Gaussian 16 20-Jun-2026 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 33 33 49 49 683 (5D, 7F) def2TZVPP 93 C1[X(C13H20)] 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;32;33/rA:33nC0C0C0H0H0H0H0C0H0H0C0H0H0H0C0C0H0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.6507,-1.1589,.9059;-2.6683,.936,-.4351;-3.5407,-.3095,-.0882;-2.5404,-2.2017,.5752;-3.0774,-1.1624,1.9212;-3.8098,-.8841,-.9886;-4.4802,.009,.3889;-1.868,1.0931,.8685;-1.0821,1.8582,.8075;-2.4914,1.2932,1.7535;-1.5031,.5417,-1.384;-.8927,1.4282,-1.6352;-1.837,.098,-2.3352;-3.2622,1.7985,-.7776;-1.3716,-.3496,.786;-.7948,-.5065,-.507;-.7906,-1.5252,-.9113;3.0328,-1.0052,-.3845;1.7436,-1.5639,.0252;1.2946,-.2783,-.6007;1.5133,1.0041,.1847;3.0036,1.3493,.2522;3.7305,.012,.473;3.4953,-1.3535,-1.3108;1.5199,-1.608,1.1023;1.4104,-2.47,-.4943;1.245,-.2242,-1.691;1.1133,.8504,1.2027;.9358,1.8267,-.2617;3.2279,2.0964,1.0319;3.3254,1.774,-.7131;3.6644,-.2734,1.5388;4.7989,.0836,.2211; /opt/g16/c02-avx2/g16/g16 /opt/g16/c02-avx2/g16/l1.exe "/fast/scratch/foo/job_743_ABO_F-TS_stableSP/Gau-58998.inp" -scrdir="/fast/scratch/foo/job_743_ABO_F-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 32 33 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 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 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 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 -0.0000000 (Enter /opt/g16/c02-avx2/g16/l101.exe) 0.10000e-02 0.10000e-05 F 768 A 683 A 1003 768 825.8003064409 33 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 -0.0285181219 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 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;32;33/rA:33nC0C0C0H0H0H0H0C0H0H0C0H0H0H0C0C0H0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.6507,-1.1589,.9059;-2.6683,.936,-.4351;-3.5407,-.3095,-.0882;-2.5404,-2.2017,.5752;-3.0774,-1.1624,1.9212;-3.8098,-.8841,-.9886;-4.4802,.009,.3889;-1.868,1.0931,.8685;-1.0821,1.8582,.8075;-2.4914,1.2932,1.7535;-1.5031,.5417,-1.384;-.8927,1.4282,-1.6352;-1.837,.098,-2.3352;-3.2622,1.7985,-.7776;-1.3716,-.3496,.786;-.7948,-.5065,-.507;-.7906,-1.5252,-.9113;3.0328,-1.0052,-.3845;1.7436,-1.5639,.0252;1.2946,-.2783,-.6007;1.5133,1.0041,.1847;3.0035,1.3493,.2522;3.7305,.012,.473;3.4953,-1.3535,-1.3108;1.5199,-1.608,1.1023;1.4104,-2.47,-.4943;1.245,-.2242,-1.691;1.1133,.8504,1.2027;.9358,1.8267,-.2617;3.2279,2.0964,1.0319;3.3254,1.774,-.7131;3.6644,-.2734,1.5388;4.7989,.0836,.2211; 0.000000 2.487446 0.000000 1.581708 1.559731 0.000000 1.099533 3.298843 2.240778 0.000000 1.101328 3.181676 2.231558 1.783351 0.000000 2.237901 2.218626 1.101498 2.406850 3.013453 0.000000 2.231246 2.195794 1.100830 2.947019 2.384980 1.773296 0.000000 2.384519 1.537707 2.383413 3.375555 2.767405 3.336028 2.868656 0.000000 3.401953 2.215949 3.397923 4.320127 3.787588 4.264576 3.891283 1.098477 0.000000 2.599402 2.224606 2.657380 3.688571 2.530180 3.741408 2.732552 1.100851 1.788931 0.000000 3.074546 1.553484 2.560299 3.527148 4.038178 2.740427 3.505683 2.347549 2.590950 3.374208 0.000000 4.030022 2.198892 3.524857 4.558176 4.912471 3.778148 4.356769 2.707765 2.487461 3.749307 1.105260 0.000000 3.570251 2.236854 2.849092 3.775404 4.609142 2.582552 3.796694 3.354854 3.680320 4.309778 1.101432 1.775184 0.000000 3.457562 1.101850 2.235324 4.284059 4.010603 2.746092 2.458979 2.269600 2.696119 2.693660 2.245378 2.547057 2.710955 0.000000 1.518399 2.196599 2.338936 2.200230 2.204347 3.062635 3.154301 1.527928 2.226743 2.211026 2.349612 3.041711 3.187304 3.260909 0.000000 2.422025 2.365492 2.784546 2.663061 3.396542 3.076450 3.827563 2.366930 2.720639 3.350660 1.539351 2.241725 2.189513 3.387379 1.424475 0.000000 2.626076 3.132039 3.117363 2.393519 3.658424 3.087431 4.202042 3.344269 3.806106 4.235239 2.236801 3.042514 2.399406 4.144140 2.144899 1.096045 0.000000 5.830218 6.022721 6.616844 5.780440 6.532690 6.870316 7.620536 5.476403 5.152874 6.353797 4.895631 4.784893 5.360788 6.902413 4.604255 3.861972 3.894481 0.000000 4.499927 5.091714 5.432266 4.365969 5.195941 5.685945 6.429756 4.562260 4.506289 5.393038 4.118351 4.319639 4.599387 6.083462 3.428970 2.800882 2.702026 1.463618 0.000000 4.314042 4.148055 4.862461 4.448524 5.124096 5.154839 5.866047 3.747221 3.492344 4.727162 3.018864 2.960842 3.599623 5.010947 3.006151 2.103957 2.449365 1.896439 1.498660 0.000000 4.747438 4.227820 5.229050 5.182898 5.365109 5.768675 6.079030 3.450932 2.802424 4.310772 3.431286 3.046409 4.289028 4.935904 3.242989 2.843908 3.592596 2.582619 2.583174 1.519639 0.000000 6.220080 5.728219 6.759759 6.591627 6.787687 7.276635 7.604070 4.917044 4.154469 5.696623 4.862063 4.329996 5.629533 6.365701 4.723697 4.295116 4.900252 2.439239 3.182092 2.509427 1.531166 0.000000 6.502189 6.528609 7.299888 6.650947 7.058638 7.732758 8.211162 5.715643 5.165405 6.480236 5.578569 5.274849 6.236274 7.324911 5.124499 4.659181 4.971929 1.502201 2.575195 2.677836 2.446080 1.538113 0.000000 6.536404 6.633085 7.217269 6.380073 7.326821 7.327218 8.267627 6.284905 5.979488 7.227396 5.346184 5.205512 5.620499 7.475550 5.393620 4.446197 4.307910 1.092342 2.213043 2.550118 3.423851 3.160710 2.258713 0.000000 4.199309 5.135763 5.358415 4.137189 4.690883 5.770748 6.254992 4.339178 4.344123 4.993147 4.465624 4.746857 5.098608 6.164988 3.169316 3.026732 3.065958 2.205187 1.100922 2.172322 2.768567 3.416077 2.811947 3.128850 0.000000 4.491309 5.314096 5.417137 4.101733 5.261613 5.478099 6.451702 5.030004 5.161412 5.868415 4.283785 4.669225 4.530929 6.335147 3.724919 2.952734 2.431268 2.188651 1.096380 2.197303 3.541317 4.205091 3.532554 2.501986 1.817747 0.000000 4.774341 4.270484 5.047672 4.834819 5.710661 5.145882 6.095786 4.239949 3.999248 5.303562 2.869389 2.702453 3.165129 5.024063 3.605282 2.375417 2.538597 2.348001 2.233535 1.092707 2.258009 3.056812 3.303959 2.546286 3.129340 2.550121 0.000000 4.277066 4.121893 4.967026 4.801951 4.704226 5.661042 5.714694 3.009765 2.447755 3.673316 3.692202 3.523010 4.667724 4.895495 2.790767 2.899172 3.706434 3.105969 2.759061 2.135284 1.104599 2.173833 2.843467 4.104735 2.493795 3.740760 3.089598 0.000000 4.810402 3.716501 4.963054 5.386281 5.459429 5.513368 5.749792 3.110695 2.283816 4.011351 2.976424 2.321327 3.869934 4.229681 3.340314 2.915260 3.825909 3.525926 3.497233 2.162137 1.099749 2.183478 3.412256 4.214905 3.741448 4.329074 2.518841 1.768932 0.000000 6.721004 6.185775 7.270303 7.208083 7.153224 7.905432 8.011653 5.196321 4.322426 5.820368 5.535066 4.953719 6.401965 6.744275 5.215299 5.032494 5.748156 3.415288 4.076086 3.470276 2.202476 1.102945 2.215843 4.178742 4.079835 5.146384 4.090375 2.460391 2.645771 0.000000 6.851078 6.058329 7.202388 7.202338 7.520525 7.619220 8.078194 5.471403 4.663160 6.336425 5.028276 4.331504 5.664897 6.587987 5.368326 4.713752 5.278819 2.813820 3.766805 2.889453 2.163868 1.102589 2.162368 3.188697 4.241868 4.661232 3.045813 3.068696 2.432456 1.777199 0.000000 6.408185 6.742481 7.386535 6.568553 6.810877 7.913523 8.230201 5.737911 5.254252 6.355608 5.992543 5.808299 6.738799 7.591861 5.092507 4.911624 5.236140 2.152527 2.765060 3.192711 2.844757 2.173808 1.105345 3.052115 2.563262 3.746871 4.035727 2.807813 3.885526 2.462446 3.062364 0.000000 7.583464 7.544206 8.354514 7.694973 8.153438 8.746934 9.280893 6.773859 6.170772 7.547136 6.519335 6.135747 7.111273 8.301789 6.211410 5.671665 5.925636 2.161250 3.476665 3.617485 3.412228 2.196866 1.099973 2.472117 3.793345 4.302854 4.047281 3.890367 4.265546 2.678938 2.429293 1.775075 0.000000 C13H20 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 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;32;33/rA:33nC0C0C0H0H0H0H0C0H0H0C0H0H0H0C0C0H0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.6507,1.1589,-.9059;-2.6683,-.936,.4351;-3.5407,.3095,.0882;-2.5404,2.2017,-.5752;-3.0774,1.1624,-1.9212;-3.8098,.8841,.9886;-4.4802,-.009,-.3889;-1.868,-1.0931,-.8685;-1.0821,-1.8582,-.8075;-2.4914,-1.2932,-1.7535;-1.5031,-.5417,1.384;-.8927,-1.4282,1.6352;-1.837,-.098,2.3352;-3.2622,-1.7985,.7776;-1.3716,.3496,-.786;-.7948,.5065,.507;-.7906,1.5252,.9113;3.0328,1.0052,.3845;1.7436,1.5639,-.0252;1.2946,.2783,.6007;1.5133,-1.0041,-.1847;3.0035,-1.3493,-.2522;3.7305,-.012,-.473;3.4953,1.3535,1.3108;1.5199,1.608,-1.1023;1.4104,2.47,.4943;1.245,.2242,1.691;1.1133,-.8504,-1.2027;.9358,-1.8267,.2617;3.2279,-2.0964,-1.0319;3.3254,-1.774,.7131;3.6644,.2734,-1.5388;4.7989,-.0836,-.2211; 1.9163101 0.4446389 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0.51644 0.51770 0.52335 0.52461 0.52600 0.53144 0.53758 0.54085 0.54460 0.54735 0.55312 0.55864 0.56352 0.56836 0.57370 0.57613 0.57696 0.59232 0.60299 0.60934 0.61350 0.61875 0.63031 0.63238 0.65759 0.66317 0.66853 0.69198 0.69764 0.71141 0.72263 0.74076 0.74618 0.76146 0.77150 0.78936 0.79976 0.81073 0.82531 0.82835 0.83827 0.85813 0.86643 0.87396 0.88605 0.88811 0.89870 0.91771 0.92183 0.93490 0.93782 0.94371 0.94973 0.95297 0.96827 0.97967 0.98415 0.99200 0.99858 1.00764 1.01339 1.02112 1.03270 1.04243 1.04950 1.05655 1.07031 1.07994 1.08202 1.08957 1.10217 1.10867 1.11766 1.12034 1.12675 1.12987 1.13316 1.14380 1.15460 1.15699 1.16331 1.17407 1.18103 1.18715 1.19109 1.19536 1.20649 1.21543 1.22276 1.22734 1.23999 1.24468 1.25227 1.25741 1.27312 1.27943 1.28688 1.28971 1.29807 1.30410 1.31024 1.31240 1.32428 1.32601 1.33278 1.34539 1.34819 1.35731 1.36550 1.37697 1.38814 1.39073 1.39968 1.41347 1.41658 1.42987 1.43450 1.44313 1.45661 1.46014 1.46722 1.47359 1.48359 1.48582 1.49311 1.50152 1.50899 1.51467 1.52189 1.52844 1.53443 1.54242 1.54821 1.55338 1.56013 1.56731 1.57612 1.58207 1.59109 1.59406 1.59905 1.61326 1.61945 1.63450 1.63716 1.63852 1.65238 1.65978 1.68056 1.69038 1.70113 1.71156 1.72650 1.73232 1.74027 1.75009 1.75931 1.76700 1.77765 1.78428 1.80080 1.81050 1.81684 1.83588 1.83893 1.84703 1.86748 1.88030 1.89878 1.91540 1.92800 1.93224 1.94152 1.95306 1.96739 1.98802 2.01817 2.03756 2.07239 2.08943 2.10723 2.11326 2.13228 2.14237 2.15268 2.19333 2.20063 2.21619 2.23946 2.25155 2.26268 2.28296 2.29771 2.33074 2.33906 2.34926 2.37407 2.40175 2.43059 2.44615 2.45863 2.46474 2.47924 2.49781 2.50355 2.52741 2.53977 2.55343 2.55892 2.57321 2.58663 2.59044 2.59817 2.61672 2.62987 2.63965 2.64865 2.65146 2.65694 2.66375 2.67627 2.69433 2.70241 2.72011 2.74714 2.75194 2.75781 2.76262 2.77093 2.78989 2.79457 2.80497 2.82790 2.83578 2.84254 2.84744 2.86054 2.87186 2.88682 2.89445 2.90259 2.90797 2.91403 2.92226 2.93907 2.94121 2.95343 2.96359 2.97759 2.98179 2.98901 2.99794 3.00479 3.00900 3.01842 3.02680 3.03152 3.04069 3.04918 3.06223 3.08576 3.08909 3.09555 3.11804 3.12176 3.13497 3.14233 3.14718 3.16217 3.16414 3.17614 3.17828 3.18331 3.20542 3.20844 3.21292 3.21979 3.22931 3.24069 3.25639 3.26260 3.26365 3.26617 3.27654 3.28579 3.28773 3.30730 3.31099 3.32203 3.32347 3.33493 3.34862 3.35792 3.36348 3.37061 3.37462 3.37931 3.38589 3.39275 3.40260 3.41859 3.42010 3.42762 3.43607 3.43760 3.44285 3.45151 3.46433 3.47102 3.47604 3.48348 3.49940 3.50682 3.51509 3.52223 3.53131 3.54143 3.54390 3.55209 3.56443 3.57016 3.57765 3.58955 3.59138 3.60148 3.61067 3.62798 3.63239 3.63711 3.64218 3.65289 3.66380 3.67671 3.68303 3.69674 3.70681 3.71318 3.71691 3.72567 3.73353 3.73797 3.74697 3.76640 3.77459 3.77761 3.78507 3.79774 3.80839 3.81702 3.82571 3.83686 3.84564 3.84754 3.85189 3.86051 3.86475 3.88209 3.88694 3.89730 3.90610 3.90993 3.91444 3.92165 3.93537 3.94877 3.95328 3.97190 3.97368 3.98115 3.98936 4.00112 4.01414 4.01814 4.02196 4.02744 4.03640 4.04413 4.05613 4.06182 4.06814 4.07763 4.08982 4.09388 4.10144 4.10695 4.12988 4.13203 4.14402 4.15035 4.15344 4.16038 4.16681 4.17706 4.18726 4.19158 4.19574 4.20201 4.20820 4.21969 4.23416 4.23806 4.24516 4.24903 4.25701 4.25995 4.26723 4.27538 4.28340 4.29754 4.30071 4.30571 4.31192 4.31867 4.32936 4.33683 4.34022 4.35773 4.36587 4.37060 4.38231 4.38460 4.39223 4.41164 4.41569 4.41928 4.43243 4.43872 4.44833 4.45484 4.46470 4.47611 4.48875 4.50208 4.51110 4.51781 4.52774 4.53189 4.54848 4.54975 4.56254 4.58443 4.58907 4.60232 4.61116 4.61400 4.62840 4.63597 4.65740 4.66017 4.66682 4.67313 4.69452 4.69942 4.71078 4.71720 4.72386 4.74466 4.74854 4.75848 4.76727 4.77799 4.78905 4.83289 4.83476 4.84693 4.85735 4.86036 4.87076 4.87476 4.88006 4.88372 4.90223 4.91354 4.92451 4.93247 4.94819 4.95563 4.96503 4.97953 4.99555 5.01427 5.01831 5.02996 5.03451 5.04186 5.05361 5.06795 5.07585 5.09144 5.09876 5.10464 5.12958 5.13105 5.14040 5.14783 5.14920 5.15689 5.17311 5.17860 5.20627 5.21914 5.22121 5.22497 5.24769 5.25236 5.26911 5.29941 5.30625 5.30810 5.34041 5.34462 5.36601 5.37888 5.39359 5.40944 5.42733 5.44219 5.45949 5.46911 5.47478 5.50031 5.50566 5.52741 5.53766 5.54964 5.56939 5.57068 5.58835 5.59766 5.60359 5.62177 5.62740 5.63808 5.64621 5.66067 5.68183 5.69685 5.70418 5.71466 5.73288 5.74712 5.75857 5.77685 5.78848 5.79917 5.80297 5.83499 5.86986 5.89779 5.90004 5.93637 5.94786 5.97077 6.04550 22.89125 23.11983 23.25315 23.37003 23.39521 23.45192 23.47770 23.51446 23.55642 23.58228 23.63713 23.69552 23.75598 -10.30672 -10.29728 -10.29013 -10.28444 -10.28372 -10.28204 -10.28131 -10.28091 -10.28030 -10.27729 -10.27554 -10.26616 -10.26255 -0.97333 -0.96102 -0.86093 -0.83500 -0.81699 -0.79835 -0.77801 -0.70425 -0.68856 -0.66107 -0.65615 -0.63259 -0.60065 -0.58059 -0.55783 -0.54428 -0.53374 -0.53080 -0.51220 -0.50310 -0.48555 -0.47787 -0.45719 -0.43984 -0.43500 -0.43403 -0.42225 -0.41262 -0.41153 -0.40837 -0.40269 -0.39980 -0.39115 -0.37436 -0.32496 -0.22363 0.01799 0.10363 0.11877 0.12174 0.13100 0.14170 0.15167 0.15399 0.15576 0.16355 0.17040 0.17434 0.17721 0.18434 0.18710 0.19490 0.19581 0.20611 0.21085 0.22354 0.22587 0.23511 0.23881 0.25106 0.25276 0.25947 0.26616 0.26805 0.27570 0.27852 0.29147 0.29655 0.30001 0.31173 0.31910 0.32393 0.32738 0.33111 0.33804 0.34481 0.35182 0.35575 0.36260 0.36974 0.38508 0.38693 0.39892 0.40367 0.42102 0.42954 0.44341 0.45257 0.45861 0.46136 0.46664 0.47207 0.47903 0.48195 0.48865 0.48979 0.49092 0.49776 0.49882 0.50009 0.50637 0.50995 0.51278 0.51634 0.51774 0.52274 0.52427 0.52659 0.53074 0.53786 0.54150 0.54358 0.54753 0.55309 0.55891 0.56331 0.56742 0.57443 0.57559 0.57664 0.59150 0.60189 0.60960 0.61243 0.61742 0.63036 0.63314 0.65668 0.66317 0.66909 0.69176 0.69799 0.71157 0.72246 0.73978 0.74543 0.76292 0.77132 0.78948 0.79885 0.81093 0.82520 0.82767 0.83831 0.85855 0.86619 0.87343 0.88493 0.88698 0.89923 0.91748 0.92092 0.93452 0.93840 0.94301 0.94939 0.95245 0.96755 0.97791 0.98435 0.99120 0.99867 1.00763 1.01276 1.02018 1.03231 1.03990 1.05044 1.05695 1.07096 1.07998 1.08197 1.08988 1.10128 1.10733 1.11634 1.11990 1.12613 1.12885 1.13246 1.14410 1.15367 1.15813 1.16322 1.17337 1.18143 1.18656 1.19060 1.19571 1.20638 1.21526 1.22377 1.22730 1.24071 1.24432 1.25187 1.25964 1.27309 1.27955 1.28795 1.28888 1.29785 1.30402 1.31004 1.31220 1.32389 1.32592 1.33200 1.34577 1.35137 1.35759 1.36458 1.37720 1.38869 1.39057 1.39901 1.41358 1.41739 1.42967 1.43516 1.44391 1.45679 1.46018 1.46828 1.47436 1.48321 1.48555 1.49224 1.50028 1.50907 1.51433 1.52254 1.52796 1.53428 1.54288 1.54764 1.55240 1.55988 1.56724 1.57471 1.58144 1.59003 1.59316 1.59959 1.61296 1.61938 1.63320 1.63481 1.63780 1.65306 1.65849 1.67958 1.69039 1.70230 1.71050 1.72678 1.73262 1.74047 1.74808 1.75971 1.76707 1.77796 1.78383 1.80214 1.81057 1.81579 1.83496 1.83801 1.84720 1.86584 1.88007 1.89684 1.91453 1.92827 1.93148 1.94092 1.95536 1.96788 1.98799 2.01650 2.03701 2.07583 2.09008 2.10556 2.11311 2.13373 2.14202 2.15225 2.19516 2.20091 2.21490 2.23835 2.25205 2.26259 2.28335 2.29581 2.33178 2.33789 2.35084 2.37436 2.40135 2.43258 2.44358 2.46077 2.46587 2.48218 2.49696 2.50223 2.52804 2.53910 2.55324 2.56051 2.57351 2.58459 2.59135 2.59839 2.61814 2.62944 2.64001 2.64726 2.65069 2.65638 2.66345 2.67723 2.69478 2.70373 2.71967 2.74536 2.75302 2.75754 2.76242 2.77100 2.78974 2.79467 2.80506 2.82667 2.83561 2.84277 2.84764 2.86040 2.87192 2.88594 2.89418 2.90286 2.90822 2.91170 2.92085 2.93878 2.94170 2.95270 2.96294 2.97785 2.98267 2.98839 2.99778 3.00445 3.00882 3.01883 3.02653 3.03085 3.04002 3.04892 3.06224 3.08522 3.08837 3.09382 3.11790 3.12188 3.13570 3.14146 3.14598 3.16135 3.16453 3.17461 3.17709 3.18274 3.20348 3.20855 3.21263 3.21829 3.22832 3.23863 3.25699 3.26072 3.26303 3.26681 3.27661 3.28403 3.28814 3.30560 3.31096 3.32025 3.32534 3.33488 3.35003 3.35740 3.36340 3.36939 3.37292 3.37883 3.38408 3.39354 3.40518 3.42157 3.42329 3.42869 3.43520 3.43662 3.44226 3.45140 3.46411 3.47154 3.47658 3.48234 3.49985 3.50601 3.51465 3.52253 3.52983 3.54124 3.54460 3.55120 3.56414 3.56952 3.57733 3.58817 3.59136 3.60190 3.60955 3.62875 3.63172 3.63671 3.64187 3.65257 3.66435 3.67621 3.68364 3.69530 3.70678 3.71295 3.71547 3.72607 3.73365 3.73721 3.74724 3.76773 3.77429 3.77705 3.78537 3.79749 3.80821 3.81889 3.82538 3.83687 3.84637 3.84836 3.85261 3.86059 3.86554 3.88317 3.88637 3.89638 3.90554 3.90991 3.91505 3.92107 3.93626 3.94761 3.95367 3.97219 3.97448 3.98086 3.98972 4.00157 4.01426 4.01826 4.02150 4.02851 4.03501 4.04394 4.05674 4.06080 4.06942 4.07773 4.08994 4.09404 4.10205 4.10678 4.13002 4.13317 4.14462 4.15061 4.15238 4.16116 4.16719 4.17782 4.18653 4.19209 4.19565 4.20162 4.20815 4.21950 4.23447 4.23903 4.24552 4.24982 4.25616 4.25989 4.26834 4.27528 4.28320 4.29721 4.30041 4.30577 4.31359 4.31790 4.32858 4.33652 4.34002 4.35738 4.36772 4.37006 4.38180 4.38422 4.39322 4.41168 4.41656 4.42025 4.43139 4.43952 4.44862 4.45432 4.46460 4.47614 4.48885 4.50174 4.51145 4.51737 4.52851 4.53079 4.54779 4.55046 4.56393 4.58475 4.58840 4.60254 4.61114 4.61453 4.62962 4.63920 4.65721 4.66066 4.66632 4.67350 4.69363 4.69996 4.71061 4.71684 4.72368 4.74480 4.74852 4.75939 4.76935 4.77761 4.78833 4.83167 4.83386 4.84549 4.85771 4.86010 4.87069 4.87361 4.87953 4.88295 4.90149 4.91380 4.92387 4.93190 4.94816 4.95547 4.96423 4.97966 4.99580 5.01500 5.01910 5.03018 5.03462 5.04119 5.05353 5.06737 5.07607 5.09064 5.09926 5.10410 5.12799 5.13063 5.14122 5.14898 5.14971 5.15663 5.17281 5.17918 5.20606 5.21916 5.21987 5.22730 5.24774 5.25271 5.26910 5.30052 5.30541 5.30721 5.33973 5.34439 5.36511 5.37875 5.39288 5.41019 5.42694 5.44220 5.45895 5.46851 5.47416 5.49999 5.50463 5.52718 5.53757 5.55034 5.56862 5.56988 5.58791 5.59756 5.60341 5.62177 5.62751 5.63770 5.64588 5.66086 5.68115 5.69731 5.70420 5.71438 5.73296 5.74679 5.75853 5.77608 5.78839 5.79843 5.80203 5.83445 5.87010 5.89785 5.89974 5.93616 5.94784 5.97081 6.04411 22.90257 23.11413 23.24730 23.36932 23.39617 23.45257 23.47830 23.51473 23.55602 23.58248 23.63746 23.69534 23.75533 1-A. 0.7191 -0.1742 1.0244 1.2637 -80.8129 -81.8129 -82.0591 -0.3930 0.4308 1.6713 0.7487 -0.2512 -0.4975 -0.3930 0.4308 1.6713 6.8828 0.6717 3.4188 -0.9066 -4.0667 0.7987 2.3649 0.6610 3.7926 0.3108 -3056.5946 -608.2006 -395.4838 -5.2569 27.2499 -6.2913 6.4366 1.1410 6.8451 -629.1962 -565.9197 -166.8474 10.8548 0.0258 2.1599 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= 764 764 764 764 764 MxSgAt= 33 MxSgA2= 33. 1 open 1 0 1 -507.073338136056 -507.157170913617 -0.083832777562 -507.242704658088 -0.085533744471 -507.254584535307 -0.011879877218 -507.256139993239 -0.001555457932 -507.257083863199 -0.000943869959 -507.257422477165 -0.000338613967 -507.257551717243 -0.000129240077 -507.257623867062 -0.000072149819 -507.257661302891 -0.000037435829 -507.257677915526 -0.000016612635 -507.257684746089 -0.000006830563 -507.257687173322 -0.000002427234 -507.257672393320 0.000014780002 -507.257682558787 -0.000010165467 -507.257682624020 -0.000000065233 -507.257682634018 -0.000000009998 -507.257682640607 -0.000000006588 -507.257682643692 -0.000000003086 -507.257682645011 -0.000000001318 -507.257682645474 -0.000000000463 -507.257682645667 -0.000000000193 -507.257682645759 -0.000000000091 -507.257682645806 -0.000000000048 -507.257682645799 0.000000000007 -507.257682645822 -0.000000000022 -507.257682646 26 0.5700 5.041104694282e+02 -2.826454930938e+03 9.893149905449e+02 Using DIIS extrapolation, IDIIS= 1040. NGot= 64424509440 LenX= 64423273138 LenY= 64422682546 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. 0.5700 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 33 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 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 1 1 -0.01260 0.02304 0.03096 0.00041 -0.00014 -0.00032 0.00126 0.00304 0.00153 0.00080 0.04097 -0.00721 -0.00152 -0.00035 0.17885 -0.11475 0.00502 -0.03860 -0.00250 -0.05962 -0.00927 -0.01705 0.01310 0.00606 -0.00176 -0.00055 -0.00829 0.00067 0.00086 -0.00023 0.00031 -0.00433 -0.00195 -7.08414 12.94932 17.40323 0.91811 -0.32055 -0.71252 2.81024 1.70712 3.41562 1.78685 23.02674 -16.12287 -3.39010 -0.78194 100.53215 -64.49977 11.22922 -21.69715 -1.40395 -33.51100 -5.20893 -9.58193 7.36164 13.55450 -3.92399 -1.22919 -18.52491 1.50674 1.93010 -0.51072 0.69168 -9.67730 -4.35641 -2.52780 4.62064 6.20991 0.32761 -0.11438 -0.25424 1.00276 0.60914 1.21878 0.63759 8.21651 -5.75304 -1.20967 -0.27901 35.87237 -23.01512 4.00687 -7.74208 -0.50097 -11.95756 -1.85868 -3.41907 2.62682 4.83658 -1.40018 -0.43861 -6.61015 0.53764 0.68871 -0.18224 0.24681 -3.45310 -1.55448 -2.36301 4.31943 5.80509 0.30625 -0.10692 -0.23767 0.93739 0.56943 1.13933 0.59603 7.68089 -5.37801 -1.13082 -0.26083 33.53392 -21.51481 3.74566 -7.23739 -0.46831 -11.17807 -1.73751 -3.19619 2.45558 4.52129 -1.30890 -0.41001 -6.17924 0.50259 0.64381 -0.17036 0.23072 -3.22800 -1.45314 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 33 0.010598 -0.014510 0.008935 -0.000684 0.007167 -0.002713 0.003823 -0.006805 -0.005092 -0.000119 -0.016122 0.001550 -0.002783 -0.001494 0.128047 -0.439799 -0.000861 0.002424 0.001853 0.238809 -0.000430 0.012876 0.000801 0.014170 0.004254 -0.001530 -0.004175 0.004430 -0.000728 0.002597 0.004378 0.003572 -0.001991 -0.003321 -0.007133 -0.008216 0.004781 -0.002954 -0.000351 -0.003328 0.017998 0.009714 0.003961 0.005703 -0.002866 0.000578 0.000860 -0.290890 0.175407 -0.025305 -0.107216 -0.020742 -0.140846 -0.008204 -0.024181 -0.000694 0.010748 0.001219 -0.002384 -0.008234 -0.000789 -0.000452 -0.002490 -0.005327 0.001477 0.000060 -0.007278 0.021644 -0.000719 -0.004097 -0.004213 0.003064 -0.000496 -0.011193 -0.004622 -0.003842 0.010419 0.001316 0.002205 0.000633 0.162844 0.264392 0.026167 0.104792 0.018889 -0.097962 0.008634 0.011305 -0.000107 -0.024918 -0.005473 0.003914 0.012409 -0.003640 0.001180 -0.000107 0.000949 -0.005049 0.001932 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 33 -0.008616 -0.001503 0.017098 -0.004982 -0.004635 -0.000106 0.001626 0.007853 -0.002533 0.006862 0.013417 -0.003931 -0.001182 0.001290 0.165951 0.169240 0.003806 -0.319976 -0.027881 -0.000764 -0.003946 -0.023317 0.000415 -0.021329 0.004150 0.005506 -0.002540 -0.006660 -0.001511 -0.000795 -0.000134 0.001396 0.005038 -0.011650 -0.025399 -0.031169 -0.004382 0.005734 -0.004040 0.000192 -0.003079 -0.001112 0.001466 -0.012182 0.001188 0.000790 -0.002329 -0.521187 0.014583 0.002134 0.208929 0.010976 0.048054 0.001963 0.000541 0.004956 -0.012871 -0.002818 0.003277 0.002640 0.000865 0.002418 0.000786 0.000898 0.002143 0.003131 0.005041 -0.004678 -0.017677 0.003088 -0.003789 0.002193 -0.000065 -0.003251 -0.003852 0.004373 -0.024506 -0.000477 0.002285 -0.001398 -0.171303 0.005553 -0.013281 0.246448 0.018954 0.008521 -0.005268 0.001139 -0.002814 -0.006786 0.002366 0.000694 0.006380 -0.002416 -0.001458 -0.002352 0.001882 -0.004143 -0.001729 0.406 -0.11 0.9072 0.3957 0.916 -0.066 0.8238 -0.3858 -0.4154 -0.0131 -0.0074 0.0205 -1.758 -0.994 2.752 -0.627 -0.355 0.982 -0.586 -0.331 0.918 1 C 13 0.8725 0.1645 0.4601 -0.184 0.9829 -0.0026 -0.4527 -0.0824 0.8878 -0.0282 -0.0068 0.035 -3.783 -0.918 4.7 -1.35 -0.327 1.677 -1.262 -0.306 1.568 2 C 13 0.5696 0.2168 0.7928 -0.4545 0.8868 0.0841 0.6848 0.4083 -0.6036 -0.0279 -0.0187 0.0466 -3.75 -2.503 6.253 -1.338 -0.893 2.231 -1.251 -0.835 2.086 3 C 13 0.5804 0.0319 0.8137 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2.46587 2.48218 2.49696 2.50223 2.52804 2.53910 2.55324 2.56051 2.57351 2.58459 2.59135 2.59839 2.61814 2.62944 2.64001 2.64726 2.65069 2.65638 2.66345 2.67723 2.69478 2.70373 2.71967 2.74536 2.75302 2.75754 2.76242 2.77100 2.78974 2.79467 2.80506 2.82667 2.83561 2.84277 2.84764 2.86040 2.87192 2.88594 2.89418 2.90286 2.90822 2.91170 2.92085 2.93878 2.94170 2.95270 2.96294 2.97785 2.98267 2.98839 2.99778 3.00445 3.00882 3.01883 3.02653 3.03085 3.04002 3.04892 3.06224 3.08522 3.08837 3.09382 3.11790 3.12188 3.13570 3.14146 3.14598 3.16135 3.16453 3.17461 3.17709 3.18274 3.20348 3.20855 3.21263 3.21829 3.22832 3.23863 3.25699 3.26072 3.26303 3.26681 3.27661 3.28403 3.28814 3.30560 3.31096 3.32025 3.32534 3.33488 3.35003 3.35740 3.36340 3.36939 3.37292 3.37883 3.38408 3.39354 3.40518 3.42157 3.42329 3.42869 3.43520 3.43662 3.44226 3.45140 3.46411 3.47154 3.47658 3.48234 3.49985 3.50601 3.51465 3.52253 3.52983 3.54124 3.54460 3.55120 3.56414 3.56952 3.57733 3.58817 3.59136 3.60190 3.60955 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(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 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(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-MOLSCI-D140-105 FOO 20-Jun-2026 0 Title Card Required 0 1 Version=ES64L-G16RevC.02 State=1-A HF=-507.2576826 S2=0.570044 S2-1=0. 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