 5.37905 5.41310 5.42458 5.43579 5.45763 5.46692 5.48797 5.49950 5.50640 5.51317 5.53986 5.55059 5.56686 5.57660 5.58805 5.59619 5.60350 5.61953 5.64928 5.65777 5.66555 5.67710 5.70360 5.71502 5.74083 5.76558 5.79831 5.80997 5.85109 5.87005 5.90285 5.91622 5.92394 5.93381 5.94069 5.99115 5.99839 6.02481 6.44110 22.70586 22.99328 23.08883 23.16697 23.19302 23.41881 23.48707 23.52202 23.59540 23.63544 23.72348 23.78465 23.81029 24.28806 1-A. 0.8622 -0.5626 1.8782 2.1418 -78.5966 -82.5219 -85.7342 0.4562 -0.8018 0.1586 3.6876 -0.2377 -3.4500 0.4562 -0.8018 0.1586 0.5709 -1.5857 10.9618 2.5257 2.7096 2.6916 3.0950 -2.9756 2.9247 -1.2904 -2744.0465 -589.1802 -392.7616 8.1279 6.5270 2.5485 -6.0503 -11.7277 6.5431 -569.3208 -519.4662 -161.8104 -5.8126 8.3757 2.3228 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= 740 740 740 740 740 MxSgAt= 30 MxSgA2= 30. 1 open 1 0 1 -542.578587766811 -542.661273749021 -0.082685982210 -542.750350046425 -0.089076297404 -542.759266529919 -0.008916483494 -542.761056206044 -0.001789676124 -542.761953304908 -0.000897098865 -542.762467568463 -0.000514263555 -542.762734533910 -0.000266965447 -542.762992045143 -0.000257511233 -542.762997595807 -0.000005550665 -542.763172834880 -0.000175239072 -542.763256204517 -0.000083369637 -542.763262755521 -0.000006551004 -542.763254399714 0.000008355807 -542.763328289424 -0.000073889710 -542.763370257753 -0.000041968329 -542.763440064453 -0.000069806701 -542.763460104456 -0.000020040002 -542.763475714971 -0.000015610515 -542.763474299665 0.000001415306 -542.763391280938 0.000083018727 -542.763394978986 -0.000003698048 -542.763390828803 0.000004150183 -542.763388724654 0.000002104149 -542.763319712191 0.000069012463 -542.763383664341 -0.000063952150 -542.763386326731 -0.000002662390 -542.763387535045 -0.000001208314 -542.763390109006 -0.000002573961 -542.763393903854 -0.000003794848 -542.763397756256 -0.000003852402 -542.763398525043 -0.000000768787 -542.763398706807 -0.000000181764 -542.763398726948 -0.000000020140 -542.763398729203 -0.000000002256 -542.763398729559 -0.000000000355 -542.763398729705 -0.000000000146 -542.763398729722 -0.000000000017 -542.763398729734 -0.000000000012 -542.763398729743 -0.000000000009 -542.763398730 40 0.2776 5.395898183394e+02 -3.036560963624e+03 1.065111971945e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 64424509440 LenX= 64423347594 LenY= 64422793314 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. 0.2776 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 C C C C C C H C H C H H H H C C C C H H H C H C H H H H H H 13 13 13 13 13 13 1 13 1 13 1 1 1 1 13 13 13 13 1 1 1 13 1 13 1 1 1 1 1 1 0.11615 -0.01732 -0.01596 -0.09927 -0.00250 0.00600 0.00125 0.00676 0.00138 -0.02656 -0.00104 0.00005 -0.00025 -0.00496 0.05257 0.00418 0.03804 0.00858 0.00620 0.00159 0.00025 -0.00952 -0.00413 0.00482 -0.00049 -0.00176 0.00930 0.00151 -0.00013 -0.00032 65.28603 -9.73644 -8.97054 -55.79781 -1.40767 3.37497 2.79837 3.79998 3.08983 -14.92874 -2.33295 0.10402 -0.55165 -11.08461 29.54908 2.35056 21.38114 4.82266 13.85763 3.55851 0.56579 -5.35240 -9.22966 2.70704 -1.09797 -3.92237 20.78691 3.37315 -0.28111 -0.72130 23.29568 -3.47420 -3.20091 -19.91005 -0.50229 1.20427 0.99853 1.35593 1.10253 -5.32694 -0.83245 0.03712 -0.19684 -3.95526 10.54385 0.83874 7.62932 1.72084 4.94475 1.26976 0.20189 -1.90987 -3.29337 0.96594 -0.39178 -1.39960 7.41729 1.20362 -0.10031 -0.25738 21.77707 -3.24773 -2.99225 -18.61215 -0.46955 1.12577 0.93343 1.26754 1.03066 -4.97969 -0.77819 0.03470 -0.18401 -3.69743 9.85651 0.78406 7.13198 1.60867 4.62241 1.18699 0.18873 -1.78537 -3.07868 0.90297 -0.36624 -1.30836 6.93377 1.12516 -0.09377 -0.24060 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 0.209671 0.001189 0.000953 -0.086902 0.005280 -0.022758 0.000232 -0.022874 0.001506 -0.010356 0.001144 0.000972 0.000138 -0.003159 -0.147242 -0.007725 -0.019821 0.002429 0.002340 -0.004146 0.001397 -0.000317 -0.014425 -0.004564 -0.000905 -0.000128 0.000334 0.001810 -0.003383 -0.001600 -0.096415 0.013749 0.005780 0.196661 0.000760 0.018390 0.001882 0.011789 -0.000909 0.010525 0.000110 -0.005086 -0.002943 0.002343 0.076374 0.011292 -0.012644 0.003966 0.000334 -0.001714 0.000794 -0.000362 0.004113 0.009242 0.001996 0.002306 -0.000257 0.001452 0.001844 0.002476 -0.113256 -0.014937 -0.006732 -0.109759 -0.006039 0.004368 -0.002114 0.011085 -0.000597 -0.000169 -0.001254 0.004114 0.002805 0.000815 0.070868 -0.003566 0.032465 -0.006395 -0.002674 0.005859 -0.002190 0.000679 0.010311 -0.004679 -0.001092 -0.002178 -0.000077 -0.003262 0.001539 -0.000877 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 -0.043969 -0.003755 -0.007692 -0.065727 -0.001809 0.009802 -0.002431 -0.024474 0.002771 -0.005406 -0.000245 0.005013 -0.005294 0.000297 0.046780 -0.020195 -0.183659 0.002037 -0.001595 0.002396 0.004909 0.002868 -0.016227 -0.006618 -0.001575 -0.002088 0.002398 0.004530 -0.001216 0.000025 0.114559 0.021378 0.019288 0.323298 0.006057 0.042658 -0.001433 0.033563 -0.000121 0.022580 0.000571 0.000956 -0.001670 -0.000239 -0.041959 -0.013377 -0.204779 -0.001768 -0.001396 0.002285 -0.000338 -0.003898 0.000306 0.002369 -0.000890 -0.002260 -0.003367 0.000327 0.000641 -0.000299 -0.003757 -0.002987 0.011028 0.061338 0.001755 -0.008413 -0.000781 0.008224 0.002009 0.002199 0.000353 -0.000872 -0.003023 0.000461 0.022021 0.025896 0.207446 -0.000072 0.007910 -0.000024 0.002365 -0.002531 -0.014213 -0.004465 0.001388 -0.002513 -0.001613 0.001087 -0.002331 -0.000952 -0.3176 -0.1896 0.9291 0.0575 0.9741 0.2185 0.9465 -0.1228 0.2985 -0.1517 -0.0999 0.2515 -20.351 -13.399 33.75 -7.262 -4.781 12.043 -6.788 -4.47 11.258 1 C 13 -0.5682 0.0075 0.8229 0.5152 0.7829 0.3486 0.6417 -0.622 0.4487 -0.0297 0.0099 0.0198 -3.989 1.335 2.654 -1.423 0.476 0.947 -1.33 0.445 0.885 2 C 13 -0.5825 -0.37 0.7237 -0.3597 0.9158 0.1787 0.7289 0.1562 0.6666 -0.0279 0.011 0.0169 -3.744 1.47 2.274 -1.336 0.524 0.811 -1.249 0.49 0.758 3 C 13 -0.6883 -0.1408 0.7116 0.095 0.955 0.2809 0.7192 -0.2609 0.644 -0.4346 0.2082 0.2264 -58.319 27.933 30.386 -20.81 9.967 10.842 -19.453 9.318 10.136 4 C 13 -0.3995 -0.2286 0.8878 0.0351 0.9639 0.264 0.9161 -0.1366 0.377 -0.0092 0.0012 0.008 -1.237 0.158 1.079 -0.441 0.056 0.385 -0.413 0.053 0.36 5 C 13 0.7943 -0.1702 -0.5832 0.176 0.9833 -0.0473 0.5815 -0.0651 0.8109 -0.0562 0.0205 0.0356 -7.539 2.757 4.782 -2.69 0.984 1.706 -2.515 0.92 1.595 6 C 13 0.5314 0.3542 0.7695 -0.6061 -0.4756 0.6375 -0.5918 0.8052 0.0381 -0.0035 -2.0E-4 0.0036 -1.848 -0.09 1.938 -0.659 -0.032 0.691 -0.616 -0.03 0.646 7 H 1 0.8067 0.3624 -0.4669 -0.0843 0.8525 0.5159 0.5849 -0.3768 0.7182 -0.0533 0.0192 0.0341 -7.151 2.575 4.576 -2.552 0.919 1.633 -2.385 0.859 1.527 8 C 13 -0.4131 0.7601 -0.5016 -0.4923 0.2769 0.8252 0.7661 0.5878 0.2598 -0.0037 1.0E-4 0.0036 -1.996 0.079 1.916 -0.712 0.028 0.684 -0.666 0.027 0.639 9 H 1 0.7764 0.1397 -0.6145 0.0363 0.9636 0.2649 0.6291 -0.228 0.7431 -0.0292 0.0109 0.0183 -3.918 1.466 2.452 -1.398 0.523 0.875 -1.307 0.489 0.818 10 C 13 -0.2277 -0.244 0.9427 0.0852 0.9594 0.2689 0.97 -0.1416 0.1977 -0.0015 2.0E-4 0.0013 -0.791 0.1 0.691 -0.282 0.036 0.247 -0.264 0.033 0.231 11 H 1 -0.4919 0.8648 0.1007 0.7222 0.4699 -0.5076 0.4864 0.1769 0.8557 -0.008 0.0036 0.0045 -4.289 1.9 2.389 -1.53 0.678 0.852 -1.431 0.634 0.797 12 H 1 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0.0077 -4.92 0.803 4.117 -1.756 0.287 1.469 -1.641 0.268 1.373 19 H 1 0.8577 -0.4862 -0.167 0.4621 0.8715 -0.1643 0.2254 0.0637 0.9722 -0.0059 -4.0E-4 0.0064 -3.174 -0.234 3.408 -1.133 -0.084 1.216 -1.059 -0.078 1.137 20 H 1 -0.5108 0.645 -0.5683 -0.5055 0.3094 0.8055 0.6954 0.6987 0.168 -0.0052 -0.0011 0.0062 -2.762 -0.571 3.333 -0.986 -0.204 1.189 -0.921 -0.19 1.112 21 H 1 0.8008 -0.2666 0.5364 -0.0972 0.8258 0.5555 -0.591 -0.497 0.6354 -0.0039 -0.0024 0.0063 -0.521 -0.322 0.843 -0.186 -0.115 0.301 -0.174 -0.108 0.281 22 C 13 0.8093 0.548 0.2116 -0.5125 0.4826 0.7102 -0.2871 0.6832 -0.6715 -0.0253 4.0E-4 0.0249 -13.517 0.23 13.287 -4.823 0.082 4.741 -4.509 0.077 4.432 23 H 1 0.9 0.2646 -0.3465 0.2374 0.3691 0.8986 -0.3656 0.8909 -0.2693 -0.0074 -0.0059 0.0133 -0.996 -0.79 1.786 -0.355 -0.282 0.637 -0.332 -0.263 0.596 24 C 13 0.6825 0.0156 0.7307 0.6161 0.5255 -0.5867 -0.3931 0.8507 0.349 -0.0019 -0.0014 0.0033 -1.01 -0.747 1.757 -0.361 -0.266 0.627 -0.337 -0.249 0.586 25 H 1 0.5163 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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)|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) 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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) GINC-MOLSCI-D140-105 FOO 20-Jun-2026 0 Title Card Required 0 1 Version=ES64L-G16RevC.02 State=1-A HF=-542.7633987 S2=0.277602 S2-1=0. 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