Gaussian 16 20-Jun-2026 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 29 29 48 48 627 (5D, 7F) def2TZVPP 81 C1[X(C12H16O)] UwB97XD def2TZVPP Stability #p uwb97xd/def2TZVPP stable=opt guess=(mix,always) Int=UltraFine 160.1278 0 1 AuxInfo=1/0/N:1;2;3;4;5;6;7;18;19;20;21;26;29;8;9;10;11;12;13;14;15;16;17;22;23;24;25;27;28/rA:29nC0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0C0C0C0C0H0H0H0H0C0H0H0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.4998,-1.1928,-.9359;-1.1813,.0037,-.0198;-1.5208,1.452,-.415;-2.9825,1.3432,.0873;-2.7514,-.1091,.5031;-2.9632,-1.2966,-.4376;-1.5944,-.2779,1.3973;-.8456,-2.0601,-.7451;-1.4126,-.932,-1.9995;-1.4417,1.6118,-1.4994;-.8718,2.1889,.0887;-3.2714,2.018,.9082;-3.729,1.4362,-.7126;-3.7076,-1.0844,-1.2166;-3.2483,-2.2357,.0625;-1.3847,-1.2861,1.7676;-1.3885,.5147,2.1228;1.07,.0347,-.0125;1.6319,1.1946,-.3526;1.6125,-1.1108,.3853;3.0431,1.1897,.2011;1.3514,1.8103,-1.2098;1.1862,-1.798,1.1201;3.0435,1.2158,1.3068;3.646,2.0274,-.1743;3.0837,-1.2253,.0018;3.5849,-1.7092,.8639;3.2602,-1.8626,-.8808;3.6929,.0141,-.2772; /opt/g16/c02-avx2/g16/g16 /opt/g16/c02-avx2/g16/l1.exe "/fast/scratch/foo/job_794_K-TS-cyclohexadiene-O-2-fo_tight_redo_stableSP/Gau-115063.inp" -scrdir="/fast/scratch/foo/job_794_K-TS-cyclohexadiene-O-2-fo_tight_redo_stableSP/" nproc=64 mem=480GB #p uwb97xd/def2TZVPP stable=opt guess=(mix,always) Int=UltraFine 1/38=1,172=1/1 2/12=2,17=6,18=5,40=1/2 3/5=44,7=202,11=2,25=1,30=1,74=-58,75=-5,116=2/1,2,3 4/13=-1/1 5/5=2,38=5/2 6/7=2,8=2,9=2,10=2,28=1/1 8/6=1,10=90,11=11/1 9/8=-3,42=1,46=1/14 5/5=2,8=3,17=40,38=5/8(-2) 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Title Card Required 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 12 12 12 12 1 1 1 1 12 1 1 16 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 15.9949146 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 0 0 0 0 1 1 1 1 0 1 1 0 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /opt/g16/c02-avx2/g16/l101.exe) 0.10000e-02 0.10000e-05 F 708 A 627 A 935 708 795.3485509315 29 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 -0.0216557977 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 0 160.1278 AuxInfo=1/0/N:1;2;3;4;5;6;7;18;19;20;21;26;29;8;9;10;11;12;13;14;15;16;17;22;23;24;25;27;28/rA:29nC0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0C0C0C0C0H0H0H0H0C0H0H0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.4998,-1.1928,-.9359;-1.1813,.0037,-.0198;-1.5208,1.452,-.415;-2.9825,1.3432,.0873;-2.7514,-.1091,.5031;-2.9632,-1.2966,-.4376;-1.5945,-.2779,1.3973;-.8456,-2.0601,-.7451;-1.4126,-.932,-1.9995;-1.4417,1.6118,-1.4994;-.8718,2.1889,.0887;-3.2714,2.018,.9082;-3.729,1.4362,-.7126;-3.7076,-1.0844,-1.2166;-3.2483,-2.2357,.0625;-1.3847,-1.2861,1.7676;-1.3885,.5147,2.1228;1.07,.0347,-.0125;1.6319,1.1946,-.3526;1.6125,-1.1108,.3853;3.0431,1.1897,.2011;1.3514,1.8103,-1.2098;1.1862,-1.7981,1.1201;3.0435,1.2158,1.3068;3.646,2.0274,-.1743;3.0837,-1.2253,.0018;3.5849,-1.7092,.8639;3.2602,-1.8626,-.8808;3.6929,.0141,-.2772; 0.000000 1.540145 0.000000 2.695652 1.539176 0.000000 3.110691 2.247200 1.549469 0.000000 2.193491 1.658658 2.189595 1.528181 0.000000 1.549466 2.245101 3.104208 2.691527 1.529667 0.000000 2.507933 1.502740 2.506521 2.504131 1.471963 2.505639 0.000000 1.102977 2.213105 3.591592 4.103818 2.999361 2.271970 2.885622 0.000000 1.098628 2.201868 2.864571 3.463523 2.955089 2.230975 3.464032 1.779797 0.000000 2.861181 2.200644 1.098888 2.227956 2.947266 3.449808 3.461939 3.795629 2.592633 0.000000 3.588854 2.209725 1.103584 2.273814 2.997555 4.098771 2.884446 4.330119 3.793825 1.783175 0.000000 4.104702 3.047495 2.266297 1.101263 2.226933 3.590675 2.884907 5.024825 4.540144 3.051122 2.541420 0.000000 3.454152 3.003810 2.228262 1.098080 2.195822 2.851408 3.456350 4.532048 3.553984 2.425225 3.061381 1.781811 0.000000 2.228266 2.999740 3.443591 2.849436 2.196136 1.098197 3.456691 3.060292 2.429699 3.533241 4.523309 3.785562 2.570663 0.000000 2.267502 3.048549 4.100152 3.588792 2.227862 1.101431 2.889595 2.540804 3.053071 4.528346 5.022475 4.337034 3.783505 1.781166 0.000000 2.707507 2.213514 3.504216 3.505621 2.202774 2.711960 1.094327 2.683858 3.783818 4.367362 3.893274 3.900703 4.365578 3.787118 2.698517 0.000000 3.504752 2.212427 2.708617 2.714842 2.206832 3.509447 1.094056 3.892168 4.368876 3.785029 2.684705 2.698240 3.790329 4.368904 3.907459 1.835509 0.000000 2.993837 2.251546 2.980386 4.259645 3.858662 4.268506 3.030593 2.931634 3.323551 3.317592 2.901968 4.860942 5.048249 5.052524 4.879303 3.307350 3.291486 0.000000 3.980833 3.073012 3.163797 4.637725 4.652424 5.227690 3.954744 4.109128 4.062439 3.306988 2.729882 5.129365 5.378443 5.869494 5.979552 4.443971 3.963946 1.332926 0.000000 3.382056 3.035039 4.126203 5.217694 4.478879 4.652836 3.464408 2.867258 3.856206 4.504687 4.140982 5.823654 6.018652 5.556105 4.999628 3.305183 3.829717 1.328426 2.420649 0.000000 5.254125 4.393269 4.612683 6.028578 5.945874 6.531849 5.009119 5.155361 5.403380 4.814826 4.041961 6.407697 6.837871 7.263117 7.164689 5.309258 4.877222 2.296184 1.515877 2.715242 0.000000 4.150023 3.330888 3.001566 4.547904 4.842611 5.372657 4.453759 4.474685 3.972818 2.815059 2.602342 5.089158 5.118375 5.828644 6.256646 5.093025 4.504672 2.159993 1.092089 3.338484 2.288572 0.000000 3.436253 3.186049 4.499692 5.320912 4.328739 4.460476 3.181173 2.770525 4.151590 5.039279 4.603846 5.871776 6.162703 5.469842 4.579805 2.700163 3.603257 2.157614 3.365012 1.092657 3.635781 4.298389 0.000000 5.610020 4.591140 4.883967 6.149484 5.998517 6.740652 4.873418 5.483347 5.949918 5.305504 4.214338 6.378129 7.070618 7.565490 7.283382 5.106948 4.560723 2.651467 2.178697 2.882718 1.106042 3.090329 3.545127 0.000000 6.117899 5.236676 5.204317 6.668889 6.778663 7.402760 5.936923 6.099839 6.138307 5.273859 4.528398 7.001636 7.418267 8.052704 8.109316 6.329148 5.736841 3.260807 2.186790 3.781077 1.098286 2.526837 4.728637 1.793105 0.000000 4.678467 4.438593 5.342534 6.588080 5.961954 6.063264 4.972908 4.085797 4.930249 5.548110 5.225961 7.192205 7.348943 6.901148 6.412296 4.804963 5.246575 2.375474 2.844141 1.524670 2.423560 3.699198 2.275697 2.768387 3.305674 0.000000 5.418422 5.141161 6.139733 7.283562 6.545113 6.688933 5.399861 4.726624 5.811838 6.471482 5.971472 7.804010 8.116155 7.609153 6.900070 5.068733 5.591507 3.183384 3.704829 2.116007 3.022636 4.655721 2.413924 3.007499 3.878599 1.108381 0.000000 4.807210 4.894062 5.836227 7.084204 6.413215 6.264858 5.591880 4.112822 4.894133 5.878947 5.867604 7.805266 7.730483 7.019203 6.587056 5.377871 6.023616 3.025080 3.503816 2.209866 3.245618 4.152389 2.882576 3.782780 3.972411 1.102860 1.781261 0.000000 5.371606 4.881033 5.410055 6.816161 6.492510 6.785865 5.553870 5.011914 5.470568 5.514525 5.069543 7.343178 7.569458 7.540348 7.304563 5.626158 5.641920 2.636318 2.376278 2.456134 1.425806 3.094935 3.394106 2.091628 2.016409 1.409029 2.069718 2.018344 0.000000 C12H16O 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 0 160.1278 AuxInfo=1/0/N:1;2;3;4;5;6;7;18;19;20;21;26;29;8;9;10;11;12;13;14;15;16;17;22;23;24;25;27;28/rA:29nC0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0C0C0C0C0H0H0H0H0C0H0H0O0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.4998,-1.1928,-.9359;-1.1813,.0037,-.0198;-1.5208,1.452,-.415;-2.9825,1.3432,.0873;-2.7514,-.1091,.5031;-2.9632,-1.2966,-.4376;-1.5945,-.2779,1.3973;-.8456,-2.0601,-.7451;-1.4126,-.932,-1.9995;-1.4417,1.6118,-1.4994;-.8718,2.1889,.0887;-3.2714,2.018,.9082;-3.729,1.4362,-.7126;-3.7076,-1.0844,-1.2166;-3.2483,-2.2357,.0625;-1.3847,-1.2861,1.7676;-1.3885,.5147,2.1228;1.07,.0347,-.0125;1.6319,1.1946,-.3526;1.6125,-1.1108,.3853;3.0431,1.1897,.2011;1.3514,1.8103,-1.2098;1.1862,-1.7981,1.1201;3.0435,1.2158,1.3068;3.646,2.0274,-.1743;3.0837,-1.2253,.0018;3.5849,-1.7092,.8639;3.2602,-1.8626,-.8808;3.6929,.0141,-.2772; 1.8887452 0.4580565 0.4104376 -19.24222 -10.33043 -10.32805 -10.31191 -10.30579 -10.30500 -10.29629 -10.29619 -10.29402 -10.29395 -10.29081 -10.27999 -10.27008 -1.12920 -1.03323 -0.89959 -0.87044 -0.85209 -0.82790 -0.78157 -0.72751 -0.71027 -0.70421 -0.67541 -0.59472 -0.59040 -0.58134 -0.56876 -0.55943 -0.55612 -0.54469 -0.51532 -0.50656 -0.49922 -0.48806 -0.48044 -0.47939 -0.47487 -0.45041 -0.44206 -0.42118 -0.40051 -0.39024 -0.38365 -0.34738 -0.33636 -0.31604 -0.24615 0.01269 0.10138 0.10981 0.11830 0.12428 0.13392 0.14287 0.14769 0.15278 0.16168 0.16622 0.17151 0.17337 0.18278 0.18574 0.19370 0.19604 0.21438 0.21956 0.22534 0.23616 0.24811 0.24966 0.25574 0.25970 0.26233 0.27185 0.27312 0.27895 0.29250 0.29831 0.29970 0.30891 0.31228 0.33314 0.33681 0.35035 0.35081 0.36428 0.36683 0.37118 0.38321 0.39229 0.39423 0.40229 0.40809 0.41633 0.42029 0.42880 0.44483 0.45544 0.45681 0.46332 0.46623 0.48012 0.48281 0.49074 0.49167 0.49643 0.50404 0.50720 0.50923 0.51177 0.51776 0.52110 0.52622 0.53388 0.53902 0.54179 0.54578 0.55217 0.55957 0.56050 0.56555 0.57161 0.57585 0.58091 0.59193 0.60405 0.61286 0.62316 0.63585 0.64191 0.65433 0.66657 0.67777 0.69005 0.69421 0.70258 0.71069 0.72908 0.73509 0.74184 0.75238 0.76510 0.77446 0.79144 0.80268 0.81607 0.82565 0.82862 0.84246 0.84683 0.85981 0.87084 0.89062 0.89659 0.90830 0.91923 0.92680 0.94302 0.95369 0.95690 0.96630 0.97277 0.98128 0.99767 1.00156 1.01379 1.02214 1.02513 1.03256 1.04305 1.04900 1.06372 1.06644 1.08076 1.09156 1.09786 1.10322 1.11144 1.13127 1.13224 1.14417 1.15352 1.15660 1.16103 1.16861 1.17478 1.18122 1.18472 1.19094 1.19591 1.20399 1.21017 1.21535 1.22071 1.23314 1.24872 1.25138 1.26551 1.26909 1.27571 1.27929 1.28722 1.29422 1.31159 1.32389 1.33023 1.33214 1.35170 1.35759 1.37861 1.38519 1.38877 1.39525 1.40737 1.41343 1.42737 1.42993 1.44351 1.45018 1.45315 1.46768 1.47088 1.48282 1.49236 1.50109 1.51089 1.51488 1.51584 1.52130 1.52899 1.53353 1.53863 1.54782 1.55069 1.56172 1.57084 1.57896 1.58813 1.59864 1.61501 1.61529 1.62473 1.63059 1.64819 1.67309 1.67371 1.68538 1.70136 1.71541 1.71777 1.72632 1.72974 1.74683 1.76554 1.76851 1.78264 1.79674 1.80835 1.83084 1.83580 1.84729 1.87327 1.88797 1.89660 1.92439 1.93344 1.94897 1.95428 1.97502 1.99348 2.01014 2.03494 2.05188 2.07201 2.08802 2.09564 2.11827 2.14009 2.15359 2.18028 2.18520 2.22066 2.22978 2.24251 2.26587 2.26829 2.29140 2.31544 2.34700 2.36679 2.40356 2.40603 2.42506 2.44002 2.45904 2.46501 2.47596 2.50113 2.51597 2.52521 2.54740 2.55865 2.58209 2.60000 2.61495 2.62489 2.63130 2.63770 2.64799 2.66142 2.66322 2.68529 2.68840 2.70261 2.71476 2.72508 2.74774 2.75731 2.76924 2.77037 2.79085 2.79636 2.80803 2.81509 2.83081 2.83917 2.85920 2.86611 2.87253 2.88258 2.89295 2.89874 2.90668 2.92195 2.93062 2.93914 2.95368 2.96306 2.97162 2.97529 2.98064 2.99304 3.00376 3.00935 3.02253 3.04071 3.04894 3.05498 3.06125 3.07469 3.08530 3.09060 3.09431 3.10515 3.10688 3.11814 3.13246 3.15316 3.15893 3.16828 3.17382 3.19092 3.19379 3.19922 3.22137 3.22845 3.23665 3.24654 3.25365 3.25824 3.26701 3.27342 3.28200 3.28832 3.30078 3.30593 3.31354 3.32010 3.32733 3.32828 3.33659 3.36014 3.36303 3.37271 3.38506 3.39247 3.40316 3.41446 3.42003 3.42892 3.43217 3.45392 3.46293 3.47229 3.48290 3.48557 3.49547 3.50139 3.50946 3.51457 3.52139 3.52935 3.53606 3.55380 3.55638 3.56121 3.56413 3.58035 3.59262 3.59321 3.60389 3.61034 3.62204 3.62997 3.63830 3.65385 3.66690 3.68131 3.69116 3.70134 3.71078 3.71803 3.72683 3.73147 3.74226 3.74825 3.75777 3.76048 3.77606 3.78507 3.79650 3.80573 3.81931 3.82926 3.83861 3.84596 3.85987 3.86330 3.87457 3.88821 3.89131 3.89419 3.91482 3.92525 3.93317 3.95384 3.95813 3.96499 3.97196 3.98507 3.98899 4.01438 4.01884 4.02954 4.03602 4.04216 4.05320 4.05992 4.06818 4.07666 4.08629 4.09393 4.10547 4.11068 4.12412 4.12864 4.14673 4.15213 4.15869 4.16752 4.17550 4.18668 4.19156 4.21084 4.22121 4.22864 4.23458 4.24748 4.25860 4.26227 4.26905 4.28282 4.28507 4.30369 4.30541 4.31136 4.32305 4.33586 4.33836 4.34554 4.35913 4.36878 4.37479 4.37695 4.38673 4.41105 4.41613 4.42463 4.43667 4.45305 4.45788 4.47738 4.48783 4.49351 4.50857 4.51921 4.52634 4.53238 4.54155 4.56026 4.58269 4.60364 4.61494 4.64116 4.64679 4.67576 4.69566 4.70873 4.72497 4.72818 4.74718 4.75215 4.76300 4.77002 4.78496 4.78717 4.80768 4.82658 4.83808 4.84693 4.85640 4.86466 4.86807 4.88137 4.89553 4.90372 4.93169 4.94082 4.96317 4.97465 4.97749 5.00086 5.00783 5.03095 5.05049 5.06436 5.06778 5.08324 5.08931 5.10957 5.12505 5.12863 5.14149 5.14733 5.15694 5.16846 5.18544 5.19370 5.20259 5.21223 5.24137 5.25213 5.28533 5.29347 5.31269 5.32580 5.34618 5.34692 5.36677 5.38090 5.39370 5.40384 5.40777 5.43306 5.44322 5.45322 5.47557 5.48078 5.49108 5.51394 5.52825 5.56594 5.57659 5.60854 5.61416 5.64811 5.66201 5.66850 5.67389 5.69171 5.69449 5.70325 5.71320 5.72128 5.72871 5.76398 5.78435 5.80902 5.81706 5.82899 5.87541 5.93370 5.96625 6.05826 6.15905 6.18956 6.44810 6.49546 6.84726 6.94629 7.18581 7.38908 7.52157 22.73953 22.95876 23.16624 23.20441 23.30890 23.42297 23.46758 23.47501 23.54458 23.57931 23.70010 23.70756 44.40377 -19.24222 -10.33043 -10.32805 -10.31191 -10.30579 -10.30500 -10.29629 -10.29619 -10.29402 -10.29395 -10.29081 -10.27999 -10.27008 -1.12920 -1.03323 -0.89959 -0.87044 -0.85209 -0.82790 -0.78157 -0.72751 -0.71027 -0.70421 -0.67541 -0.59472 -0.59040 -0.58134 -0.56876 -0.55943 -0.55612 -0.54469 -0.51532 -0.50656 -0.49922 -0.48806 -0.48044 -0.47939 -0.47487 -0.45041 -0.44206 -0.42118 -0.40051 -0.39024 -0.38365 -0.34738 -0.33636 -0.31604 -0.24615 0.01269 0.10138 0.10981 0.11830 0.12428 0.13392 0.14287 0.14769 0.15278 0.16168 0.16622 0.17151 0.17337 0.18278 0.18574 0.19370 0.19604 0.21438 0.21956 0.22534 0.23616 0.24811 0.24966 0.25574 0.25970 0.26233 0.27185 0.27312 0.27895 0.29250 0.29831 0.29970 0.30891 0.31228 0.33314 0.33681 0.35035 0.35081 0.36428 0.36683 0.37118 0.38321 0.39229 0.39423 0.40229 0.40809 0.41633 0.42029 0.42880 0.44483 0.45544 0.45681 0.46332 0.46623 0.48012 0.48281 0.49074 0.49167 0.49643 0.50404 0.50720 0.50923 0.51177 0.51776 0.52110 0.52622 0.53388 0.53902 0.54179 0.54578 0.55217 0.55957 0.56050 0.56555 0.57161 0.57585 0.58091 0.59193 0.60405 0.61286 0.62316 0.63585 0.64191 0.65433 0.66657 0.67777 0.69005 0.69421 0.70258 0.71069 0.72908 0.73509 0.74184 0.75238 0.76510 0.77446 0.79144 0.80268 0.81607 0.82565 0.82862 0.84246 0.84683 0.85981 0.87084 0.89062 0.89659 0.90830 0.91923 0.92680 0.94302 0.95369 0.95690 0.96630 0.97277 0.98128 0.99767 1.00156 1.01379 1.02214 1.02513 1.03256 1.04305 1.04900 1.06372 1.06644 1.08076 1.09156 1.09786 1.10322 1.11144 1.13127 1.13224 1.14417 1.15352 1.15660 1.16103 1.16861 1.17478 1.18122 1.18472 1.19094 1.19591 1.20399 1.21017 1.21535 1.22071 1.23314 1.24872 1.25138 1.26551 1.26909 1.27571 1.27929 1.28722 1.29422 1.31159 1.32389 1.33023 1.33214 1.35170 1.35759 1.37861 1.38519 1.38877 1.39525 1.40737 1.41343 1.42737 1.42993 1.44351 1.45018 1.45315 1.46768 1.47088 1.48282 1.49236 1.50109 1.51089 1.51488 1.51584 1.52130 1.52899 1.53353 1.53863 1.54782 1.55069 1.56172 1.57084 1.57896 1.58813 1.59864 1.61501 1.61529 1.62473 1.63059 1.64819 1.67309 1.67371 1.68538 1.70136 1.71541 1.71777 1.72632 1.72974 1.74683 1.76554 1.76851 1.78264 1.79674 1.80835 1.83084 1.83580 1.84729 1.87327 1.88797 1.89660 1.92439 1.93344 1.94897 1.95428 1.97502 1.99348 2.01014 2.03494 2.05188 2.07201 2.08802 2.09564 2.11827 2.14009 2.15359 2.18028 2.18520 2.22066 2.22978 2.24251 2.26587 2.26829 2.29140 2.31544 2.34700 2.36679 2.40356 2.40603 2.42506 2.44002 2.45904 2.46501 2.47596 2.50113 2.51597 2.52521 2.54740 2.55865 2.58209 2.60000 2.61495 2.62489 2.63130 2.63770 2.64799 2.66142 2.66322 2.68529 2.68840 2.70261 2.71476 2.72508 2.74774 2.75731 2.76924 2.77037 2.79085 2.79636 2.80803 2.81509 2.83081 2.83917 2.85920 2.86611 2.87253 2.88258 2.89295 2.89874 2.90668 2.92195 2.93062 2.93914 2.95368 2.96306 2.97162 2.97529 2.98064 2.99304 3.00376 3.00935 3.02253 3.04071 3.04894 3.05498 3.06125 3.07469 3.08530 3.09060 3.09431 3.10515 3.10688 3.11814 3.13246 3.15316 3.15893 3.16828 3.17382 3.19092 3.19379 3.19922 3.22137 3.22845 3.23665 3.24654 3.25365 3.25824 3.26701 3.27342 3.28200 3.28832 3.30078 3.30593 3.31354 3.32010 3.32733 3.32828 3.33659 3.36014 3.36303 3.37271 3.38506 3.39247 3.40316 3.41446 3.42003 3.42892 3.43217 3.45392 3.46293 3.47229 3.48290 3.48557 3.49547 3.50139 3.50946 3.51457 3.52139 3.52935 3.53606 3.55380 3.55638 3.56121 3.56413 3.58035 3.59262 3.59321 3.60389 3.61034 3.62204 3.62997 3.63830 3.65385 3.66690 3.68131 3.69116 3.70134 3.71078 3.71803 3.72683 3.73147 3.74226 3.74825 3.75777 3.76048 3.77606 3.78507 3.79650 3.80573 3.81931 3.82926 3.83861 3.84596 3.85987 3.86330 3.87457 3.88821 3.89131 3.89419 3.91482 3.92525 3.93317 3.95384 3.95813 3.96499 3.97196 3.98507 3.98899 4.01438 4.01884 4.02954 4.03602 4.04216 4.05320 4.05992 4.06818 4.07666 4.08629 4.09393 4.10547 4.11068 4.12412 4.12864 4.14673 4.15213 4.15869 4.16752 4.17550 4.18668 4.19156 4.21084 4.22121 4.22864 4.23458 4.24748 4.25860 4.26227 4.26905 4.28282 4.28507 4.30369 4.30541 4.31136 4.32305 4.33586 4.33836 4.34554 4.35913 4.36878 4.37479 4.37695 4.38673 4.41105 4.41613 4.42463 4.43667 4.45305 4.45788 4.47738 4.48783 4.49351 4.50857 4.51921 4.52634 4.53238 4.54155 4.56026 4.58269 4.60364 4.61494 4.64116 4.64679 4.67576 4.69566 4.70873 4.72497 4.72818 4.74718 4.75215 4.76300 4.77002 4.78496 4.78717 4.80768 4.82658 4.83808 4.84693 4.85640 4.86466 4.86807 4.88137 4.89553 4.90372 4.93169 4.94082 4.96317 4.97465 4.97749 5.00086 5.00783 5.03095 5.05049 5.06436 5.06778 5.08324 5.08931 5.10957 5.12505 5.12863 5.14149 5.14733 5.15694 5.16846 5.18544 5.19370 5.20259 5.21223 5.24137 5.25213 5.28533 5.29347 5.31269 5.32580 5.34618 5.34692 5.36677 5.38090 5.39370 5.40384 5.40777 5.43306 5.44322 5.45322 5.47557 5.48078 5.49108 5.51394 5.52825 5.56594 5.57659 5.60854 5.61416 5.64811 5.66201 5.66850 5.67389 5.69171 5.69449 5.70325 5.71320 5.72128 5.72871 5.76398 5.78435 5.80902 5.81706 5.82899 5.87541 5.93370 5.96625 6.05826 6.15905 6.18956 6.44810 6.49546 6.84726 6.94629 7.18581 7.38908 7.52157 22.73953 22.95876 23.16624 23.20441 23.30890 23.42297 23.46758 23.47501 23.54458 23.57931 23.70010 23.70756 44.40377 1-A. -2.5870 -0.2700 0.3543 2.6251 -85.4875 -75.3240 -77.3347 -0.8276 4.2493 -1.7257 -6.1055 4.0581 2.0474 -0.8276 4.2493 -1.7257 -25.4493 -3.0628 -1.8945 12.7003 1.4864 0.6166 1.8867 1.0550 1.2598 -1.7063 -3026.7802 -680.5828 -298.2575 -6.3309 68.0188 4.6899 -10.7048 4.9967 -1.3599 -539.6739 -520.5915 -156.1550 -0.6943 -10.4054 -5.9630 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= 703 703 703 703 703 MxSgAt= 29 MxSgA2= 29. 1 open 1 0 1 -541.632444431205 -541.743895547883 -0.111451116678 -541.833506928722 -0.089611380839 -541.893865513701 -0.060358584979 -541.899399325230 -0.005533811529 -541.902677190874 -0.003277865644 -541.904086437406 -0.001409246532 -541.905159802719 -0.001073365313 -541.906109703275 -0.000949900556 -541.906674797912 -0.000565094637 -541.907145809790 -0.000471011878 -541.907337585364 -0.000191775574 -541.907436874025 -0.000099288661 -541.907479284383 -0.000042410358 -541.907487605826 -0.000008321443 -541.907479658824 0.000007947002 -541.907490666521 -0.000011007697 -541.907490726238 -0.000000059717 -541.907490769623 -0.000000043385 -541.907490784878 -0.000000015255 -541.907490793052 -0.000000008174 -541.907490801945 -0.000000008892 -541.907490804141 -0.000000002196 -541.907490805825 -0.000000001684 -541.907490807262 -0.000000001437 -541.907490808504 -0.000000001242 -541.907490809973 -0.000000001469 -541.907490810678 -0.000000000705 -541.907490810849 -0.000000000171 -541.907490810863 -0.000000000014 -541.907490811 30 0.0000 5.388523848985e+02 -2.849911821980e+03 9.738250511370e+02 Using DIIS extrapolation, IDIIS= 1040. NGot= 64424509440 LenX= 64423454754 LenY= 64422952782 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. 0.0000 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 C C C C C C C H H H H H H H H H H C C C C H H H H C H H O 13 13 13 13 13 13 13 1 1 1 1 1 1 1 1 1 1 13 13 13 13 1 1 1 1 13 1 1 17 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00004 -0.00024 -0.00006 -0.00000 0.00002 -0.00000 0.00003 -0.00003 -0.00000 -0.00000 -0.00002 -0.00002 0.00001 0.00001 -0.00002 -0.00002 -0.00002 -0.00036 0.00024 0.00001 -0.00004 -0.00012 -0.00008 0.00006 0.00002 -0.00004 0.00001 -0.00000 -0.00004 -0.00001 -0.00009 -0.00002 -0.00000 0.00001 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 -0.00001 -0.00001 0.00001 0.00000 -0.00001 -0.00001 -0.00001 -0.00013 0.00009 0.00000 -0.00001 -0.00004 -0.00003 0.00002 0.00001 -0.00001 0.00001 -0.00000 -0.00001 -0.00001 -0.00008 -0.00002 -0.00000 0.00001 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00000 -0.00001 -0.00001 -0.00001 -0.00012 0.00008 0.00000 -0.00001 -0.00004 -0.00003 0.00002 0.00001 -0.00001 0.00000 -0.00000 -0.00001 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 -0.000000 0.000000 -0.000000 0.000000 -0.000001 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000000 -0.000001 -0.000000 0.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000000 -0.000000 0.000001 0.000000 -0.000000 0.000000 -0.000000 0.000001 -0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000000 -0.000000 0.000000 0.000000 0.000001 -0.000001 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.000000 0.000001 0.000000 -0.000000 0.000000 -0.000000 0.000000 -0.000000 0.000000 0.000000 -0.000000 -0.000000 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 0.000000 0.000000 -0.000000 0.000000 -0.000000 -0.000000 -0.000000 0.000000 0.000000 -0.000000 -0.000000 0.000000 0.000000 -0.000000 -0.000000 0.000000 -0.000000 0.000001 -0.000001 -0.000000 0.000000 -0.000000 0.000000 -0.000000 0.000000 -0.000000 0.000000 0.000000 -0.000001 0.000000 -0.000000 0.000000 0.000000 0.000001 0.000000 0.000000 -0.000000 0.000000 0.000000 -0.000000 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000002 -0.000002 0.000000 0.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000000 0.000000 0.000000 0.000000 -0.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.000002 -0.000000 0.000000 -0.000000 0.000000 -0.000000 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.7596 -0.4129 -0.5025 0.3357 -0.4129 0.8467 0.5571 0.8118 0.175 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 1 C 13 0.4031 -0.1054 0.9091 -0.0382 0.9905 0.1318 0.9144 0.0878 -0.3952 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 2 C 13 -0.5616 -0.585 0.5851 0.674 0.0867 0.7337 -0.4799 0.8064 0.3455 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 3 C 13 -0.0155 0.9231 -0.3842 -0.5539 0.312 0.7719 0.8324 0.2248 0.5065 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 4 C 13 0.7728 0.1325 -0.6207 0.6345 -0.1381 0.7605 -0.0151 0.9815 0.1908 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 5 C 13 -0.0232 0.7061 0.7077 0.587 0.5827 -0.5621 0.8093 -0.4024 0.428 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 6 C 13 -0.4453 -0.2832 0.8494 0.3778 0.8006 0.465 0.8118 -0.528 0.2495 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 7 C 13 -0.6669 0.708 0.2322 0.3403 0.0123 0.9402 0.6628 0.7061 -0.2492 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 8 H 1 -0.5052 0.2071 0.8378 -0.5743 0.6439 -0.5055 0.6442 0.7365 0.2063 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 9 H 1 -0.3245 -0.5687 0.7558 -0.0931 0.8144 0.5727 0.9413 -0.1155 0.3173 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 10 H 1 0.117 0.9372 -0.3285 0.1465 0.3108 0.9391 0.9823 -0.158 -0.101 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 11 H 1 -0.2117 0.9419 0.2607 0.0909 -0.2466 0.9648 0.9731 0.2279 -0.0334 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 12 H 1 -0.4816 0.6333 -0.6058 0.3634 0.7733 0.5196 0.7975 0.03 -0.6025 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 13 H 1 0.498 0.3336 0.8005 -0.6125 0.7888 0.0523 0.6139 0.5163 -0.5971 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 14 H 1 0.2074 0.9708 0.1202 -3.0E-4 -0.1228 0.9924 0.9783 -0.2058 -0.0252 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 15 H 1 0.7366 -0.4766 0.4798 -0.4841 0.1238 0.8662 0.4723 0.8703 0.1395 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 16 H 1 0.5315 0.1519 0.8333 0.8471 -0.0989 -0.5222 0.003 0.9834 -0.1813 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 17 H 1 0.8097 -0.1965 -0.553 -0.081 0.8958 -0.437 0.5812 0.3986 0.7094 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 18 C 13 0.3374 0.8691 -0.3616 0.7785 -0.0416 0.6263 -0.5293 0.4928 0.6906 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 19 C 13 -0.0788 0.8863 0.4564 0.8197 0.3182 -0.4764 0.5674 -0.3366 0.7515 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 20 C 13 -0.0713 0.9096 -0.4093 -0.4046 0.3487 0.8454 0.9117 0.2258 0.3432 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 21 C 13 0.7882 0.6089 0.0891 -0.562 0.6532 0.5074 0.2508 -0.45 0.8571 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 22 H 1 -0.1767 0.836 -0.5195 -0.2041 0.4852 0.8502 0.9629 0.2563 0.0849 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 23 H 1 0.6757 0.4719 -0.5663 -0.1522 0.841 0.5192 0.7213 -0.2646 0.6401 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 24 H 1 0.0043 -0.6504 0.7596 -0.2703 0.7305 0.6271 0.9628 0.208 0.1726 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 25 H 1 0.9564 0.0017 -0.2922 0.257 0.4705 0.8441 -0.1389 0.8824 -0.4496 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 26 C 13 0.9981 -0.0396 -0.0479 0.0617 0.5356 0.8422 0.0077 0.8436 -0.537 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 27 H 1 0.8546 -0.0772 -0.5135 0.5184 0.0704 0.8522 0.0296 0.9945 -0.1002 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 28 H 1 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 C C C C C C C H H H H H H H H H H C C C C H H H H C H H O 13 13 13 13 13 13 13 1 1 1 1 1 1 1 1 1 1 13 13 13 13 1 1 1 1 13 1 1 17 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00004 -0.00024 -0.00006 -0.00000 0.00002 -0.00000 0.00003 -0.00003 -0.00000 -0.00000 -0.00002 -0.00002 0.00001 0.00001 -0.00002 -0.00002 -0.00002 -0.00036 0.00024 0.00001 -0.00004 -0.00012 -0.00008 0.00006 0.00002 -0.00004 0.00001 -0.00000 -0.00004 -0.00001 -0.00009 -0.00002 -0.00000 0.00001 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 -0.00001 -0.00001 0.00001 0.00000 -0.00001 -0.00001 -0.00001 -0.00013 0.00009 0.00000 -0.00001 -0.00004 -0.00003 0.00002 0.00001 -0.00001 0.00001 -0.00000 -0.00001 -0.00001 -0.00008 -0.00002 -0.00000 0.00001 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00000 -0.00001 -0.00001 -0.00001 -0.00012 0.00008 0.00000 -0.00001 -0.00004 -0.00003 0.00002 0.00001 -0.00001 0.00000 -0.00000 -0.00001 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 -0.000000 0.000000 -0.000000 0.000000 -0.000001 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000000 -0.000001 -0.000000 0.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000000 -0.000000 0.000001 0.000000 -0.000000 0.000000 -0.000000 0.000001 -0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000000 -0.000000 0.000000 0.000000 0.000001 -0.000001 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.000000 0.000001 0.000000 -0.000000 0.000000 -0.000000 0.000000 -0.000000 0.000000 0.000000 -0.000000 -0.000000 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 0.000000 0.000000 -0.000000 0.000000 -0.000000 -0.000000 -0.000000 0.000000 0.000000 -0.000000 -0.000000 0.000000 0.000000 -0.000000 -0.000000 0.000000 -0.000000 0.000001 -0.000001 -0.000000 0.000000 -0.000000 0.000000 -0.000000 0.000000 -0.000000 0.000000 0.000000 -0.000001 0.000000 -0.000000 0.000000 0.000000 0.000001 0.000000 0.000000 -0.000000 0.000000 0.000000 -0.000000 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000002 -0.000002 0.000000 0.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000000 0.000000 0.000000 0.000000 -0.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.000002 -0.000000 0.000000 -0.000000 0.000000 -0.000000 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.7596 -0.4129 -0.5025 0.3357 -0.4129 0.8467 0.5571 0.8118 0.175 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 1 C 13 0.4031 -0.1054 0.9091 -0.0382 0.9905 0.1318 0.9144 0.0878 -0.3952 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 2 C 13 -0.5616 -0.585 0.5851 0.674 0.0867 0.7337 -0.4799 0.8064 0.3455 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 3 C 13 -0.0155 0.9231 -0.3842 -0.5539 0.312 0.7719 0.8324 0.2248 0.5065 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 4 C 13 0.7728 0.1325 -0.6207 0.6345 -0.1381 0.7605 -0.0151 0.9815 0.1908 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 5 C 13 -0.0232 0.7061 0.7077 0.587 0.5827 -0.5621 0.8093 -0.4024 0.428 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 6 C 13 -0.4453 -0.2832 0.8494 0.3778 0.8006 0.465 0.8118 -0.528 0.2495 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 7 C 13 -0.6669 0.708 0.2322 0.3403 0.0123 0.9402 0.6628 0.7061 -0.2492 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 8 H 1 -0.5052 0.2071 0.8378 -0.5743 0.6439 -0.5055 0.6442 0.7365 0.2063 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 9 H 1 -0.3245 -0.5687 0.7558 -0.0931 0.8144 0.5727 0.9413 -0.1155 0.3173 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 10 H 1 0.117 0.9372 -0.3285 0.1465 0.3108 0.9391 0.9823 -0.158 -0.101 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 11 H 1 -0.2117 0.9419 0.2607 0.0909 -0.2466 0.9648 0.9731 0.2279 -0.0334 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 12 H 1 -0.4816 0.6333 -0.6058 0.3634 0.7733 0.5196 0.7975 0.03 -0.6025 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 13 H 1 0.498 0.3336 0.8005 -0.6125 0.7888 0.0523 0.6139 0.5163 -0.5971 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 14 H 1 0.2074 0.9708 0.1202 -3.0E-4 -0.1228 0.9924 0.9783 -0.2058 -0.0252 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 15 H 1 0.7366 -0.4766 0.4798 -0.4841 0.1238 0.8662 0.4723 0.8703 0.1395 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 16 H 1 0.5315 0.1519 0.8333 0.8471 -0.0989 -0.5222 0.003 0.9834 -0.1813 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 17 H 1 0.8097 -0.1965 -0.553 -0.081 0.8958 -0.437 0.5812 0.3986 0.7094 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 18 C 13 0.3374 0.8691 -0.3616 0.7785 -0.0416 0.6263 -0.5293 0.4928 0.6906 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 19 C 13 -0.0788 0.8863 0.4564 0.8197 0.3182 -0.4764 0.5674 -0.3366 0.7515 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 20 C 13 -0.0713 0.9096 -0.4093 -0.4046 0.3487 0.8454 0.9117 0.2258 0.3432 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 21 C 13 0.7882 0.6089 0.0891 -0.562 0.6532 0.5074 0.2508 -0.45 0.8571 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 22 H 1 -0.1767 0.836 -0.5195 -0.2041 0.4852 0.8502 0.9629 0.2563 0.0849 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 23 H 1 0.6757 0.4719 -0.5663 -0.1522 0.841 0.5192 0.7213 -0.2646 0.6401 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 24 H 1 0.0043 -0.6504 0.7596 -0.2703 0.7305 0.6271 0.9628 0.208 0.1726 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 25 H 1 0.9564 0.0017 -0.2922 0.257 0.4705 0.8441 -0.1389 0.8824 -0.4496 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 26 C 13 0.9981 -0.0396 -0.0479 0.0617 0.5356 0.8422 0.0077 0.8436 -0.537 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 -0.0 0.0 0.0 27 H 1 0.8546 -0.0772 -0.5135 0.5184 0.0704 0.8522 0.0296 0.9945 -0.1002 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 -0.0 -0.0 0.0 28 H 1 PT25491.100S Sat Jun 20 05:26:44 2026 -19.24222 -10.33043 -10.32805 -10.31191 -10.30579 -10.30500 -10.29629 -10.29619 -10.29402 -10.29395 -10.29081 -10.27999 -10.27008 -1.12920 -1.03323 -0.89959 -0.87044 -0.85209 -0.82790 -0.78157 -0.72751 -0.71027 -0.70421 -0.67541 -0.59472 -0.59040 -0.58134 -0.56876 -0.55943 -0.55612 -0.54469 -0.51532 -0.50656 -0.49922 -0.48806 -0.48044 -0.47939 -0.47487 -0.45041 -0.44206 -0.42118 -0.40051 -0.39024 -0.38365 -0.34738 -0.33636 -0.31604 -0.24615 0.01269 0.10138 0.10981 0.11830 0.12428 0.13392 0.14287 0.14769 0.15278 0.16168 0.16622 0.17151 0.17337 0.18278 0.18574 0.19370 0.19604 0.21438 0.21956 0.22534 0.23616 0.24811 0.24966 0.25574 0.25970 0.26233 0.27185 0.27312 0.27895 0.29250 0.29831 0.29970 0.30891 0.31228 0.33314 0.33681 0.35035 0.35081 0.36428 0.36683 0.37118 0.38321 0.39229 0.39423 0.40229 0.40809 0.41633 0.42029 0.42880 0.44483 0.45544 0.45681 0.46332 0.46623 0.48012 0.48281 0.49074 0.49167 0.49643 0.50404 0.50720 0.50923 0.51177 0.51776 0.52110 0.52622 0.53388 0.53902 0.54179 0.54578 0.55217 0.55957 0.56050 0.56555 0.57161 0.57585 0.58091 0.59193 0.60405 0.61286 0.62316 0.63585 0.64191 0.65433 0.66657 0.67777 0.69005 0.69421 0.70258 0.71069 0.72908 0.73509 0.74184 0.75238 0.76510 0.77446 0.79144 0.80268 0.81607 0.82565 0.82862 0.84246 0.84683 0.85981 0.87084 0.89062 0.89659 0.90830 0.91923 0.92680 0.94302 0.95369 0.95690 0.96630 0.97277 0.98128 0.99767 1.00156 1.01379 1.02214 1.02513 1.03256 1.04305 1.04900 1.06372 1.06644 1.08076 1.09156 1.09786 1.10322 1.11144 1.13127 1.13224 1.14417 1.15352 1.15660 1.16103 1.16861 1.17478 1.18122 1.18472 1.19094 1.19591 1.20399 1.21017 1.21535 1.22071 1.23314 1.24872 1.25138 1.26551 1.26909 1.27571 1.27929 1.28722 1.29422 1.31159 1.32389 1.33023 1.33214 1.35170 1.35759 1.37861 1.38519 1.38877 1.39525 1.40737 1.41343 1.42737 1.42993 1.44351 1.45018 1.45315 1.46768 1.47088 1.48282 1.49236 1.50109 1.51089 1.51488 1.51584 1.52130 1.52899 1.53353 1.53863 1.54782 1.55069 1.56172 1.57084 1.57896 1.58813 1.59864 1.61501 1.61529 1.62473 1.63059 1.64819 1.67309 1.67371 1.68538 1.70136 1.71541 1.71777 1.72632 1.72974 1.74683 1.76554 1.76851 1.78264 1.79674 1.80835 1.83084 1.83580 1.84729 1.87327 1.88797 1.89660 1.92439 1.93344 1.94897 1.95428 1.97502 1.99348 2.01014 2.03494 2.05188 2.07201 2.08802 2.09564 2.11827 2.14009 2.15359 2.18028 2.18520 2.22066 2.22978 2.24251 2.26587 2.26829 2.29140 2.31544 2.34700 2.36679 2.40356 2.40603 2.42506 2.44002 2.45904 2.46501 2.47596 2.50113 2.51597 2.52521 2.54740 2.55865 2.58209 2.60000 2.61495 2.62489 2.63130 2.63770 2.64799 2.66142 2.66322 2.68529 2.68840 2.70261 2.71476 2.72508 2.74774 2.75731 2.76924 2.77037 2.79085 2.79636 2.80803 2.81509 2.83081 2.83917 2.85920 2.86611 2.87253 2.88258 2.89295 2.89874 2.90668 2.92195 2.93062 2.93914 2.95368 2.96306 2.97162 2.97529 2.98064 2.99304 3.00376 3.00935 3.02253 3.04071 3.04894 3.05498 3.06125 3.07469 3.08530 3.09060 3.09431 3.10515 3.10688 3.11814 3.13246 3.15316 3.15893 3.16828 3.17382 3.19092 3.19379 3.19922 3.22137 3.22845 3.23665 3.24654 3.25365 3.25824 3.26701 3.27342 3.28200 3.28832 3.30078 3.30593 3.31354 3.32010 3.32733 3.32828 3.33659 3.36014 3.36303 3.37271 3.38506 3.39247 3.40316 3.41446 3.42003 3.42892 3.43217 3.45392 3.46293 3.47229 3.48290 3.48557 3.49547 3.50139 3.50946 3.51457 3.52139 3.52935 3.53606 3.55380 3.55638 3.56121 3.56413 3.58035 3.59262 3.59321 3.60389 3.61034 3.62204 3.62997 3.63830 3.65385 3.66690 3.68131 3.69116 3.70134 3.71078 3.71803 3.72683 3.73147 3.74226 3.74825 3.75777 3.76048 3.77606 3.78507 3.79650 3.80573 3.81931 3.82926 3.83861 3.84596 3.85987 3.86330 3.87457 3.88821 3.89131 3.89419 3.91482 3.92525 3.93317 3.95384 3.95813 3.96499 3.97196 3.98507 3.98899 4.01438 4.01884 4.02954 4.03602 4.04216 4.05320 4.05992 4.06818 4.07666 4.08629 4.09393 4.10547 4.11068 4.12412 4.12864 4.14673 4.15213 4.15869 4.16752 4.17550 4.18668 4.19156 4.21084 4.22121 4.22864 4.23458 4.24748 4.25860 4.26227 4.26905 4.28282 4.28507 4.30369 4.30541 4.31136 4.32305 4.33586 4.33836 4.34554 4.35913 4.36878 4.37479 4.37695 4.38673 4.41105 4.41613 4.42463 4.43667 4.45305 4.45788 4.47738 4.48783 4.49351 4.50857 4.51921 4.52634 4.53238 4.54155 4.56026 4.58269 4.60364 4.61494 4.64116 4.64679 4.67576 4.69566 4.70873 4.72497 4.72818 4.74718 4.75215 4.76300 4.77002 4.78496 4.78717 4.80768 4.82658 4.83808 4.84693 4.85640 4.86466 4.86807 4.88137 4.89553 4.90372 4.93169 4.94082 4.96317 4.97465 4.97749 5.00086 5.00783 5.03095 5.05049 5.06436 5.06778 5.08324 5.08931 5.10957 5.12505 5.12863 5.14149 5.14733 5.15694 5.16846 5.18544 5.19370 5.20259 5.21223 5.24137 5.25213 5.28533 5.29347 5.31269 5.32580 5.34618 5.34692 5.36677 5.38090 5.39370 5.40384 5.40777 5.43306 5.44322 5.45322 5.47557 5.48078 5.49108 5.51394 5.52825 5.56594 5.57659 5.60854 5.61416 5.64811 5.66201 5.66850 5.67389 5.69171 5.69449 5.70325 5.71320 5.72128 5.72871 5.76398 5.78435 5.80902 5.81706 5.82899 5.87541 5.93370 5.96625 6.05826 6.15905 6.18956 6.44810 6.49546 6.84726 6.94629 7.18581 7.38908 7.52157 22.73953 22.95876 23.16624 23.20441 23.30890 23.42297 23.46758 23.47501 23.54458 23.57931 23.70010 23.70756 44.40377 -19.24222 -10.33043 -10.32805 -10.31191 -10.30579 -10.30500 -10.29629 -10.29619 -10.29402 -10.29395 -10.29081 -10.27999 -10.27008 -1.12920 -1.03323 -0.89959 -0.87044 -0.85209 -0.82790 -0.78157 -0.72751 -0.71027 -0.70421 -0.67541 -0.59472 -0.59040 -0.58134 -0.56876 -0.55943 -0.55612 -0.54469 -0.51532 -0.50656 -0.49922 -0.48806 -0.48044 -0.47939 -0.47487 -0.45041 -0.44206 -0.42118 -0.40051 -0.39024 -0.38365 -0.34738 -0.33636 -0.31604 -0.24615 0.01269 0.10138 0.10981 0.11830 0.12428 0.13392 0.14287 0.14769 0.15278 0.16168 0.16622 0.17151 0.17337 0.18278 0.18574 0.19370 0.19604 0.21438 0.21956 0.22534 0.23616 0.24811 0.24966 0.25574 0.25970 0.26233 0.27185 0.27312 0.27895 0.29250 0.29831 0.29970 0.30891 0.31228 0.33314 0.33681 0.35035 0.35081 0.36428 0.36683 0.37118 0.38321 0.39229 0.39423 0.40229 0.40809 0.41633 0.42029 0.42880 0.44483 0.45544 0.45681 0.46332 0.46623 0.48012 0.48281 0.49074 0.49167 0.49643 0.50404 0.50720 0.50923 0.51177 0.51776 0.52110 0.52622 0.53388 0.53902 0.54179 0.54578 0.55217 0.55957 0.56050 0.56555 0.57161 0.57585 0.58091 0.59193 0.60405 0.61286 0.62316 0.63585 0.64191 0.65433 0.66657 0.67777 0.69005 0.69421 0.70258 0.71069 0.72908 0.73509 0.74184 0.75238 0.76510 0.77446 0.79144 0.80268 0.81607 0.82565 0.82862 0.84246 0.84683 0.85981 0.87084 0.89062 0.89659 0.90830 0.91923 0.92680 0.94302 0.95369 0.95690 0.96630 0.97277 0.98128 0.99767 1.00156 1.01379 1.02214 1.02513 1.03256 1.04305 1.04900 1.06372 1.06644 1.08076 1.09156 1.09786 1.10322 1.11144 1.13127 1.13224 1.14417 1.15352 1.15660 1.16103 1.16861 1.17478 1.18122 1.18472 1.19094 1.19591 1.20399 1.21017 1.21535 1.22071 1.23314 1.24872 1.25138 1.26551 1.26909 1.27571 1.27929 1.28722 1.29422 1.31159 1.32389 1.33023 1.33214 1.35170 1.35759 1.37861 1.38519 1.38877 1.39525 1.40737 1.41343 1.42737 1.42993 1.44351 1.45018 1.45315 1.46768 1.47088 1.48282 1.49236 1.50109 1.51089 1.51488 1.51584 1.52130 1.52899 1.53353 1.53863 1.54782 1.55069 1.56172 1.57084 1.57896 1.58813 1.59864 1.61501 1.61529 1.62473 1.63059 1.64819 1.67309 1.67371 1.68538 1.70136 1.71541 1.71777 1.72632 1.72974 1.74683 1.76554 1.76851 1.78264 1.79674 1.80835 1.83084 1.83580 1.84729 1.87327 1.88797 1.89660 1.92439 1.93344 1.94897 1.95428 1.97502 1.99348 2.01014 2.03494 2.05188 2.07201 2.08802 2.09564 2.11827 2.14009 2.15359 2.18028 2.18520 2.22066 2.22978 2.24251 2.26587 2.26829 2.29140 2.31544 2.34700 2.36679 2.40356 2.40603 2.42506 2.44002 2.45904 2.46501 2.47596 2.50113 2.51597 2.52521 2.54740 2.55865 2.58209 2.60000 2.61495 2.62489 2.63130 2.63770 2.64799 2.66142 2.66322 2.68529 2.68840 2.70261 2.71476 2.72508 2.74774 2.75731 2.76924 2.77037 2.79085 2.79636 2.80803 2.81509 2.83081 2.83917 2.85920 2.86611 2.87253 2.88258 2.89295 2.89874 2.90668 2.92195 2.93062 2.93914 2.95368 2.96306 2.97162 2.97529 2.98064 2.99304 3.00376 3.00935 3.02253 3.04071 3.04894 3.05498 3.06125 3.07469 3.08530 3.09060 3.09431 3.10515 3.10688 3.11814 3.13246 3.15316 3.15893 3.16828 3.17382 3.19092 3.19379 3.19922 3.22137 3.22845 3.23665 3.24654 3.25365 3.25824 3.26701 3.27342 3.28200 3.28832 3.30078 3.30593 3.31354 3.32010 3.32733 3.32828 3.33659 3.36014 3.36303 3.37271 3.38506 3.39247 3.40316 3.41446 3.42003 3.42892 3.43217 3.45392 3.46293 3.47229 3.48290 3.48557 3.49547 3.50139 3.50946 3.51457 3.52139 3.52935 3.53606 3.55380 3.55638 3.56121 3.56413 3.58035 3.59262 3.59321 3.60389 3.61034 3.62204 3.62997 3.63830 3.65385 3.66690 3.68131 3.69116 3.70134 3.71078 3.71803 3.72683 3.73147 3.74226 3.74825 3.75777 3.76048 3.77606 3.78507 3.79650 3.80573 3.81931 3.82926 3.83861 3.84596 3.85987 3.86330 3.87457 3.88821 3.89131 3.89419 3.91482 3.92525 3.93317 3.95384 3.95813 3.96499 3.97196 3.98507 3.98899 4.01438 4.01884 4.02954 4.03602 4.04216 4.05320 4.05992 4.06818 4.07666 4.08629 4.09393 4.10547 4.11068 4.12412 4.12864 4.14673 4.15213 4.15869 4.16752 4.17550 4.18668 4.19156 4.21084 4.22121 4.22864 4.23458 4.24748 4.25860 4.26227 4.26905 4.28282 4.28507 4.30369 4.30541 4.31136 4.32305 4.33586 4.33836 4.34554 4.35913 4.36878 4.37479 4.37695 4.38673 4.41105 4.41613 4.42463 4.43667 4.45305 4.45788 4.47738 4.48783 4.49351 4.50857 4.51921 4.52634 4.53238 4.54155 4.56026 4.58269 4.60364 4.61494 4.64116 4.64679 4.67576 4.69566 4.70873 4.72497 4.72818 4.74718 4.75215 4.76300 4.77002 4.78496 4.78717 4.80768 4.82658 4.83808 4.84693 4.85640 4.86466 4.86807 4.88137 4.89553 4.90372 4.93169 4.94082 4.96317 4.97465 4.97749 5.00086 5.00783 5.03095 5.05049 5.06436 5.06778 5.08324 5.08931 5.10957 5.12505 5.12863 5.14149 5.14733 5.15694 5.16846 5.18544 5.19370 5.20259 5.21223 5.24137 5.25213 5.28533 5.29347 5.31269 5.32580 5.34618 5.34692 5.36677 5.38090 5.39370 5.40384 5.40777 5.43306 5.44322 5.45322 5.47557 5.48078 5.49108 5.51394 5.52825 5.56594 5.57659 5.60854 5.61416 5.64811 5.66201 5.66850 5.67389 5.69171 5.69449 5.70325 5.71320 5.72128 5.72871 5.76398 5.78435 5.80902 5.81706 5.82899 5.87541 5.93370 5.96625 6.05826 6.15905 6.18956 6.44810 6.49546 6.84726 6.94629 7.18581 7.38908 7.52157 22.73953 22.95876 23.16624 23.20441 23.30890 23.42297 23.46758 23.47501 23.54458 23.57931 23.70010 23.70756 44.40377 1-A. -2.5870 -0.2700 0.3543 2.6251 -85.4875 -75.3240 -77.3347 -0.8276 4.2493 -1.7257 -6.1055 4.0581 2.0474 -0.8276 4.2493 -1.7257 -25.4493 -3.0628 -1.8945 12.7003 1.4864 0.6166 1.8867 1.0550 1.2598 -1.7063 -3026.7802 -680.5828 -298.2575 -6.3309 68.0188 4.6899 -10.7048 4.9967 -1.3599 -539.6739 -520.5915 -156.1550 -0.6943 -10.4054 -5.9630 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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=-541.9074908 S2=0. S2-1=0. S2A=0. RMSD=6.450e-09 Dipole=-1.0178057,-0.1062297,0.1393753 Quadrupole=-4.539264,3.0170829,1.5221812,-0.6153034,3.1592461,-1.2830067 PG=C01 [X(C12H16O1)] 0 -1.499768 -1.192776 -0.935859 0 -1.181336 0.003674 -0.019805 0 -1.52077 1.451999 -0.41503 0 -2.982499 1.343167 0.087322 0 -2.751378 -0.109098 0.50307 0 -2.963247 -1.296612 -0.43757 0 -1.594452 -0.277905 1.397331 0 -0.845608 -2.060089 -0.745066 0 -1.412563 -0.932 -1.99952 0 -1.441696 1.611765 -1.499363 0 -0.871831 2.188926 0.088671 0 -3.271402 2.018026 0.908224 0 -3.729022 1.436242 -0.712566 0 -3.707618 -1.084427 -1.216625 0 -3.248253 -2.235686 0.062491 0 -1.384677 -1.286099 1.76759 0 -1.388497 0.514707 2.122802 0 1.069984 0.034734 -0.012468 0 1.631919 1.194567 -0.352627 0 1.612468 -1.110768 0.38534 0 3.043051 1.189669 0.201058 0 1.351387 1.810312 -1.209842 0 1.186223 -1.798051 1.12009 0 3.043515 1.215839 1.30679 0 3.646038 2.027376 -0.174291 0 3.083656 -1.225345 0.001809 0 3.584867 -1.709196 0.86389 0 3.260227 -1.862616 -0.880805 0 3.692892 0.014142 -0.277237