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:2.5352,1.3849,.575;2.6603,-.9545,-.2611;3.4578,.3858,-.2317;2.3509,2.3179,.0236;2.9777,1.6405,1.5503;3.6713,.7568,-1.2464;4.4245,.2398,.2737;1.8967,-.8604,1.0711;1.1603,-1.6625,1.2089;2.5484,-.8171,1.9571;1.458,-.8522,-1.2389;.8972,-1.8041,-1.2643;1.7505,-.6198,-2.275;3.3014,-1.8364,-.4177;1.3118,.4943,.6775;.6945,.322,-.6014;.6422,1.2261,-1.2196;-1.356,.0164,-.5449;-1.7175,1.4366,-.0809;-3.2212,1.2396,.1679;-3.2656,-.1481,-.4402;-2.9825,-1.3241,.4677;-1.463,-1.0966,.5092;-1.2184,-.2328,-1.5994;-1.1179,1.7313,.798;-1.5211,2.1648,-.882;-3.858,1.9679,-.3534;-3.5041,1.2514,1.2341;-3.8508,-.3023,-1.3542;-3.4968,-1.2872,1.4439;-3.2441,-2.2776,-.0134;-.8764,-1.9873,.2423;-1.0885,-.7307,1.4789; /opt/g16/c02-avx2/g16/g16 /opt/g16/c02-avx2/g16/l1.exe "/fast/scratch/foo/job_744_ABO_G-TS_stableSP/Gau-60324.inp" -scrdir="/fast/scratch/foo/job_744_ABO_G-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 768 831.7713019332 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 -0.0290141287 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:2.5352,1.385,.575;2.6603,-.9545,-.2611;3.4578,.3858,-.2317;2.3509,2.3179,.0236;2.9777,1.6405,1.5504;3.6714,.7568,-1.2464;4.4245,.2398,.2737;1.8967,-.8604,1.0711;1.1604,-1.6625,1.2089;2.5484,-.8171,1.9571;1.458,-.8522,-1.239;.8972,-1.8041,-1.2643;1.7505,-.6198,-2.275;3.3014,-1.8364,-.4177;1.3118,.4943,.6776;.6945,.322,-.6014;.6422,1.2261,-1.2196;-1.356,.0164,-.5449;-1.7175,1.4366,-.0809;-3.2212,1.2396,.1679;-3.2656,-.1481,-.4402;-2.9825,-1.3241,.4676;-1.463,-1.0966,.5092;-1.2184,-.2328,-1.5994;-1.1179,1.7313,.798;-1.5211,2.1648,-.882;-3.858,1.9679,-.3534;-3.5041,1.2514,1.2341;-3.8508,-.3023,-1.3542;-3.4968,-1.2872,1.4439;-3.2441,-2.2776,-.0134;-.8764,-1.9873,.2423;-1.0885,-.7307,1.4789; 0.000000 2.487539 0.000000 1.581219 1.559874 0.000000 1.099286 3.299339 2.241335 0.000000 1.101109 3.180582 2.231721 1.784071 0.000000 2.236697 2.218446 1.101277 2.407001 3.013961 0.000000 2.229742 2.196559 1.100630 2.946402 2.384369 1.773482 0.000000 2.386461 1.538400 2.384748 3.377110 2.766269 3.336927 2.869844 0.000000 3.402803 2.216349 3.398399 4.320414 3.785330 4.264581 3.892090 1.097580 0.000000 2.599888 2.225238 2.657957 3.688593 2.527720 3.741701 2.733278 1.100664 1.789120 0.000000 3.075002 1.553140 2.558568 3.527160 4.037714 2.736389 3.504422 2.351342 2.595637 3.377075 0.000000 4.029364 2.199232 3.523925 4.556574 4.910740 3.775441 4.357146 2.709908 2.491226 3.752000 1.105047 0.000000 3.571719 2.235102 2.846243 3.778091 4.609576 2.577358 3.792817 3.357906 3.684198 4.311141 1.101340 1.775396 0.000000 3.456774 1.101406 2.235398 4.284416 4.008283 2.747381 2.459674 2.267591 2.694447 2.691696 2.245233 2.549050 2.708336 0.000000 1.516740 2.190560 2.333168 2.198394 2.202402 3.055789 3.149105 1.527083 2.226414 2.210401 2.346786 3.037282 3.186082 3.254177 0.000000 2.429417 2.368481 2.788633 2.667950 3.403158 3.076799 3.832206 2.374970 2.726251 3.358588 1.538852 2.236185 2.191530 3.389380 1.430583 0.000000 2.613211 3.121963 3.099886 2.378374 3.646687 3.065371 4.184314 3.342798 3.809240 4.230738 2.232812 3.041266 2.397828 4.134370 2.140807 1.096541 0.000000 4.274141 4.141725 4.838044 4.400068 5.080168 5.129727 5.842457 3.736335 3.496648 4.711523 3.025657 2.984729 3.612175 5.013952 2.973198 2.073875 2.431352 0.000000 4.303353 4.991586 5.283098 4.164080 4.974709 5.555251 6.267657 4.434668 4.421601 5.237438 4.082154 4.328933 4.590200 6.001288 3.261974 2.707658 2.628588 1.537219 0.000000 5.772614 6.292092 6.745177 5.677277 6.363796 7.052695 7.711557 5.605231 5.357576 6.381138 5.315039 5.317557 5.843138 7.235197 4.622073 4.094696 4.105048 2.341641 1.536778 0.000000 6.085243 5.983223 6.747761 6.151492 6.792622 7.042010 7.732941 5.425951 4.960046 6.324294 4.842116 4.555273 5.361872 6.780538 4.755510 3.991151 4.215113 1.919560 2.244302 1.515713 0.000000 6.147813 5.701667 6.699994 6.473501 6.744225 7.179247 7.572817 4.938216 4.222211 5.750286 4.780485 4.275767 5.515332 6.366544 4.668167 4.168058 4.742287 2.338352 3.085897 2.592176 1.512418 0.000000 4.706233 4.197122 5.192405 5.142056 5.319368 5.734042 6.041960 3.414631 2.773464 4.273871 3.412959 3.035909 4.278520 4.909784 3.203006 2.810844 3.579963 1.536697 2.613486 2.943686 2.247266 1.536931 0.000000 4.629742 4.166101 4.911193 4.677575 5.571083 5.001356 5.964444 4.150805 3.948298 5.213268 2.770688 2.656521 3.069265 4.939247 3.480676 2.227749 2.394752 1.092200 2.311240 3.049957 2.354096 2.928390 2.291730 0.000000 3.676256 4.755039 4.879301 3.602228 4.165089 5.297742 5.763519 3.984888 4.108186 4.612963 4.178395 4.562101 4.816468 5.808276 2.729166 2.688753 2.724660 2.191106 1.104037 2.250050 3.110945 3.594666 2.863521 3.100831 0.000000 4.379981 5.253566 5.326988 3.979350 5.140989 5.392277 6.355440 4.964625 5.119597 5.788984 4.254986 4.663330 4.516369 6.283399 3.639806 2.895453 2.382234 2.180960 1.100257 2.201991 2.930563 4.016226 3.546229 2.520906 1.781202 0.000000 6.486559 7.144102 7.485933 6.230180 7.103425 7.678276 8.484154 6.568536 6.387873 7.357768 6.082550 6.137592 6.468672 8.107628 5.473764 4.847291 4.642515 3.178884 2.222208 1.099008 2.199075 3.504023 3.983878 3.655550 2.981638 2.404075 0.000000 6.076627 6.715798 7.166984 6.073155 6.501116 7.608188 8.050405 5.801296 5.499861 6.436901 5.929899 5.911839 6.589811 7.653565 4.906740 4.675602 4.818017 3.050352 2.226056 1.103182 2.195216 2.737349 3.194470 3.931401 2.472738 3.040473 1.777348 0.000000 6.881091 6.634373 7.426205 6.871974 7.670633 7.597081 8.451330 6.263186 5.790635 7.223492 5.338433 4.980680 5.685287 7.374536 5.604925 4.649298 4.747791 2.642094 3.032451 2.256212 1.096189 2.262156 3.131223 2.644676 4.029415 3.425966 2.480977 3.038708 0.000000 6.654348 6.397492 7.346607 7.014915 7.106407 7.924505 8.151603 5.423215 4.678141 6.085081 5.651280 5.187404 6.466021 7.069797 5.184948 4.933524 5.526537 3.199681 3.593036 2.844048 2.213808 1.104092 2.246358 3.945168 3.897138 4.607559 3.735834 2.547264 2.987480 0.000000 6.867416 6.055962 7.215058 7.240454 7.517147 7.651916 8.076414 5.441803 4.612152 6.290377 5.063981 4.352017 5.727942 6.572803 5.377506 4.755674 5.369847 3.018325 4.016290 3.521917 2.171973 1.099525 2.200020 3.286365 4.609853 4.843426 4.303112 3.752056 2.463306 1.780037 0.000000 4.808508 3.718657 4.963991 5.384953 5.452111 5.516157 5.749857 3.105984 2.277779 4.004852 2.988613 2.334330 3.886780 4.232252 3.337055 2.917557 3.843102 2.205552 3.540505 3.989510 3.091385 2.219497 1.099413 2.566476 3.767648 4.349671 4.988837 4.286932 3.772938 2.966581 2.399136 0.000000 4.292349 4.138990 4.984100 4.820905 4.707570 5.682937 5.726068 3.015728 2.449142 3.669171 3.726386 3.552495 4.707814 4.908168 2.811444 2.935098 3.755845 2.173820 2.743370 3.185776 2.960101 2.227554 1.102037 3.120960 2.554626 3.760975 4.279059 3.134317 3.979998 2.472004 3.044103 1.775712 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:-2.5352,1.385,-.575;-2.6603,-.9545,.2611;-3.4578,.3858,.2317;-2.3509,2.3179,-.0236;-2.9777,1.6405,-1.5504;-3.6714,.7568,1.2464;-4.4245,.2398,-.2737;-1.8967,-.8604,-1.0711;-1.1604,-1.6625,-1.2089;-2.5484,-.8171,-1.9571;-1.458,-.8522,1.239;-.8972,-1.8041,1.2643;-1.7505,-.6198,2.275;-3.3014,-1.8364,.4177;-1.3118,.4943,-.6776;-.6945,.322,.6014;-.6422,1.2261,1.2196;1.356,.0164,.5449;1.7175,1.4366,.0809;3.2212,1.2396,-.1679;3.2656,-.1481,.4402;2.9825,-1.3241,-.4676;1.463,-1.0966,-.5092;1.2184,-.2328,1.5994;1.1179,1.7313,-.798;1.5211,2.1648,.882;3.858,1.9679,.3534;3.5041,1.2514,-1.2341;3.8508,-.3023,1.3542;3.4968,-1.2872,-1.4439;3.2441,-2.2776,.0134;.8764,-1.9873,-.2423;1.0885,-.7307,-1.4789; 1.8626703 0.4698494 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0.51918 0.52279 0.52540 0.52694 0.53050 0.53869 0.54088 0.54216 0.54512 0.55165 0.55377 0.55580 0.56961 0.57456 0.57686 0.57821 0.59103 0.59627 0.60053 0.61463 0.61608 0.62626 0.63075 0.64242 0.65701 0.66221 0.67261 0.68969 0.70141 0.72259 0.72906 0.74946 0.75772 0.77025 0.78739 0.79284 0.80917 0.81221 0.82343 0.83412 0.84963 0.86273 0.87062 0.87781 0.88413 0.89042 0.91027 0.91580 0.92758 0.93858 0.94631 0.95595 0.96193 0.97090 0.97248 0.98667 0.99397 0.99804 1.00349 1.01780 1.02154 1.02984 1.03551 1.04343 1.04801 1.06548 1.06980 1.08098 1.08284 1.08847 1.10326 1.10894 1.11650 1.12105 1.13081 1.13714 1.14448 1.14632 1.15243 1.16779 1.17100 1.17495 1.17992 1.19282 1.20225 1.20444 1.20786 1.21423 1.21920 1.22386 1.23917 1.24773 1.25143 1.26007 1.26501 1.27557 1.27977 1.28869 1.29213 1.30344 1.30840 1.32249 1.33070 1.33440 1.34276 1.34795 1.35947 1.36608 1.38023 1.39051 1.39443 1.40511 1.40872 1.41481 1.41900 1.42862 1.43907 1.44666 1.45362 1.45923 1.46967 1.48025 1.48939 1.49295 1.49387 1.50023 1.50784 1.51901 1.52425 1.53237 1.53798 1.53887 1.54860 1.56366 1.56674 1.56872 1.58167 1.58562 1.59760 1.59901 1.60487 1.61485 1.61834 1.62340 1.63693 1.64789 1.65508 1.66291 1.67663 1.68310 1.68923 1.70991 1.72152 1.72524 1.74215 1.74869 1.76479 1.76874 1.78384 1.79470 1.80335 1.81348 1.82198 1.82369 1.84374 1.84415 1.87186 1.88444 1.89765 1.90197 1.91316 1.94179 1.94286 1.95927 1.97201 2.00154 2.02350 2.04537 2.06901 2.07945 2.09010 2.10959 2.11719 2.14695 2.14784 2.19752 2.22016 2.23639 2.25212 2.25829 2.28013 2.31487 2.34484 2.34735 2.38510 2.41198 2.43231 2.44090 2.44996 2.46521 2.47358 2.48227 2.48733 2.53272 2.54270 2.54691 2.55997 2.56291 2.58216 2.59756 2.60018 2.60660 2.62048 2.62968 2.63790 2.65062 2.66190 2.66871 2.68875 2.69676 2.69945 2.71219 2.72237 2.72916 2.73794 2.74546 2.75534 2.76901 2.78298 2.79038 2.79476 2.80321 2.82267 2.83511 2.83912 2.84567 2.85089 2.86834 2.87193 2.88942 2.89657 2.90109 2.92181 2.92681 2.92942 2.93482 2.95733 2.96841 2.97547 2.98324 2.98982 2.99017 3.00181 3.00819 3.01328 3.02270 3.03352 3.04265 3.04489 3.06436 3.07557 3.09417 3.10128 3.12105 3.12541 3.13521 3.14006 3.15410 3.16198 3.17297 3.17717 3.19060 3.19736 3.20395 3.21253 3.22443 3.24190 3.25351 3.25737 3.26123 3.27265 3.27784 3.28577 3.29107 3.30279 3.30748 3.31415 3.32147 3.33574 3.33605 3.34737 3.35477 3.35798 3.36477 3.38039 3.38282 3.38671 3.40145 3.40285 3.41337 3.41699 3.42696 3.43370 3.44148 3.45491 3.46030 3.46414 3.47278 3.47987 3.48330 3.50041 3.50612 3.50918 3.53081 3.53592 3.53715 3.54244 3.55270 3.56329 3.56623 3.57674 3.58196 3.59774 3.60644 3.61634 3.62976 3.63468 3.64787 3.64857 3.65286 3.66181 3.66890 3.67151 3.68618 3.69414 3.70331 3.72014 3.72464 3.73491 3.74510 3.74791 3.75552 3.76094 3.77747 3.78212 3.79110 3.79763 3.80166 3.81331 3.81970 3.82580 3.82982 3.83719 3.84753 3.85588 3.86419 3.87675 3.88107 3.89474 3.89867 3.90363 3.91487 3.92325 3.94210 3.94748 3.95121 3.96356 3.96804 3.98484 3.98848 4.00048 4.00266 4.00530 4.01284 4.02677 4.03697 4.04656 4.05535 4.06106 4.06916 4.07918 4.09071 4.09488 4.10262 4.11242 4.12115 4.12558 4.14109 4.14668 4.15890 4.16585 4.16925 4.18099 4.19112 4.20720 4.21123 4.21350 4.22057 4.22744 4.23503 4.24337 4.24705 4.25147 4.27027 4.27499 4.28398 4.28945 4.29368 4.30788 4.31283 4.31313 4.32227 4.33240 4.34123 4.36139 4.36157 4.36754 4.37424 4.38124 4.38760 4.39671 4.40714 4.41585 4.42413 4.42884 4.44553 4.45020 4.46046 4.47273 4.47868 4.48573 4.49115 4.49974 4.52212 4.52629 4.53272 4.54799 4.55772 4.56095 4.56436 4.57265 4.59668 4.60307 4.61852 4.62841 4.63238 4.64612 4.65049 4.65620 4.66937 4.67830 4.68821 4.70689 4.72498 4.73053 4.73675 4.74982 4.75919 4.77342 4.77964 4.79324 4.81292 4.81811 4.83397 4.84007 4.85268 4.85580 4.87002 4.88443 4.89535 4.90306 4.91284 4.92102 4.92524 4.94277 4.96403 4.97700 4.97951 5.00117 5.00903 5.01159 5.01980 5.02675 5.03433 5.03690 5.06131 5.06825 5.07369 5.08290 5.09857 5.10927 5.11965 5.12849 5.13515 5.15073 5.16041 5.17370 5.19050 5.19537 5.21175 5.21751 5.22598 5.23382 5.23981 5.25650 5.26421 5.28877 5.29561 5.30813 5.32876 5.33604 5.35326 5.36592 5.37418 5.39153 5.39836 5.41122 5.42443 5.44042 5.45135 5.48693 5.49183 5.51162 5.51948 5.53035 5.55037 5.57214 5.59332 5.59882 5.61354 5.62930 5.63872 5.65206 5.66697 5.67155 5.67421 5.69797 5.71343 5.73297 5.74469 5.75036 5.76979 5.79255 5.79927 5.80880 5.86195 5.87530 5.88472 5.88940 5.91575 5.94315 5.97164 5.98249 6.01249 22.89639 23.06771 23.26082 23.35404 23.40142 23.45593 23.51264 23.56670 23.58416 23.58551 23.64288 23.69835 23.74364 -10.29914 -10.29494 -10.28589 -10.28167 -10.28119 -10.28096 -10.28007 -10.27993 -10.27833 -10.27784 -10.27664 -10.26975 -10.26903 -0.97528 -0.95621 -0.84757 -0.83607 -0.81117 -0.78518 -0.78021 -0.70470 -0.69679 -0.68538 -0.63609 -0.60950 -0.59670 -0.58374 -0.55906 -0.54526 -0.53358 -0.53031 -0.52219 -0.49314 -0.48561 -0.47526 -0.44887 -0.44417 -0.43669 -0.43017 -0.42879 -0.41434 -0.40690 -0.40395 -0.39598 -0.38972 -0.37790 -0.37644 -0.31699 -0.23456 0.01697 0.10265 0.11762 0.12460 0.13303 0.13882 0.14535 0.14990 0.15431 0.16572 0.17090 0.17387 0.17569 0.18153 0.18664 0.18991 0.20499 0.21568 0.22433 0.22693 0.23198 0.23672 0.24210 0.24999 0.25671 0.26359 0.26704 0.26931 0.27456 0.28036 0.28924 0.29305 0.30049 0.30355 0.30954 0.31854 0.32128 0.32684 0.34099 0.34627 0.35330 0.36164 0.36869 0.37924 0.38807 0.39352 0.40239 0.41439 0.42376 0.43869 0.44551 0.44834 0.44972 0.45894 0.46984 0.47254 0.47425 0.48166 0.48480 0.48700 0.49293 0.49505 0.50037 0.50241 0.50774 0.50882 0.51372 0.51892 0.52312 0.52478 0.52595 0.53013 0.53902 0.53932 0.54182 0.54391 0.55129 0.55344 0.55677 0.56992 0.57444 0.57629 0.57823 0.58911 0.59569 0.60099 0.61379 0.61506 0.62723 0.63092 0.64296 0.65794 0.66261 0.67279 0.69048 0.70181 0.72120 0.73002 0.74832 0.75645 0.76988 0.78664 0.79231 0.80914 0.81135 0.82316 0.83361 0.84847 0.86153 0.87039 0.87842 0.88550 0.89119 0.90894 0.91438 0.92646 0.93843 0.94528 0.95473 0.96314 0.96935 0.97274 0.98500 0.99410 0.99797 1.00246 1.01789 1.02060 1.02910 1.03546 1.04231 1.04749 1.06605 1.07010 1.07966 1.08313 1.08795 1.10165 1.10879 1.11755 1.12129 1.13082 1.13638 1.14489 1.14614 1.15242 1.16751 1.17097 1.17477 1.18168 1.19284 1.20200 1.20458 1.20607 1.21413 1.22039 1.22296 1.23918 1.24712 1.25081 1.26138 1.26578 1.27568 1.27909 1.28904 1.29378 1.30400 1.30806 1.32096 1.32970 1.33365 1.34504 1.34787 1.35952 1.36816 1.37966 1.39073 1.39442 1.40568 1.40849 1.41427 1.41868 1.42879 1.44025 1.44713 1.45368 1.45954 1.47154 1.47967 1.48874 1.49130 1.49307 1.49994 1.50908 1.51936 1.52382 1.53292 1.53763 1.53957 1.54845 1.56348 1.56654 1.56785 1.58088 1.58512 1.59720 1.59962 1.60525 1.61468 1.61675 1.62544 1.63694 1.64482 1.65298 1.66278 1.67619 1.68312 1.68755 1.70903 1.72032 1.72488 1.74198 1.74869 1.76449 1.76860 1.78292 1.79380 1.80258 1.81565 1.82228 1.82369 1.84275 1.84402 1.87219 1.88370 1.89643 1.90140 1.91221 1.94069 1.94275 1.96128 1.97218 1.99943 2.02230 2.04516 2.07016 2.07936 2.09247 2.11079 2.11685 2.14740 2.14883 2.20050 2.22191 2.23857 2.25135 2.25636 2.27891 2.31582 2.34504 2.34893 2.38284 2.41205 2.43363 2.44308 2.45050 2.46643 2.47344 2.48265 2.48638 2.53391 2.54320 2.54767 2.56014 2.56331 2.58266 2.59663 2.59780 2.60923 2.62101 2.62984 2.63873 2.65029 2.66248 2.66877 2.68841 2.69641 2.70029 2.71175 2.71993 2.72947 2.73799 2.74477 2.75388 2.76813 2.78192 2.79025 2.79376 2.80243 2.82198 2.83542 2.83948 2.84474 2.85083 2.86848 2.87157 2.88954 2.89529 2.90126 2.92074 2.92647 2.92900 2.93364 2.95484 2.96691 2.97545 2.98357 2.98958 2.99030 3.00200 3.00812 3.01367 3.02276 3.03386 3.04049 3.04447 3.06225 3.07677 3.09233 3.09929 3.12112 3.12539 3.13516 3.13829 3.15277 3.16112 3.17264 3.17491 3.19158 3.19664 3.20214 3.21230 3.22382 3.24019 3.25351 3.25861 3.26194 3.27170 3.27645 3.28512 3.29126 3.30174 3.30736 3.31281 3.32181 3.33571 3.33861 3.34648 3.35324 3.35844 3.36609 3.38221 3.38416 3.38770 3.40206 3.40410 3.41471 3.41856 3.42771 3.43466 3.43910 3.45513 3.46049 3.46355 3.47172 3.47579 3.48579 3.50034 3.50617 3.50778 3.53081 3.53511 3.53780 3.54277 3.55175 3.56208 3.56584 3.57480 3.58226 3.59629 3.60650 3.61631 3.62860 3.63341 3.64833 3.64865 3.65199 3.66143 3.66813 3.67026 3.68599 3.69418 3.70358 3.72012 3.72420 3.73344 3.74372 3.74795 3.75592 3.76057 3.77633 3.78119 3.79056 3.79630 3.80181 3.81455 3.81932 3.82642 3.83060 3.83879 3.84797 3.85538 3.86390 3.87580 3.88363 3.89438 3.89888 3.90182 3.91528 3.92436 3.94243 3.94642 3.95148 3.96409 3.96782 3.98522 3.98793 3.99938 4.00220 4.00696 4.01341 4.02701 4.03786 4.04581 4.05523 4.06160 4.06946 4.07942 4.09203 4.09392 4.10291 4.11221 4.11994 4.12468 4.14219 4.14656 4.16330 4.16635 4.16954 4.17996 4.19148 4.20527 4.21111 4.21317 4.22078 4.22742 4.23602 4.24395 4.24786 4.25119 4.27052 4.27424 4.28506 4.28948 4.29373 4.30836 4.31242 4.31386 4.32199 4.33157 4.34173 4.36161 4.36293 4.36678 4.37388 4.38166 4.38723 4.39699 4.40867 4.41620 4.42395 4.42934 4.44552 4.45119 4.45991 4.47179 4.47819 4.48677 4.49082 4.50034 4.52153 4.52784 4.53303 4.54804 4.55859 4.56180 4.56403 4.57184 4.59677 4.60303 4.62282 4.62746 4.63401 4.64590 4.65113 4.65592 4.66889 4.67841 4.68788 4.70713 4.72426 4.72967 4.73610 4.74904 4.75965 4.77419 4.78029 4.79258 4.81368 4.81706 4.83305 4.83996 4.85165 4.85481 4.87047 4.88400 4.89501 4.90253 4.91187 4.92100 4.92526 4.94301 4.96349 4.97639 4.97964 5.00035 5.00780 5.01111 5.02026 5.02573 5.03441 5.03706 5.06053 5.06618 5.07398 5.08244 5.09858 5.10908 5.11923 5.12834 5.13602 5.15178 5.16051 5.17312 5.19075 5.19516 5.21352 5.21789 5.22661 5.23308 5.23896 5.25671 5.26338 5.28796 5.29519 5.30826 5.32851 5.33511 5.35255 5.36607 5.37310 5.39122 5.39778 5.41179 5.42438 5.44059 5.45117 5.48657 5.49131 5.50898 5.51794 5.52996 5.55185 5.57249 5.59278 5.59905 5.61318 5.62966 5.63816 5.65197 5.66642 5.67056 5.67361 5.69867 5.71389 5.73235 5.74358 5.75013 5.77031 5.79106 5.79877 5.80771 5.86139 5.87525 5.88399 5.88875 5.91636 5.94298 5.97147 5.98204 6.01181 22.90865 23.06087 23.25533 23.35397 23.40270 23.45747 23.51305 23.56618 23.58377 23.58506 23.64349 23.69903 23.74200 1-A. 0.2561 -0.3202 0.8598 0.9526 -81.2899 -81.8582 -81.6350 0.1558 0.7342 1.0706 0.3045 -0.2638 -0.0406 0.1558 0.7342 1.0706 -3.7229 -2.1635 3.1458 2.2130 0.6317 0.2053 1.3060 0.8826 4.0894 -0.6163 -2941.4737 -648.7064 -375.7512 10.4196 27.3267 -0.0903 4.9147 0.1792 3.1475 -594.2526 -532.6506 -174.5937 1.1911 4.1495 -1.3599 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 -507.048699226536 -507.130305801323 -0.081606574788 -507.211813215287 -0.081507413964 -507.222698435696 -0.010885220409 -507.223977896823 -0.001279461127 -507.224857123130 -0.000879226307 -507.225189097059 -0.000331973930 -507.225330859844 -0.000141762785 -507.225386150423 -0.000055290579 -507.225407234453 -0.000021084029 -507.225413733475 -0.000006499022 -507.225424358003 -0.000010624528 -507.225434947756 -0.000010589753 -507.225435045755 -0.000000097999 -507.225435086554 -0.000000040798 -507.225435115900 -0.000000029346 -507.225435134310 -0.000000018410 -507.225435150723 -0.000000016413 -507.225435154242 -0.000000003519 -507.225435154948 -0.000000000706 -507.225435155083 -0.000000000135 -507.225435155122 -0.000000000039 -507.225435155145 -0.000000000023 -507.225435155 23 0.6467 5.040910207518e+02 -2.838497869759e+03 9.954391260472e+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. 0.6467 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 -0.01464 0.02942 0.03516 0.00043 0.00032 -0.00037 0.00134 0.00235 0.00158 0.00081 0.04001 -0.00687 -0.00173 0.00025 0.18185 -0.11711 0.00469 -0.01962 -0.06900 0.02198 -0.11574 0.02482 -0.05242 -0.01919 0.00010 0.00060 -0.00046 -0.00387 0.00511 -0.00505 -0.00036 0.00042 0.00075 -8.22719 16.53923 19.76178 0.96031 0.72463 -0.82558 2.98762 1.32181 3.52863 1.81026 22.48838 -15.34658 -3.86881 0.55163 102.21564 -65.82977 10.47391 -11.02970 -38.78204 12.35759 -65.05433 13.95252 -29.46573 -42.89875 0.22369 1.33659 -1.02412 -8.64135 11.42684 -11.28342 -0.80955 0.94799 1.67555 -2.93566 5.90161 7.05149 0.34266 0.25856 -0.29459 1.06606 0.47165 1.25910 0.64595 8.02441 -5.47604 -1.38049 0.19684 36.47308 -23.48970 3.73735 -3.93567 -13.83840 4.40949 -23.21300 4.97861 -10.51410 -15.30734 0.07982 0.47693 -0.36543 -3.08345 4.07738 -4.02620 -0.28887 0.33826 0.59788 -2.74429 5.51689 6.59182 0.32033 0.24171 -0.27539 0.99656 0.44091 1.17702 0.60384 7.50132 -5.11907 -1.29050 0.18400 34.09547 -21.95845 3.49372 -3.67911 -12.93630 4.12205 -21.69979 4.65406 -9.82871 -14.30948 0.07461 0.44584 -0.34161 -2.88244 3.81159 -3.76374 -0.27004 0.31621 0.55890 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 0.008159 -0.014255 0.011457 -0.001466 0.007224 -0.002814 0.004505 -0.007729 -0.006494 0.000684 -0.017218 0.000290 -0.003379 -0.001536 0.133749 -0.406169 -0.000884 0.235160 -0.001694 0.005864 -0.468440 0.008479 -0.015696 -0.006349 0.007780 0.000784 0.004050 0.004939 -0.010177 0.004396 0.003904 -0.001065 0.003851 -0.004974 -0.005065 -0.003740 0.003738 -0.000680 -0.001535 -0.003621 0.019637 0.012056 0.000914 0.015782 -0.001632 0.000005 0.001594 -0.236767 0.150283 -0.017364 -0.115675 -0.025619 -0.003958 0.294175 -0.002754 0.005941 -0.006455 -0.002262 -0.002728 -0.007865 -0.002410 0.035506 -0.000309 -0.007236 0.000173 0.002872 -0.003185 0.019320 -0.007717 -0.002272 -0.006543 0.004349 -0.000884 -0.011908 -0.005562 -0.001599 0.001437 0.001343 0.003373 -0.000058 0.103018 0.255886 0.018248 -0.119485 0.027313 -0.001906 0.174264 -0.005725 0.009755 0.012805 -0.005518 0.001944 0.003815 -0.002529 -0.025329 -0.004088 0.003332 0.000892 -0.006723 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 -0.005559 0.005592 0.024478 -0.003941 -0.006791 0.000997 0.001242 0.012870 -0.001316 0.007180 0.016507 -0.004724 -0.000972 0.002170 0.276139 0.195749 0.001839 -0.048849 0.023195 -0.004109 0.039222 -0.000608 -0.019207 -0.000918 0.008469 0.003688 -0.001982 -0.000309 0.006338 -0.000706 -0.001307 -0.004394 -0.007330 -0.014040 -0.025654 -0.030764 -0.005392 0.004351 -0.004121 0.000463 -0.001195 -0.002167 0.003567 -0.008297 0.000347 0.000867 -0.002112 -0.524948 0.075816 0.002367 0.051488 0.007926 0.001842 0.310604 0.002209 -0.015262 0.003205 0.002607 0.002569 0.001462 0.000433 -0.017071 -0.000011 0.000959 0.001025 -0.003496 0.006202 -0.009890 -0.018186 0.005291 -0.003414 0.001601 -0.000830 0.003165 0.000174 0.005728 -0.023551 -0.001533 0.001264 -0.001253 -0.258252 -0.024308 -0.022587 -0.005572 -0.000369 0.004339 -0.016324 -0.005184 -0.016691 -0.005119 0.003782 -0.001050 0.001622 0.005633 0.008188 -0.005133 -0.004197 -0.001314 0.000679 0.4631 -0.3089 0.8307 0.4238 0.9004 0.0985 0.7784 -0.3065 -0.5479 -0.0133 -0.0069 0.0202 -1.787 -0.927 2.715 -0.638 -0.331 0.969 -0.596 -0.309 0.906 1 C 13 0.8805 -0.0103 0.4739 -0.1168 0.9643 0.2378 -0.4594 -0.2648 0.8478 -0.0281 -0.0082 0.0363 -3.775 -1.098 4.872 -1.347 -0.392 1.739 -1.259 -0.366 1.625 2 C 13 0.5882 0.0116 0.8086 -0.3992 0.8738 0.2779 0.7033 0.4862 -0.5186 -0.0304 -0.0207 0.0511 -4.073 -2.779 6.852 -1.453 -0.991 2.445 -1.359 -0.927 2.286 3 C 13 0.5997 -0.1593 0.7842 0.6413 0.6819 -0.3518 -0.4787 0.7139 0.5111 -0.0075 -0.0027 0.0102 -3.986 -1.44 5.425 -1.422 -0.514 1.936 -1.329 -0.48 1.81 4 H 1 -0.1296 0.3084 0.9424 0.5466 0.8152 -0.1916 0.8273 -0.4902 0.2742 -0.0083 -0.0044 0.0127 -4.406 -2.364 6.77 -1.572 -0.844 2.416 -1.47 -0.789 2.258 5 H 1 0.8234 -0.3883 0.4138 0.4088 0.9117 0.042 -0.3935 0.1345 0.9094 -0.0054 -0.001 0.0064 -2.857 -0.541 3.398 -1.019 -0.193 1.213 -0.953 -0.18 1.134 6 H 1 -0.1525 0.9504 0.271 -0.0195 -0.2771 0.9606 0.9881 0.1412 0.0608 -0.0041 -7.0E-4 0.0047 -2.165 -0.349 2.514 -0.772 -0.125 0.897 -0.722 -0.116 0.839 7 H 1 0.6939 -0.3191 0.6455 -0.6214 0.1876 0.7607 0.3638 0.929 0.0681 -0.0148 -0.0102 0.0249 -1.98 -1.362 3.343 -0.707 -0.486 1.193 -0.661 -0.454 1.115 8 C 13 0.7832 0.0453 0.6202 -0.6176 -0.0596 0.7842 -0.0725 0.9972 0.0187 -0.0083 -0.0039 0.0122 -4.421 -2.064 6.486 -1.578 -0.737 2.314 -1.475 -0.689 2.163 9 H 1 -0.4716 0.7483 -0.4665 -0.6494 0.0632 0.7578 0.5966 0.6603 0.4561 -0.0072 -0.0042 0.0114 -3.831 -2.229 6.06 -1.367 -0.795 2.162 -1.278 -0.743 2.022 10 H 1 0.8948 -0.4332 -0.1083 0.323 0.4605 0.8268 0.3083 0.7748 -0.552 -0.0242 -0.0149 0.0391 -3.248 -2.003 5.251 -1.159 -0.715 1.874 -1.083 -0.668 1.751 11 C 13 0.6126 0.7778 0.1405 -0.3676 0.123 0.9218 0.6997 -0.6163 0.3613 -0.0056 0.001 0.0046 -3.003 0.533 2.47 -1.072 0.19 0.881 -1.002 0.178 0.824 12 H 1 0.9419 0.2928 -0.1646 -0.3275 0.9094 -0.2565 0.0746 0.2955 0.9524 -0.0038 -0.0 0.0038 -2.045 -0.001 2.045 -0.73 -0.0 0.73 -0.682 -0.0 0.682 13 H 1 0.8529 -0.2615 0.4518 -0.2001 0.6356 0.7456 0.4821 0.7264 -0.4898 -0.0033 -6.0E-4 0.0039 -1.771 -0.299 2.07 -0.632 -0.107 0.739 -0.591 -0.1 0.69 14 H 1 0.7319 -0.1957 0.6527 -0.0992 0.9171 0.3862 0.6741 0.3474 -0.6518 -0.4082 -0.3754 0.7836 -54.778 -50.374 105.152 -19.546 -17.975 37.521 -18.272 -16.803 35.075 15 C 13 0.9478 -0.3001 -0.108 0.3024 0.9532 0.0056 0.1013 -0.0379 0.9941 -0.4768 0.2122 0.2645 -63.98 28.481 35.499 -22.83 10.163 12.667 -21.341 9.5 11.841 16 C 13 -0.0967 0.8946 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1.20458 1.20607 1.21413 1.22039 1.22296 1.23918 1.24712 1.25081 1.26138 1.26578 1.27568 1.27909 1.28904 1.29378 1.30400 1.30806 1.32096 1.32970 1.33365 1.34504 1.34787 1.35952 1.36816 1.37966 1.39073 1.39442 1.40568 1.40849 1.41427 1.41868 1.42879 1.44025 1.44713 1.45368 1.45954 1.47154 1.47967 1.48874 1.49130 1.49307 1.49994 1.50908 1.51936 1.52382 1.53292 1.53763 1.53957 1.54845 1.56348 1.56654 1.56785 1.58088 1.58512 1.59720 1.59962 1.60525 1.61468 1.61675 1.62544 1.63694 1.64482 1.65298 1.66278 1.67619 1.68312 1.68755 1.70903 1.72032 1.72488 1.74198 1.74869 1.76449 1.76860 1.78292 1.79380 1.80258 1.81565 1.82228 1.82369 1.84275 1.84402 1.87219 1.88370 1.89643 1.90140 1.91221 1.94069 1.94275 1.96128 1.97218 1.99943 2.02230 2.04516 2.07016 2.07936 2.09247 2.11079 2.11685 2.14740 2.14883 2.20050 2.22191 2.23857 2.25135 2.25636 2.27891 2.31582 2.34504 2.34893 2.38284 2.41205 2.43363 2.44308 2.45050 2.46643 2.47344 2.48265 2.48638 2.53391 2.54320 2.54767 2.56014 2.56331 2.58266 2.59663 2.59780 2.60923 2.62101 2.62984 2.63873 2.65029 2.66248 2.66877 2.68841 2.69641 2.70029 2.71175 2.71993 2.72947 2.73799 2.74477 2.75388 2.76813 2.78192 2.79025 2.79376 2.80243 2.82198 2.83542 2.83948 2.84474 2.85083 2.86848 2.87157 2.88954 2.89529 2.90126 2.92074 2.92647 2.92900 2.93364 2.95484 2.96691 2.97545 2.98357 2.98958 2.99030 3.00200 3.00812 3.01367 3.02276 3.03386 3.04049 3.04447 3.06225 3.07677 3.09233 3.09929 3.12112 3.12539 3.13516 3.13829 3.15277 3.16112 3.17264 3.17491 3.19158 3.19664 3.20214 3.21230 3.22382 3.24019 3.25351 3.25861 3.26194 3.27170 3.27645 3.28512 3.29126 3.30174 3.30736 3.31281 3.32181 3.33571 3.33861 3.34648 3.35324 3.35844 3.36609 3.38221 3.38416 3.38770 3.40206 3.40410 3.41471 3.41856 3.42771 3.43466 3.43910 3.45513 3.46049 3.46355 3.47172 3.47579 3.48579 3.50034 3.50617 3.50778 3.53081 3.53511 3.53780 3.54277 3.55175 3.56208 3.56584 3.57480 3.58226 3.59629 3.60650 3.61631 3.62860 3.63341 3.64833 3.64865 3.65199 3.66143 3.66813 3.67026 3.68599 3.69418 3.70358 3.72012 3.72420 3.73344 3.74372 3.74795 3.75592 3.76057 3.77633 3.78119 3.79056 3.79630 3.80181 3.81455 3.81932 3.82642 3.83060 3.83879 3.84797 3.85538 3.86390 3.87580 3.88363 3.89438 3.89888 3.90182 3.91528 3.92436 3.94243 3.94642 3.95148 3.96409 3.96782 3.98522 3.98793 3.99938 4.00220 4.00696 4.01341 4.02701 4.03786 4.04581 4.05523 4.06160 4.06946 4.07942 4.09203 4.09392 4.10291 4.11221 4.11994 4.12468 4.14219 4.14656 4.16330 4.16635 4.16954 4.17996 4.19148 4.20527 4.21111 4.21317 4.22078 4.22742 4.23602 4.24395 4.24786 4.25119 4.27052 4.27424 4.28506 4.28948 4.29373 4.30836 4.31242 4.31386 4.32199 4.33157 4.34173 4.36161 4.36293 4.36678 4.37388 4.38166 4.38723 4.39699 4.40867 4.41620 4.42395 4.42934 4.44552 4.45119 4.45991 4.47179 4.47819 4.48677 4.49082 4.50034 4.52153 4.52784 4.53303 4.54804 4.55859 4.56180 4.56403 4.57184 4.59677 4.60303 4.62282 4.62746 4.63401 4.64590 4.65113 4.65592 4.66889 4.67841 4.68788 4.70713 4.72426 4.72967 4.73610 4.74904 4.75965 4.77419 4.78029 4.79258 4.81368 4.81706 4.83305 4.83996 4.85165 4.85481 4.87047 4.88400 4.89501 4.90253 4.91187 4.92100 4.92526 4.94301 4.96349 4.97639 4.97964 5.00035 5.00780 5.01111 5.02026 5.02573 5.03441 5.03706 5.06053 5.06618 5.07398 5.08244 5.09858 5.10908 5.11923 5.12834 5.13602 5.15178 5.16051 5.17312 5.19075 5.19516 5.21352 5.21789 5.22661 5.23308 5.23896 5.25671 5.26338 5.28796 5.29519 5.30826 5.32851 5.33511 5.35255 5.36607 5.37310 5.39122 5.39778 5.41179 5.42438 5.44059 5.45117 5.48657 5.49131 5.50898 5.51794 5.52996 5.55185 5.57249 5.59278 5.59905 5.61318 5.62966 5.63816 5.65197 5.66642 5.67056 5.67361 5.69867 5.71389 5.73235 5.74358 5.75013 5.77031 5.79106 5.79877 5.80771 5.86139 5.87525 5.88399 5.88875 5.91636 5.94298 5.97147 5.98204 6.01181 22.90865 23.06087 23.25533 23.35397 23.40270 23.45747 23.51305 23.56618 23.58377 23.58506 23.64349 23.69903 23.74200 1-A. 0.2561 -0.3202 0.8598 0.9526 -81.2899 -81.8582 -81.6350 0.1558 0.7342 1.0706 0.3045 -0.2638 -0.0406 0.1558 0.7342 1.0706 -3.7229 -2.1635 3.1458 2.2130 0.6317 0.2053 1.3060 0.8826 4.0894 -0.6163 -2941.4737 -648.7064 -375.7512 10.4196 27.3267 -0.0903 4.9147 0.1792 3.1475 -594.2526 -532.6506 -174.5937 1.1911 4.1495 -1.3599 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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) 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