Gaussian 16 20-Jun-2026 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 31 31 48 48 655 (5D, 7F) def2TZVPP 87 C1[X(C13H18)] UwB97XD def2TZVPP Stability #p uwb97xd/def2TZVPP stable=opt guess=(mix,always) Int=UltraFine 156.13909999999998 0 1 AuxInfo=1/0/N:1;2;3;8;11;15;16;18;19;20;21;22;23;4;5;6;7;9;10;12;13;14;17;24;25;26;27;28;29;30;31/rA:31nC0C0C0H0H0H0H0C0H0H0C0H0H0H0C0C0H0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.6212,1.3125,-.6629;2.5028,-.8392,.6249;3.4438,.0029,-.3031;2.567,1.4761,-1.7486;3.0586,2.2085,-.1954;3.7294,-.5538,-1.2098;4.3719,.2492,.2358;1.7179,.2895,1.3053;.8726,-.0681,1.9137;2.3353,.9719,1.9095;1.3238,-1.4714,-.1762;.6639,-2.0506,.4934;1.641,-2.1448,-.9884;3.054,-1.5475,1.265;1.3067,.866,-.0479;.7394,-.1828,-.7573;.6149,-.106,-1.8424;-1.7757,1.2828,.2226;-1.5279,-.167,-.2371;-2.4999,-.5559,-1.3192;-3.1484,-.452,.0345;-3.276,1.0198,.4728;-2.0431,-1.142,.7881;-1.5366,2.0096,-.566;-1.1761,1.539,1.1072;-2.3831,-1.5689,-1.7208;-2.7556,.1916,-2.0778;-3.6023,1.1252,1.5161;-3.9648,1.5933,-.162;-1.8915,-2.2021,.5545;-1.9063,-.9016,1.848; /opt/g16/c02-avx2/g16/g16 /opt/g16/c02-avx2/g16/l1.exe "/fast/scratch/foo/job_746_ABO_I-TS_stableSP/Gau-62824.inp" -scrdir="/fast/scratch/foo/job_746_ABO_I-TS_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 12 12 12 1 1 1 1 12 1 1 12 1 1 1 12 12 1 12 12 12 12 12 12 1 1 1 1 1 1 1 1 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 1.0078250 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 0 0 0 1 1 1 1 0 1 1 0 1 1 1 0 0 1 0 0 0 0 0 0 1 1 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 (Enter /opt/g16/c02-avx2/g16/l101.exe) 0.10000e-02 0.10000e-05 F 738 A 655 A 969 738 807.2034635658 31 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 -0.0253001536 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 0 156.13909999999998 AuxInfo=1/0/N:1;2;3;8;11;15;16;18;19;20;21;22;23;4;5;6;7;9;10;12;13;14;17;24;25;26;27;28;29;30;31/rA:31nC0C0C0H0H0H0H0C0H0H0C0H0H0H0C0C0H0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.6212,1.3125,-.6629;2.5028,-.8392,.6249;3.4439,.0029,-.3031;2.567,1.4761,-1.7486;3.0586,2.2085,-.1954;3.7294,-.5538,-1.2098;4.3719,.2492,.2358;1.7179,.2895,1.3053;.8726,-.0681,1.9137;2.3353,.9719,1.9095;1.3238,-1.4714,-.1762;.6639,-2.0506,.4934;1.641,-2.1448,-.9884;3.054,-1.5475,1.265;1.3067,.866,-.0479;.7394,-.1828,-.7573;.6149,-.106,-1.8424;-1.7757,1.2828,.2226;-1.5279,-.167,-.2371;-2.4999,-.5559,-1.3192;-3.1484,-.4519,.0345;-3.276,1.0198,.4728;-2.0431,-1.142,.7881;-1.5366,2.0096,-.566;-1.1761,1.539,1.1071;-2.3831,-1.5689,-1.7208;-2.7556,.1916,-2.0778;-3.6024,1.1252,1.5161;-3.9648,1.5933,-.162;-1.8915,-2.2021,.5545;-1.9063,-.9016,1.848; 0.000000 2.510428 0.000000 1.587833 1.567150 0.000000 1.099329 3.316368 2.242419 0.000000 1.101195 3.204728 2.241543 1.786180 0.000000 2.238378 2.225349 1.101627 2.400355 3.018133 0.000000 2.236788 2.197580 1.101066 2.949692 2.397802 1.774129 0.000000 2.394993 1.534009 2.376571 3.384557 2.780628 3.329144 2.861636 0.000000 3.406167 2.216593 3.395675 4.320609 3.795991 4.260686 3.893700 1.101169 0.000000 2.610456 2.226699 2.657668 3.699892 2.546123 3.741792 2.733288 1.100788 1.794754 0.000000 3.109688 1.559379 2.585425 3.564501 4.068359 2.774383 3.524364 2.334814 2.557466 3.367935 0.000000 4.059364 2.206022 3.546782 4.591955 4.934476 3.812962 4.370893 2.691962 2.447706 3.732893 1.104240 0.000000 3.608238 2.247204 2.886587 3.813920 4.646411 2.634676 3.832413 3.345582 3.650345 4.311962 1.101644 1.777431 0.000000 3.476127 1.102333 2.239358 4.296611 4.029893 2.751069 2.454389 2.271883 2.714415 2.697960 2.253139 2.561493 2.726002 0.000000 1.518364 2.188926 2.318983 2.202963 2.212054 3.039004 3.139509 1.527298 2.215552 2.213712 2.341035 3.035303 3.171951 3.256066 0.000000 2.405382 2.334727 2.748587 2.659851 3.378248 3.046688 3.790469 2.331276 2.676701 3.315358 1.529571 2.249124 2.171539 3.362923 1.387467 0.000000 2.725509 3.192117 3.222443 2.514427 3.747103 3.209447 4.308126 3.358756 3.765087 4.265909 2.267845 3.039751 2.437009 4.205141 2.154896 1.094965 0.000000 4.485304 4.792812 5.399887 4.773144 4.939906 5.977581 6.233928 3.790039 3.420226 4.454534 4.165559 4.139657 4.988889 5.694162 3.122208 3.071527 3.450854 0.000000 4.425506 4.176337 4.975103 4.664003 5.165342 5.360494 5.933326 3.622541 3.224555 4.563900 3.136454 2.980862 3.810256 5.015566 3.022879 2.326286 2.678162 1.541000 0.000000 5.490596 5.374641 6.055772 5.476004 6.308817 6.230191 7.091335 5.039099 4.697090 6.011428 4.094480 3.940673 4.447550 6.205381 4.257671 3.308753 3.190302 2.506477 1.505631 0.000000 6.073516 5.695184 6.616553 6.289901 6.757046 6.990180 7.555583 5.083889 4.454988 5.967749 4.591760 4.159320 5.181743 6.417501 4.646671 3.976742 4.219611 2.220107 1.667619 1.504634 0.000000 6.012604 6.072371 6.840465 6.267617 6.479657 7.374424 7.690216 5.115196 4.524382 5.792479 5.271166 4.995051 6.027127 6.876570 4.614670 4.368357 4.665442 1.543473 2.228934 2.509272 1.540939 0.000000 5.466758 4.558957 5.710388 5.877297 6.182275 6.136737 6.587314 4.057371 3.304766 4.989654 3.517758 2.870616 4.211222 5.135434 3.994015 3.324264 3.880490 2.504138 1.505659 2.234464 1.505230 2.508536 0.000000 4.216957 5.084445 5.375990 4.303860 4.614442 5.892072 6.217123 4.129483 4.033593 4.711354 4.522347 4.738174 5.247370 6.089306 3.108153 3.166036 3.276292 1.098850 2.201374 2.842022 3.002963 2.254769 3.467394 0.000000 4.195670 4.407159 5.068774 4.708546 4.480825 5.814806 5.762207 3.158441 2.725832 3.646297 4.118133 4.080135 5.088950 5.238801 2.819787 3.179599 3.822763 1.098877 2.200240 3.468137 3.000707 2.254165 2.835658 1.775097 0.000000 5.870633 5.468723 6.199483 5.811743 6.797604 6.217206 7.263837 5.424888 5.105000 6.472836 4.016964 3.797179 4.130534 6.203010 4.726715 3.549599 3.338124 3.504004 2.213160 1.095952 2.216839 3.508642 2.567564 3.854355 4.371838 0.000000 5.671687 6.001522 6.451216 5.485301 6.435523 6.585121 7.493797 5.609568 5.400242 6.513390 4.798217 4.830253 5.096628 6.924605 4.590999 3.754870 3.391802 2.728137 2.241432 1.095272 2.242800 2.731663 3.240271 2.660173 3.801828 1.834584 0.000000 6.596618 6.475057 7.363295 6.988766 6.962134 8.000250 8.123723 5.389614 4.648310 5.952661 5.820063 5.415937 6.667672 7.177267 5.158663 5.072481 5.529994 2.243750 3.007780 3.475714 2.211008 1.098294 2.846239 3.063466 2.495018 4.384326 3.808502 0.000000 6.610974 6.954635 7.578762 6.722793 7.050395 8.056581 8.453724 6.012183 5.519872 6.661004 6.112443 5.927273 6.788317 7.820792 5.322641 5.063462 5.165763 2.244196 3.007126 2.846785 2.210907 1.098334 3.475243 2.496526 3.064415 3.864088 2.664017 1.779542 0.000000 5.847989 4.601400 5.836435 6.221904 6.672302 6.117542 6.733555 4.449759 3.747249 5.456792 3.377294 2.560624 3.855189 5.039018 4.472693 3.566538 4.052324 3.502603 2.213713 2.567262 2.216604 3.507776 1.096137 4.372697 3.848785 2.412344 3.661343 3.862980 4.383743 0.000000 5.630644 4.576020 5.836878 6.212813 6.204658 6.421194 6.583191 3.853301 2.901887 4.637304 3.854284 3.124260 4.708906 5.036004 4.128167 3.782018 4.539665 2.725842 2.242832 3.240845 2.243643 2.731149 1.095412 3.799894 2.652955 3.661833 4.162717 2.663544 3.808178 1.834379 0.000000 C13H18 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 0 156.13909999999998 AuxInfo=1/0/N:1;2;3;8;11;15;16;18;19;20;21;22;23;4;5;6;7;9;10;12;13;14;17;24;25;26;27;28;29;30;31/rA:31nC0C0C0H0H0H0H0C0H0H0C0H0H0H0C0C0H0C0C0C0C0C0C0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.6212,-1.3125,.6629;2.5028,.8392,-.6249;3.4439,-.0029,.3031;2.567,-1.4761,1.7486;3.0586,-2.2085,.1954;3.7294,.5538,1.2098;4.3719,-.2492,-.2358;1.7179,-.2895,-1.3053;.8726,.0681,-1.9137;2.3353,-.9719,-1.9095;1.3238,1.4714,.1762;.6639,2.0506,-.4934;1.641,2.1448,.9884;3.054,1.5475,-1.265;1.3067,-.866,.0479;.7394,.1828,.7573;.6149,.106,1.8424;-1.7757,-1.2828,-.2226;-1.5279,.167,.2371;-2.4999,.5559,1.3192;-3.1484,.4519,-.0345;-3.276,-1.0198,-.4728;-2.0431,1.142,-.7881;-1.5366,-2.0096,.566;-1.1761,-1.539,-1.1071;-2.3831,1.5689,1.7208;-2.7556,-.1916,2.0778;-3.6024,-1.1252,-1.5161;-3.9648,-1.5933,.162;-1.8915,2.2021,-.5545;-1.9063,.9016,-1.848; 1.9254437 0.4820960 0.4585791 -10.31334 -10.30576 -10.30408 -10.30366 -10.28964 -10.28786 -10.28586 -10.28448 -10.28367 -10.28169 -10.27996 -10.26942 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4.28111 4.29351 4.29764 4.32157 4.32969 4.33821 4.35100 4.35545 4.37281 4.37285 4.37587 4.38953 4.40518 4.41424 4.42168 4.42681 4.44044 4.44951 4.45380 4.46936 4.47998 4.48563 4.48779 4.50351 4.51675 4.51886 4.54110 4.54653 4.55532 4.55806 4.57223 4.59097 4.60233 4.61318 4.62141 4.64379 4.64765 4.65456 4.67338 4.68045 4.69674 4.71251 4.72578 4.74031 4.75233 4.75964 4.77782 4.78323 4.79892 4.80754 4.84032 4.85095 4.85611 4.87154 4.87600 4.89235 4.90257 4.90739 4.92770 4.93802 4.94662 4.95512 4.96842 4.98147 4.98673 5.00052 5.01553 5.02099 5.03510 5.04184 5.04961 5.05614 5.07417 5.07766 5.08222 5.09674 5.10259 5.11284 5.11689 5.12663 5.14070 5.14861 5.15661 5.16442 5.17469 5.18148 5.19420 5.19773 5.21375 5.22472 5.23485 5.24913 5.28021 5.29246 5.29611 5.31991 5.34812 5.36109 5.37951 5.39813 5.40958 5.41382 5.42667 5.43730 5.45509 5.47887 5.50154 5.53029 5.54109 5.54210 5.56454 5.58794 5.59397 5.61208 5.62064 5.62620 5.63322 5.65816 5.66187 5.67161 5.68520 5.69167 5.71603 5.72369 5.72838 5.74588 5.76944 5.77770 5.78720 5.85527 5.86574 5.88917 5.91945 5.92878 5.95980 22.83728 22.89586 22.99522 23.32116 23.36366 23.45627 23.48285 23.52362 23.57098 23.60364 23.64297 23.66226 23.67944 -10.31224 -10.30820 -10.30415 -10.30374 -10.28952 -10.28770 -10.28604 -10.28588 -10.28479 -10.28306 -10.27953 -10.26868 -10.26424 -1.04553 -0.97821 -0.84652 -0.83444 -0.80702 -0.78987 -0.77983 -0.74690 -0.69014 -0.65928 -0.63624 -0.60494 -0.58702 -0.57871 -0.56302 -0.55832 -0.53913 -0.53348 -0.48705 -0.48193 -0.47615 -0.46826 -0.46551 -0.45232 -0.44564 -0.44045 -0.41827 -0.41388 -0.40541 -0.40020 -0.39345 -0.38674 -0.37764 -0.31325 -0.23836 0.02122 0.10370 0.11059 0.12352 0.13373 0.13765 0.14644 0.15002 0.15535 0.16091 0.16589 0.17242 0.17768 0.18352 0.18503 0.18762 0.19927 0.20838 0.21696 0.22455 0.23131 0.23872 0.24415 0.25135 0.25221 0.25943 0.26892 0.27474 0.27855 0.28399 0.28679 0.29435 0.30264 0.30880 0.31004 0.31543 0.32292 0.33026 0.33337 0.34031 0.35007 0.35501 0.36226 0.39568 0.39824 0.39904 0.41246 0.42604 0.42955 0.43745 0.44891 0.45120 0.45676 0.46653 0.46889 0.47127 0.47912 0.48176 0.48696 0.49435 0.50103 0.50401 0.50607 0.50797 0.51173 0.51787 0.51851 0.52406 0.52534 0.53203 0.53544 0.54029 0.54359 0.54488 0.55068 0.55362 0.55540 0.56442 0.57191 0.57777 0.58054 0.58549 0.59249 0.59886 0.60526 0.61402 0.61426 0.62025 0.63660 0.65416 0.66289 0.67138 0.68861 0.71187 0.72094 0.72746 0.74203 0.74716 0.76505 0.77773 0.78453 0.79580 0.80565 0.81080 0.82863 0.84725 0.85708 0.87189 0.87602 0.88492 0.90102 0.91822 0.92534 0.93420 0.94468 0.95345 0.95921 0.96441 0.97678 0.98968 0.99852 1.00479 1.01557 1.02358 1.02771 1.03827 1.04144 1.04847 1.06408 1.06447 1.07084 1.07793 1.08817 1.09875 1.10528 1.11370 1.11925 1.12196 1.12886 1.14210 1.14936 1.15751 1.16838 1.17128 1.17410 1.17752 1.19020 1.19446 1.19787 1.20826 1.21039 1.22043 1.22704 1.23248 1.23933 1.24604 1.25363 1.25894 1.27135 1.27748 1.28316 1.29545 1.31481 1.31591 1.32684 1.33256 1.33447 1.34845 1.35466 1.35756 1.37018 1.37233 1.38396 1.39718 1.39887 1.40423 1.40691 1.41217 1.42784 1.43297 1.43960 1.44550 1.45873 1.46394 1.46839 1.47539 1.48998 1.49881 1.50640 1.51091 1.51674 1.52374 1.53528 1.54834 1.55287 1.55401 1.56059 1.57030 1.57504 1.58351 1.59279 1.59780 1.61526 1.62012 1.62910 1.64390 1.65631 1.66972 1.67113 1.69386 1.70256 1.71272 1.72518 1.73513 1.74221 1.74710 1.75682 1.76814 1.79016 1.79212 1.80745 1.81765 1.83132 1.84106 1.87166 1.87520 1.88784 1.89515 1.90986 1.91785 1.92163 1.93543 1.96209 1.96542 2.00688 2.03417 2.04780 2.06188 2.07820 2.08104 2.11448 2.14111 2.15086 2.16341 2.20412 2.21298 2.24438 2.25300 2.26191 2.27860 2.28978 2.31065 2.32623 2.35017 2.40457 2.41670 2.42928 2.43962 2.45458 2.47039 2.48189 2.50506 2.50728 2.51475 2.52042 2.53176 2.54712 2.56244 2.57339 2.58111 2.58411 2.61053 2.62390 2.63196 2.63753 2.64440 2.65469 2.67412 2.68014 2.69485 2.69924 2.70860 2.73375 2.73823 2.74914 2.76009 2.77004 2.77950 2.79438 2.80858 2.81654 2.81904 2.83784 2.84889 2.85258 2.86202 2.87420 2.89156 2.90573 2.91091 2.93062 2.93300 2.94382 2.95115 2.95986 2.97056 2.97623 2.98376 2.98530 3.00693 3.00848 3.01554 3.01826 3.02286 3.05020 3.05806 3.06079 3.07543 3.08257 3.09069 3.09478 3.11325 3.12231 3.13676 3.14637 3.15096 3.15920 3.16420 3.17664 3.19307 3.20418 3.21017 3.21515 3.22425 3.23329 3.23966 3.24580 3.26189 3.26907 3.27502 3.28306 3.29415 3.30766 3.31816 3.33016 3.33059 3.33426 3.34630 3.35353 3.36267 3.37044 3.37652 3.38158 3.38370 3.39875 3.40277 3.41106 3.42748 3.44216 3.44855 3.45465 3.45684 3.46392 3.47156 3.47544 3.48154 3.49133 3.50266 3.50479 3.51075 3.51662 3.52709 3.53780 3.54548 3.55164 3.57119 3.58037 3.58770 3.60195 3.61609 3.62366 3.62693 3.64046 3.65263 3.65628 3.66626 3.68291 3.68435 3.69231 3.70704 3.70905 3.71187 3.71948 3.72937 3.73518 3.74878 3.75273 3.76453 3.76940 3.78315 3.78357 3.79033 3.79641 3.81233 3.82332 3.83305 3.84269 3.85941 3.86788 3.88018 3.88424 3.89262 3.89496 3.90076 3.90947 3.91709 3.92584 3.93332 3.95021 3.95976 3.96843 3.97312 3.97951 3.98824 4.00521 4.00872 4.02283 4.03688 4.04552 4.05395 4.05839 4.07243 4.07311 4.09570 4.10404 4.10865 4.11716 4.12731 4.13464 4.14309 4.14772 4.15670 4.16357 4.16690 4.17363 4.17751 4.18769 4.19549 4.19622 4.19996 4.20954 4.21355 4.22265 4.22430 4.24292 4.25305 4.25605 4.26160 4.26665 4.28162 4.29407 4.29810 4.32192 4.32970 4.33734 4.35130 4.35605 4.37192 4.37277 4.37542 4.39016 4.40481 4.41399 4.42103 4.42704 4.44109 4.44956 4.45468 4.46944 4.48028 4.48618 4.48896 4.50354 4.51695 4.51859 4.54155 4.54690 4.55537 4.55806 4.57186 4.59089 4.60258 4.61391 4.62189 4.64376 4.64833 4.65450 4.67416 4.68074 4.69691 4.71283 4.72573 4.73994 4.75262 4.75961 4.77814 4.78304 4.79896 4.80785 4.83969 4.85143 4.85648 4.87099 4.87567 4.89233 4.90284 4.90725 4.92762 4.93770 4.94630 4.95487 4.96825 4.98215 4.98658 5.00059 5.01530 5.02097 5.03477 5.04160 5.04971 5.05568 5.07388 5.07753 5.08235 5.09658 5.10229 5.11207 5.11692 5.12731 5.14029 5.14851 5.15687 5.16392 5.17412 5.18147 5.19402 5.19759 5.21362 5.22488 5.23512 5.24942 5.28028 5.29159 5.29547 5.31946 5.34797 5.36126 5.37944 5.39797 5.40957 5.41416 5.42648 5.43740 5.45501 5.47858 5.50128 5.52964 5.54129 5.54228 5.56468 5.58729 5.59386 5.61190 5.62065 5.62611 5.63350 5.65804 5.66173 5.67121 5.68524 5.69210 5.71585 5.72363 5.72824 5.74606 5.76875 5.77744 5.78715 5.85513 5.86552 5.88939 5.91942 5.92852 5.96000 22.83383 22.90179 22.99580 23.31755 23.36385 23.45690 23.48298 23.52367 23.57090 23.60358 23.64295 23.66228 23.67935 1-A. 0.2220 0.3428 0.2166 0.4623 -84.1620 -81.0847 -77.1360 2.7803 -0.5112 0.2125 -3.3678 -0.2904 3.6582 2.7803 -0.5112 0.2125 28.5141 6.0867 2.7797 -1.0485 -15.1324 1.3850 -4.5177 -0.1397 1.3900 1.8930 -2908.8155 -575.1166 -405.1657 56.8877 -19.8531 0.4110 2.3099 4.5785 0.3053 -558.8134 -512.8260 -160.7176 4.2057 -6.5898 3.3745 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= 734 734 734 734 734 MxSgAt= 31 MxSgA2= 31. 1 open 1 0 1 -505.788628310334 -505.878912768953 -0.090284458619 -505.962947576145 -0.084034807192 -505.990855316156 -0.027907740012 -505.993788162555 -0.002932846398 -505.995900669826 -0.002112507271 -505.996654851005 -0.000754181180 -505.997175549861 -0.000520698855 -505.997508545762 -0.000332995901 -505.997748181964 -0.000239636202 -505.997894785672 -0.000146603708 -505.997950769663 -0.000055983991 -505.997971891002 -0.000021121340 -505.997986162077 -0.000014271074 -505.997993589517 -0.000007427440 -505.997801556395 0.000192033121 -505.997813631464 -0.000012075069 -505.997813717553 -0.000000086089 -505.997813740397 -0.000000022844 -505.997813757413 -0.000000017016 -505.997813768063 -0.000000010650 -505.997813783975 -0.000000015913 -505.997813789355 -0.000000005380 -505.997813792514 -0.000000003159 -505.997813795699 -0.000000003185 -505.997813799179 -0.000000003480 -505.997813803641 -0.000000004462 -505.997813805846 -0.000000002205 -505.997813806058 -0.000000000211 -505.997813806089 -0.000000000031 -505.997813806 30 0.1964 5.029476625065e+02 -2.786456058812e+03 9.703324190873e+02 Using DIIS extrapolation, IDIIS= 1040. NGot= 64424509440 LenX= 64423365746 LenY= 64422820364 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. 0.1964 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 C C C H H H H C H H C H H H C C H C C C C C C H H H H H H H H 13 13 13 1 1 1 1 13 1 1 13 1 1 1 13 13 1 13 13 13 13 13 13 1 1 1 1 1 1 1 1 -0.01571 0.01400 0.01992 0.00027 -0.00045 -0.00020 0.00090 0.00065 0.00100 0.00048 0.02561 -0.00618 -0.00152 -0.00022 0.10778 -0.05516 0.00354 -0.01125 -0.01530 0.00152 -0.02903 0.00324 0.00089 0.00011 0.00020 -0.00056 0.00011 -0.00023 -0.00021 -0.00084 0.00010 -8.83034 7.87063 11.19625 0.61086 -1.01028 -0.45260 2.00775 0.36700 2.22928 1.06732 14.39485 -13.82242 -3.39329 -0.48678 60.58049 -31.00404 7.90227 -6.32584 -8.60012 0.85685 -16.31939 1.82160 0.49925 0.23920 0.44559 -1.26108 0.25680 -0.52174 -0.47410 -1.86941 0.21242 -3.15088 2.80844 3.99510 0.21797 -0.36049 -0.16150 0.71642 0.13095 0.79546 0.38085 5.13644 -4.93218 -1.21081 -0.17369 21.61663 -11.06301 2.81973 -2.25722 -3.06874 0.30575 -5.82316 0.64999 0.17814 0.08535 0.15900 -0.44999 0.09163 -0.18617 -0.16917 -0.66705 0.07580 -2.94548 2.62536 3.73467 0.20376 -0.33699 -0.15097 0.66971 0.12242 0.74361 0.35602 4.80161 -4.61066 -1.13188 -0.16237 20.20748 -10.34183 2.63591 -2.11007 -2.86869 0.28581 -5.44356 0.60762 0.16653 0.07979 0.14863 -0.42065 0.08566 -0.17404 -0.15814 -0.62357 0.07085 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 0.002037 -0.009385 0.003324 0.000222 0.004648 -0.002413 0.001923 -0.003859 -0.002508 -0.000390 -0.011254 0.001612 -0.000988 -0.001032 0.069124 -0.335931 -0.000844 -0.003678 0.108649 -0.010965 -0.153651 0.008011 -0.008740 0.002819 0.003965 -0.000582 0.000767 0.002004 0.001875 -0.001239 -0.000252 -0.004237 0.013920 0.009314 -0.002762 -0.001113 0.000859 -0.000456 -0.001048 0.001130 -0.003351 0.017579 -0.000142 -0.001144 0.001228 0.141650 0.195430 0.021727 0.000274 -0.058116 0.006804 0.042218 -0.007872 0.003892 -0.002072 -0.002820 0.001117 0.000799 -0.001775 -0.003639 0.000138 0.001710 0.002200 -0.004535 -0.012639 0.002540 -0.003535 0.001554 -0.001467 0.004907 0.001378 0.003740 -0.006324 -0.001470 0.002132 -0.000196 -0.210774 0.140501 -0.020883 0.003404 -0.050533 0.004160 0.111433 -0.000140 0.004848 -0.000748 -0.001145 -0.000535 -0.001566 -0.000229 0.001764 0.001102 -0.001458 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 0.008262 0.012788 0.021923 0.001827 -0.003781 0.002054 0.000526 0.002820 -0.000316 0.001336 0.007715 -0.001527 -0.001307 0.001241 0.332763 0.013836 -0.001543 0.005618 0.015982 0.005472 0.137783 0.000532 0.004598 0.001244 0.000733 -0.002276 0.000118 -0.000412 -0.001141 -0.003546 -0.000541 0.006101 0.008962 -0.000816 0.003281 0.000667 0.001041 -0.001028 -0.000747 0.002023 -0.003592 -0.003808 0.001406 0.000448 0.000279 0.039182 -0.160543 0.001138 -0.001228 0.040072 -0.003927 -0.024889 0.001561 -0.000494 -0.001613 0.002658 -0.001821 -0.001070 0.000044 -0.000315 -0.000633 0.002048 0.001719 0.003821 -0.005554 -0.000532 -0.001901 0.001624 0.000652 -0.007225 -0.004872 -0.000659 -0.007916 0.001689 0.001128 -0.000434 0.034115 0.020395 0.007898 0.000915 0.004187 0.000803 0.012590 -0.002033 0.002265 -0.000281 -0.000242 -0.001536 0.001860 -0.002859 0.000352 0.000260 -0.000224 -0.6084 0.7705 0.1905 -0.3365 -0.4678 0.8173 0.7188 0.4331 0.5439 -0.0103 -0.0013 0.0116 -1.387 -0.174 1.561 -0.495 -0.062 0.557 -0.463 -0.058 0.521 1 C 13 0.8417 -0.2772 -0.4634 0.3218 -0.4317 0.8427 0.4336 0.8584 0.2742 -0.0185 -0.0031 0.0216 -2.486 -0.412 2.898 -0.887 -0.147 1.034 -0.829 -0.137 0.967 2 C 13 0.5938 -0.5921 -0.5448 0.4777 -0.2855 0.8309 0.6475 0.7536 -0.1133 -0.0178 -0.0112 0.029 -2.387 -1.503 3.889 -0.852 -0.536 1.388 -0.796 -0.501 1.297 3 C 13 -0.5483 0.771 0.3238 0.5895 0.631 -0.5043 0.5931 0.0857 0.8005 -0.0043 -6.0E-4 0.0049 -2.286 -0.336 2.622 -0.816 -0.12 0.936 -0.763 -0.112 0.875 4 H 1 0.1803 0.5898 0.7872 0.4439 0.6654 -0.6002 0.8777 -0.4577 0.1418 -0.0048 -0.0019 0.0067 -2.564 -1.025 3.589 -0.915 -0.366 1.281 -0.855 -0.342 1.197 5 H 1 0.9079 -0.4156 -0.0543 -0.2473 -0.6357 0.7313 0.3385 0.6505 0.6799 -0.0034 -2.0E-4 0.0036 -1.822 -0.112 1.934 -0.65 -0.04 0.69 -0.608 -0.037 0.645 6 H 1 0.2747 -0.4256 0.8622 -0.007 0.8958 0.4444 0.9615 0.1281 -0.2431 -0.0021 -1.0E-4 0.0023 -1.129 -0.073 1.202 -0.403 -0.026 0.429 -0.377 -0.024 0.401 7 H 1 -0.541 0.7355 0.4079 0.8261 0.3739 0.4216 -0.1576 -0.5651 0.8099 -0.0071 -0.003 0.0101 -0.957 -0.398 1.354 -0.341 -0.142 0.483 -0.319 -0.133 0.452 8 C 13 -0.5734 0.5199 0.6332 0.7978 0.5299 0.2875 0.1861 -0.67 0.7187 -0.0045 -0.002 0.0064 -2.377 -1.061 3.438 -0.848 -0.379 1.227 -0.793 -0.354 1.147 9 H 1 -0.4712 0.87 -0.1453 0.7214 0.4748 0.5041 -0.5076 -0.1327 0.8513 -0.004 -0.002 0.006 -2.115 -1.078 3.193 -0.755 -0.385 1.139 -0.706 -0.359 1.065 10 H 1 0.9359 -0.1498 0.3188 -0.2512 0.3504 0.9023 0.2468 0.9245 -0.2903 -0.0138 -0.0083 0.0221 -1.85 -1.119 2.969 -0.66 -0.399 1.059 -0.617 -0.373 0.99 11 C 13 -0.3745 -0.5543 0.7433 0.2399 0.7164 0.6551 0.8957 -0.4237 0.1353 -0.0034 9.0E-4 0.0025 -1.834 0.476 1.359 -0.655 0.17 0.485 -0.612 0.159 0.453 12 H 1 0.64 0.7322 -0.2329 0.7682 -0.615 0.1776 0.0132 0.2926 0.9561 -0.0026 2.0E-4 0.0025 -1.411 0.086 1.325 -0.504 0.031 0.473 -0.471 0.029 0.442 13 H 1 0.8692 -0.4089 -0.2781 0.3124 0.0182 0.9498 0.3833 0.9124 -0.1436 -0.0017 -1.0E-4 0.0018 -0.91 -0.06 0.97 -0.325 -0.021 0.346 -0.303 -0.02 0.323 14 H 1 0.7147 -0.6048 -0.3514 0.2131 -0.2902 0.9329 0.6662 0.7416 0.0785 -0.2317 -0.2124 0.4442 -31.098 -28.507 59.605 -11.097 -10.172 21.268 -10.373 -9.509 19.882 15 C 13 0.9556 -0.033 0.2929 -0.2475 -0.6296 0.7364 -0.1601 0.7762 0.6098 -0.3856 0.177 0.2086 -51.746 23.754 27.992 -18.464 8.476 9.988 -17.26 7.923 9.337 16 C 13 -0.0646 -0.178 0.9819 0.9964 0.0425 0.0733 -0.0548 0.9831 0.1747 -0.0224 -8.0E-4 0.0232 -11.946 -0.441 12.387 -4.263 -0.157 4.42 -3.985 -0.147 4.132 17 H 1 0.8084 -0.5731 0.1346 -0.1422 0.0318 0.9893 0.5712 0.8189 0.0558 -0.0079 0.0036 0.0043 -1.055 0.484 0.571 -0.377 0.173 0.204 -0.352 0.162 0.19 18 C 13 -0.1518 -0.5134 0.8446 -0.1964 0.8532 0.4833 0.9687 0.0925 0.2303 -0.0603 -0.0594 0.1197 -8.089 -7.974 16.063 -2.886 -2.845 5.732 -2.698 -2.66 5.358 19 C 13 0.939 -0.2628 0.2217 -0.1889 0.1443 0.9713 0.2873 0.954 -0.0859 -0.0134 0.005 0.0084 -1.801 0.677 1.125 -0.643 0.241 0.401 -0.601 0.226 0.375 20 C 13 0.8857 -0.457 0.0821 0.3891 0.8269 0.4059 -0.2534 -0.3276 0.9102 -0.2271 0.1132 0.1138 -30.469 15.194 15.275 -10.872 5.422 5.451 -10.163 5.068 5.095 21 C 13 -0.0549 0.9673 0.2478 -0.1713 -0.2536 0.952 0.9837 0.0098 0.1796 -0.0084 1.0E-4 0.0083 -1.13 0.016 1.114 -0.403 0.006 0.397 -0.377 0.005 0.372 22 C 13 0.9449 -0.318 0.0782 -0.2679 -0.6133 0.7431 0.1883 0.723 0.6646 -0.0103 0.0032 0.0072 -1.386 0.424 0.962 -0.495 0.151 0.343 -0.462 0.141 0.321 23 C 13 -0.2579 0.962 -0.0892 0.3118 0.1703 0.9347 0.9145 0.2133 -0.3439 -0.0024 -0.0013 0.0037 -1.269 -0.713 1.983 -0.453 -0.255 0.707 -0.423 -0.238 0.661 24 H 1 -0.252 0.8634 0.437 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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)|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) 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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) GINC-MOLSCI-D140-105 FOO 20-Jun-2026 0 Title Card Required 0 1 Version=ES64L-G16RevC.02 State=1-A HF=-505.9978138 S2=0.196434 S2-1=0. 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