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;4;5;6;17;18;19;20;21;24;27;7;8;9;10;11;12;13;14;15;16;22;23;25;26;28;29;30;31;32;33/rA:33nC0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.126,.1622,-.5559;1.5328,1.3509,.2743;2.7338,1.0776,-.5268;3.7513,.0801,-.0566;2.9693,-1.0609,.6056;1.672,-1.2206,-.1942;.8414,.3591,-1.5888;1.5818,1.1786,1.3563;.9923,2.2736,.042;2.9279,1.6877,-1.4114;4.4893,.5162,.6426;4.3208,-.2967,-.922;2.7301,-.7975,1.6483;3.5457,-1.9969,.6497;1.8691,-1.7723,-1.1269;.9455,-1.8191,.3752;-.889,-.0769,-.1312;-1.1589,-.1952,1.3693;-1.6853,1.177,-.5072;-1.551,-1.1427,-.8225;-2.7018,.1135,1.3599;-.9367,-1.1951,1.7696;-.6037,.5462,1.967;-3.0182,.5357,-.1075;-1.6216,1.4348,-1.5757;-1.4214,2.0608,.0941;-2.9887,-.7028,-1.0404;-1.3056,-2.1909,-.6214;-3.2975,-.7591,1.6694;-2.9453,.9357,2.0498;-3.9223,1.1573,-.1973;-3.2485,-.4152,-2.0775;-3.6955,-1.4952,-.7436; /opt/g16/c02-avx2/g16/g16 /opt/g16/c02-avx2/g16/l1.exe "/fast/scratch/foo/job_730_F-TS-ABO-fo_tight_redo_stableSP/Gau-45069.inp" -scrdir="/fast/scratch/foo/job_730_F-TS-ABO-fo_tight_redo_stableSP/" nproc=64 mem=480GB #p uwb97xd/def2TZVPP stable=opt guess=(mix,always) Int=UltraFine 1/38=1,172=1/1 2/12=2,17=6,18=5,40=1/2 3/5=44,7=202,11=2,25=1,30=1,74=-58,75=-5,116=2/1,2,3 4/13=-1/1 5/5=2,38=5/2 6/7=2,8=2,9=2,10=2,28=1/1 8/6=1,10=90,11=11/1 9/8=-3,42=1,46=1/14 5/5=2,8=3,17=40,38=5/8(-2) 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Title Card Required 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 12 12 12 12 12 1 1 12 1 1 12 1 1 1 1 1 1 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 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 1 1 0 1 1 0 1 1 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -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 768 834.1022841749 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 -0.0290190359 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;4;5;6;17;18;19;20;21;24;27;7;8;9;10;11;12;13;14;15;16;22;23;25;26;28;29;30;31;32;33/rA:33nC0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.126,.1622,-.5559;1.5328,1.3509,.2743;2.7338,1.0776,-.5268;3.7513,.0801,-.0566;2.9693,-1.0609,.6056;1.672,-1.2206,-.1942;.8414,.3591,-1.5888;1.5818,1.1786,1.3563;.9923,2.2736,.042;2.9279,1.6876,-1.4114;4.4893,.5162,.6426;4.3208,-.2966,-.922;2.7301,-.7975,1.6483;3.5457,-1.9969,.6497;1.8691,-1.7723,-1.1269;.9455,-1.8191,.3752;-.889,-.0769,-.1312;-1.1589,-.1952,1.3693;-1.6853,1.177,-.5072;-1.551,-1.1427,-.8225;-2.7018,.1135,1.3599;-.9367,-1.1951,1.7696;-.6037,.5462,1.967;-3.0182,.5357,-.1075;-1.6216,1.4348,-1.5757;-1.4214,2.0608,.0941;-2.9887,-.7028,-1.0404;-1.3056,-2.1909,-.6214;-3.2975,-.7591,1.6694;-2.9452,.9357,2.0498;-3.9223,1.1573,-.1973;-3.2485,-.4152,-2.0775;-3.6955,-1.4952,-.7436; 0.000000 1.505915 0.000000 1.850389 1.469344 0.000000 2.673652 2.578055 1.500385 0.000000 2.498565 2.826712 2.431208 1.533671 0.000000 1.530095 2.617552 2.553362 2.456481 1.532289 0.000000 1.089342 2.221044 2.285939 3.300453 3.370400 2.265040 0.000000 2.213017 1.096753 2.209849 2.812468 2.739388 2.858020 3.145430 0.000000 2.198468 1.094244 2.187900 3.526066 3.917267 3.567504 2.519475 1.809392 0.000000 2.511139 2.213916 1.091991 2.257743 3.409470 3.393646 2.479946 3.119538 2.490463 0.000000 3.587950 3.094063 2.182665 1.106178 2.190680 3.413716 4.279107 3.066210 3.959530 2.833529 0.000000 3.248327 3.452354 2.136161 1.102295 2.178108 2.898206 3.602929 3.856064 4.314442 2.473279 1.771106 0.000000 2.890139 2.817288 2.871695 2.172509 1.101779 2.166422 3.922243 2.304075 3.877055 3.946719 2.414875 3.063869 0.000000 3.459832 3.924372 3.390480 2.203415 1.100115 2.196725 4.227880 3.800009 5.012596 4.266768 2.684333 2.441617 1.760979 0.000000 2.149598 3.439673 3.038085 2.849551 2.172105 1.101512 2.410894 3.867447 4.301705 3.629530 3.903058 2.868925 3.064932 2.453172 0.000000 2.196599 3.225527 3.521693 3.415587 2.173384 1.100092 2.934722 3.217696 4.106466 4.406711 4.252461 3.923446 2.418597 2.620779 1.763986 0.000000 2.073084 2.840458 3.822858 4.643577 4.049373 2.805494 2.304129 3.145462 3.015648 4.395617 5.465924 5.274078 4.096854 4.895224 3.387177 2.580099 0.000000 3.009068 3.291554 4.513083 5.120440 4.286520 3.392584 3.613663 3.065721 3.533255 5.289514 5.738948 5.940286 3.945260 5.088949 4.229288 2.837856 1.529136 0.000000 2.989170 3.316147 4.420256 5.564390 5.283099 4.137345 2.867547 3.761178 2.945091 4.728615 6.315334 6.198115 5.295332 6.226979 4.660021 4.083590 1.532192 2.383504 0.000000 2.990004 4.114730 4.834975 5.495123 4.741176 3.284602 2.926822 4.466566 4.345919 5.330908 6.432975 5.933297 4.955024 5.373428 3.490840 2.850298 1.432512 2.419797 2.344890 0.000000 4.280649 4.543225 5.833896 6.606786 5.840258 4.829542 4.616161 4.413977 4.477581 6.469239 7.237910 7.395363 5.515301 6.632442 5.534700 4.243409 2.354906 1.573480 2.377024 2.768570 0.000000 3.391898 3.849212 4.889904 5.190278 4.077952 3.265351 4.105637 3.485392 4.328654 5.776186 5.799988 5.974400 3.690353 4.689320 4.073790 2.424132 2.205849 1.099735 3.372082 2.664421 2.235076 0.000000 3.082877 2.842057 4.200028 4.824769 4.147568 3.601504 3.842796 2.355676 3.039181 5.018839 5.262433 5.771240 3.608522 5.041856 4.589382 3.244702 2.207279 1.102312 2.772974 3.395729 2.226578 1.783752 0.000000 4.185027 4.639115 5.792659 6.784979 6.237541 5.008973 4.137860 4.869859 4.373372 6.195417 7.544824 7.430811 6.156549 7.076174 5.500137 4.635546 2.215661 2.484319 1.532212 2.341164 1.559286 3.294147 3.183241 0.000000 3.195096 3.657839 4.494208 5.745523 5.662388 4.450573 2.687709 4.350196 3.186412 4.559541 6.565629 6.223979 5.857890 6.590161 4.761502 4.580760 2.215476 3.397576 1.100953 2.686225 3.395553 4.310006 3.791598 2.216820 0.000000 3.242851 3.043588 4.314857 5.540984 5.411517 4.518810 3.293662 3.374984 2.423602 4.617599 6.133706 6.289895 5.274497 6.437833 5.197199 4.553496 2.214481 2.604678 1.101068 3.334600 2.652073 3.693628 2.543689 2.217257 1.794482 0.000000 4.232412 5.137106 6.015040 6.856248 6.191472 4.765090 4.012218 5.493008 5.087124 6.392037 7.761305 7.321729 6.320039 6.872379 4.974838 4.327501 2.372119 3.067942 2.348795 1.519178 2.551440 3.514106 4.036381 1.550878 2.593198 3.373589 0.000000 3.384332 4.626328 5.196961 5.572103 4.588713 3.160674 3.470971 4.858156 5.064764 5.795634 6.519646 5.944286 4.835305 5.018818 3.241755 2.489689 2.209695 2.822623 3.391132 1.095125 3.344397 2.616256 3.831966 3.260607 3.762434 4.313028 2.285331 0.000000 5.036677 5.452544 6.676352 7.305444 6.363592 5.327476 5.384899 5.259300 5.499828 7.364378 7.957045 8.060279 6.027813 7.028671 5.961535 4.560854 3.083604 2.232012 3.329502 3.067113 1.100988 2.402796 3.008137 2.216279 4.260559 3.735417 2.727941 3.356477 0.000000 4.895177 4.835030 6.237849 7.071984 6.407309 5.568108 5.283067 4.586278 4.617956 6.858539 7.578136 7.946426 5.947684 7.259004 6.372019 5.052771 3.163904 2.221051 2.860810 3.809701 1.100592 2.941542 2.375160 2.195240 3.891690 2.722665 3.497983 4.427123 1.772286 0.000000 5.157860 5.478813 6.664728 7.750091 7.284112 6.078676 5.026537 5.719160 5.045427 6.977141 8.477631 8.401647 7.175087 8.150920 6.556423 5.734225 3.275405 3.452476 2.258462 3.362144 2.236931 4.279700 4.008788 1.100841 2.696276 2.675002 2.245561 4.270540 2.747278 2.460309 0.000000 4.667416 5.613478 6.357804 7.302511 6.802675 5.329822 4.191139 6.137055 5.450389 6.558510 8.254663 7.657936 7.054937 7.490064 5.379108 5.057260 3.077304 4.036753 2.728514 2.232905 3.520534 4.555553 4.927213 2.199687 2.514183 3.766321 1.107204 3.008021 3.763036 4.353388 2.542105 0.000000 5.101812 6.039135 6.928349 7.642515 6.813768 5.402502 4.973512 6.277614 6.065983 7.378729 8.541484 8.107350 6.891783 7.391092 5.584602 4.784856 3.203560 3.548053 3.352216 2.174668 2.828429 3.743957 4.590607 2.233398 3.684805 4.303297 1.102479 2.492106 2.554040 3.778266 2.717672 1.773519 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;4;5;6;17;18;19;20;21;24;27;7;8;9;10;11;12;13;14;15;16;22;23;25;26;28;29;30;31;32;33/rA:33nC0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.126,.1622,-.5559;1.5328,1.3509,.2743;2.7338,1.0776,-.5268;3.7513,.0801,-.0566;2.9693,-1.0609,.6056;1.672,-1.2206,-.1942;.8414,.3591,-1.5888;1.5818,1.1786,1.3563;.9923,2.2736,.042;2.9279,1.6876,-1.4114;4.4893,.5162,.6426;4.3208,-.2966,-.922;2.7301,-.7975,1.6483;3.5457,-1.9969,.6497;1.8691,-1.7723,-1.1269;.9455,-1.8191,.3752;-.889,-.0769,-.1312;-1.1589,-.1952,1.3693;-1.6853,1.177,-.5072;-1.551,-1.1427,-.8225;-2.7018,.1135,1.3599;-.9367,-1.1951,1.7696;-.6037,.5462,1.967;-3.0182,.5357,-.1075;-1.6216,1.4348,-1.5757;-1.4214,2.0608,.0941;-2.9887,-.7028,-1.0404;-1.3056,-2.1909,-.6214;-3.2975,-.7591,1.6694;-2.9452,.9357,2.0498;-3.9223,1.1573,-.1973;-3.2485,-.4152,-2.0775;-3.6955,-1.4952,-.7436; 1.9035508 0.4619519 0.4483874 -10.30520 -10.29058 -10.28939 -10.28629 -10.28368 -10.28189 -10.28050 -10.28016 -10.27930 -10.27765 -10.27715 -10.26906 -10.25784 -0.97686 -0.96126 -0.85702 -0.82959 -0.82002 -0.79597 -0.77981 -0.71659 -0.68018 -0.65938 -0.63720 -0.63323 -0.59530 -0.59211 -0.56321 -0.55836 -0.53371 -0.53020 -0.50634 -0.50381 -0.48156 -0.47616 -0.45356 -0.44197 -0.43948 -0.42745 -0.41782 -0.41700 -0.40911 -0.40587 -0.40228 -0.39855 -0.39457 -0.37848 -0.33515 -0.21715 0.02839 0.10374 0.11829 0.12174 0.13496 0.14271 0.14766 0.15297 0.16301 0.16659 0.17159 0.17507 0.17820 0.18348 0.19088 0.19566 0.20006 0.20226 0.21199 0.22625 0.23142 0.23771 0.24161 0.25093 0.26044 0.26463 0.26915 0.27205 0.27768 0.28021 0.28368 0.28504 0.30122 0.30838 0.31323 0.31412 0.32081 0.32678 0.33887 0.34637 0.35260 0.36018 0.37183 0.37713 0.38882 0.40616 0.40751 0.42044 0.42337 0.43352 0.43985 0.44994 0.45353 0.45723 0.46403 0.46871 0.47304 0.47795 0.48599 0.49181 0.49400 0.49709 0.50232 0.50747 0.50865 0.51265 0.51386 0.51909 0.52122 0.52519 0.52764 0.53166 0.53262 0.53762 0.54607 0.55161 0.55726 0.55984 0.56593 0.57098 0.57469 0.57746 0.58099 0.58489 0.59038 0.59435 0.60328 0.61137 0.61719 0.62946 0.63282 0.63471 0.64390 0.66498 0.68498 0.71377 0.72208 0.73158 0.73785 0.75079 0.77172 0.77490 0.79352 0.80794 0.81081 0.82542 0.83046 0.83777 0.85415 0.86089 0.87474 0.87572 0.88093 0.89883 0.90958 0.92485 0.93566 0.94882 0.95742 0.96892 0.97858 0.98028 0.98764 0.99080 0.99553 1.00203 1.00931 1.01709 1.02517 1.04356 1.04681 1.05511 1.05967 1.06990 1.07358 1.08508 1.09092 1.10391 1.10704 1.11312 1.12353 1.12945 1.14236 1.14364 1.15028 1.15614 1.16587 1.16837 1.17572 1.18385 1.19181 1.19431 1.19923 1.20498 1.21099 1.22421 1.23033 1.24212 1.24726 1.25204 1.26696 1.27469 1.28467 1.29102 1.29565 1.30579 1.30716 1.32233 1.32824 1.33493 1.34002 1.34299 1.35714 1.35984 1.36515 1.37511 1.37676 1.38860 1.39246 1.41174 1.41442 1.41855 1.42690 1.43070 1.44246 1.44967 1.45963 1.47696 1.48008 1.48524 1.48619 1.49389 1.50751 1.51064 1.51948 1.52598 1.52909 1.53707 1.54721 1.55173 1.55304 1.56156 1.57404 1.58271 1.58622 1.60093 1.60295 1.60866 1.62838 1.63440 1.64527 1.64826 1.65790 1.66788 1.67808 1.69325 1.70161 1.71246 1.71746 1.73395 1.73997 1.75125 1.75789 1.76582 1.77920 1.79053 1.79787 1.80483 1.82123 1.82856 1.83712 1.85058 1.85530 1.86326 1.87391 1.89821 1.90381 1.92648 1.93315 1.94308 1.97032 1.98820 1.99987 2.00435 2.03714 2.05279 2.07937 2.10209 2.11022 2.13009 2.14441 2.15733 2.17362 2.19072 2.20951 2.24173 2.25299 2.25943 2.28287 2.30531 2.31484 2.34430 2.36522 2.38396 2.39443 2.42884 2.43482 2.45467 2.48254 2.49526 2.51871 2.51997 2.53815 2.55122 2.56187 2.56520 2.57518 2.58403 2.59442 2.61314 2.63271 2.63794 2.64483 2.65823 2.67026 2.68096 2.68994 2.70349 2.70962 2.71393 2.72244 2.74493 2.75120 2.76246 2.77578 2.78916 2.79206 2.81122 2.82242 2.82436 2.83071 2.85288 2.85445 2.86111 2.86261 2.88554 2.88867 2.89335 2.90052 2.91434 2.92060 2.93966 2.94025 2.95648 2.96698 2.97442 2.98256 2.98972 3.00199 3.00760 3.01982 3.02341 3.03391 3.04670 3.05796 3.06594 3.07983 3.08770 3.09962 3.10735 3.11809 3.12499 3.13773 3.14771 3.15434 3.16246 3.17603 3.18184 3.18873 3.19850 3.20979 3.21479 3.22408 3.23195 3.24025 3.25451 3.25897 3.26392 3.27281 3.27624 3.27984 3.29100 3.29910 3.30836 3.32200 3.32699 3.32945 3.33661 3.35073 3.35680 3.36279 3.36590 3.37288 3.38315 3.38599 3.39523 3.40839 3.41251 3.42183 3.43180 3.43717 3.44455 3.45103 3.45918 3.46740 3.47968 3.48234 3.49244 3.49481 3.50578 3.51932 3.52392 3.52914 3.54906 3.55164 3.55929 3.56753 3.57428 3.58453 3.58612 3.59257 3.60122 3.61595 3.62754 3.63705 3.65046 3.65663 3.66343 3.67112 3.67600 3.68151 3.69794 3.70659 3.71976 3.72409 3.73297 3.73956 3.74662 3.75570 3.76847 3.77576 3.78211 3.79495 3.79515 3.81255 3.81651 3.82257 3.83040 3.84018 3.84351 3.84868 3.86035 3.87839 3.88905 3.89618 3.90337 3.91275 3.91646 3.91897 3.94006 3.94762 3.95653 3.96260 3.97103 3.98049 3.98476 3.99849 4.00466 4.00839 4.01149 4.02594 4.02830 4.04208 4.04968 4.05500 4.06035 4.06771 4.07575 4.09653 4.09969 4.11128 4.11821 4.12068 4.12782 4.13563 4.14791 4.14889 4.16362 4.17520 4.18000 4.18605 4.19774 4.20613 4.20955 4.21288 4.22094 4.22431 4.23880 4.24633 4.24752 4.26488 4.27120 4.27951 4.28355 4.29077 4.30482 4.30571 4.31213 4.31881 4.33000 4.33975 4.34419 4.36071 4.36865 4.37358 4.37758 4.39033 4.39626 4.39961 4.41644 4.43098 4.43815 4.44095 4.45093 4.47089 4.47903 4.48611 4.49103 4.49335 4.50773 4.51720 4.53441 4.54066 4.54537 4.55639 4.55801 4.57585 4.59199 4.59742 4.60670 4.61727 4.62999 4.63740 4.63868 4.64370 4.65930 4.68322 4.69334 4.69641 4.71392 4.71699 4.73780 4.74482 4.75938 4.76500 4.77858 4.78803 4.79815 4.80987 4.81469 4.83477 4.84226 4.85223 4.86439 4.87455 4.88756 4.89759 4.91092 4.92059 4.92883 4.94056 4.95279 4.96394 4.97168 4.97882 4.99575 4.99648 5.00558 5.02506 5.04368 5.04858 5.05818 5.06134 5.06537 5.07057 5.09271 5.09772 5.10399 5.11290 5.12409 5.13095 5.14481 5.15939 5.16689 5.17611 5.19417 5.20735 5.22827 5.23480 5.23923 5.25366 5.26454 5.28711 5.29834 5.30419 5.32134 5.34707 5.34997 5.35776 5.36156 5.39245 5.40899 5.42861 5.45048 5.45726 5.46217 5.48557 5.50052 5.51229 5.54178 5.55388 5.55738 5.56582 5.58003 5.59646 5.60698 5.61256 5.62236 5.64095 5.64579 5.65318 5.66406 5.67878 5.69494 5.70121 5.71400 5.73028 5.74626 5.76589 5.77315 5.79276 5.80582 5.82212 5.86178 5.86463 5.91676 5.91697 5.92879 5.94436 5.95649 6.03128 22.94323 23.10153 23.13290 23.35754 23.42509 23.46881 23.50664 23.51773 23.56895 23.59263 23.66708 23.70624 23.74550 -10.30695 -10.28918 -10.28469 -10.28365 -10.28227 -10.28143 -10.28019 -10.27915 -10.27894 -10.27719 -10.27640 -10.26929 -10.26680 -0.97615 -0.95660 -0.85522 -0.83222 -0.81845 -0.79667 -0.78167 -0.71438 -0.68568 -0.65461 -0.63565 -0.63108 -0.59811 -0.59277 -0.55982 -0.55658 -0.53509 -0.52811 -0.50432 -0.50225 -0.48165 -0.47715 -0.45157 -0.44444 -0.44123 -0.42595 -0.41716 -0.41581 -0.40994 -0.40826 -0.40150 -0.39751 -0.39676 -0.37795 -0.31406 -0.24715 0.02756 0.10408 0.11862 0.12292 0.13458 0.14429 0.14808 0.15362 0.16302 0.16811 0.17224 0.17590 0.18073 0.18452 0.19123 0.19940 0.20074 0.20325 0.21261 0.22745 0.23134 0.23770 0.24185 0.25182 0.26063 0.26712 0.26920 0.27278 0.27668 0.27966 0.28497 0.28540 0.30129 0.30834 0.31317 0.31430 0.32142 0.32636 0.33838 0.34701 0.35420 0.35725 0.37236 0.37974 0.39302 0.40504 0.40744 0.42203 0.42286 0.43310 0.43869 0.45125 0.45324 0.45799 0.46442 0.46919 0.47378 0.47930 0.48615 0.49192 0.49556 0.49793 0.50285 0.50766 0.50885 0.51307 0.51513 0.51924 0.52131 0.52528 0.52842 0.53194 0.53306 0.53789 0.54626 0.55127 0.55761 0.55980 0.56648 0.57099 0.57530 0.57568 0.58107 0.58637 0.59039 0.59412 0.60510 0.61212 0.61809 0.62949 0.63347 0.63464 0.64486 0.66540 0.68526 0.71439 0.72125 0.73205 0.73863 0.75130 0.77134 0.77640 0.79349 0.80777 0.81066 0.82566 0.83023 0.83844 0.85376 0.86240 0.87533 0.87613 0.88194 0.89990 0.90979 0.92590 0.93554 0.95001 0.95706 0.96950 0.97838 0.97895 0.98666 0.99111 0.99686 1.00180 1.00992 1.01568 1.02508 1.04421 1.04612 1.05535 1.05909 1.06927 1.07301 1.08584 1.09185 1.10314 1.10799 1.11266 1.12307 1.12940 1.14313 1.14557 1.15056 1.15637 1.16570 1.16857 1.17541 1.18334 1.19179 1.19347 1.19846 1.20645 1.21098 1.22525 1.23100 1.24256 1.24868 1.25232 1.26816 1.27465 1.28499 1.29019 1.29554 1.30663 1.30810 1.32242 1.32847 1.33417 1.34008 1.34309 1.35554 1.35905 1.36600 1.37544 1.37795 1.38885 1.39197 1.41234 1.41458 1.41894 1.42696 1.42911 1.44260 1.44953 1.46170 1.47723 1.47969 1.48391 1.48639 1.49485 1.50963 1.51034 1.51989 1.52708 1.53010 1.53621 1.54687 1.55204 1.55311 1.56114 1.57484 1.58242 1.58670 1.59973 1.60215 1.60896 1.63026 1.63603 1.64496 1.64894 1.65691 1.66981 1.67911 1.69308 1.70300 1.71385 1.71770 1.73575 1.74006 1.75128 1.75730 1.76646 1.77804 1.79073 1.79733 1.80517 1.82140 1.82897 1.83801 1.85057 1.85530 1.86457 1.87452 1.89590 1.90319 1.92526 1.93311 1.94408 1.97187 1.98559 2.00009 2.00587 2.02819 2.05699 2.07998 2.10118 2.10836 2.12981 2.14602 2.15641 2.17394 2.19004 2.21259 2.24041 2.25407 2.25949 2.28216 2.30567 2.31584 2.34529 2.36667 2.38598 2.39565 2.42849 2.43452 2.45329 2.48175 2.49634 2.51950 2.52086 2.53856 2.55094 2.56460 2.56553 2.57471 2.58459 2.59538 2.61343 2.63319 2.63794 2.64621 2.66109 2.67123 2.68183 2.69048 2.70293 2.71046 2.71357 2.72205 2.74507 2.75073 2.76202 2.77591 2.78710 2.79252 2.81170 2.82240 2.82604 2.83192 2.85188 2.85372 2.85943 2.86296 2.88568 2.88903 2.89335 2.90171 2.91420 2.92073 2.93905 2.93972 2.95571 2.96441 2.97332 2.98212 2.98966 3.00368 3.00811 3.01983 3.02280 3.03423 3.04747 3.05896 3.06477 3.08012 3.08887 3.10017 3.10654 3.11468 3.12396 3.13800 3.14891 3.15401 3.16178 3.17549 3.18174 3.18902 3.19769 3.20656 3.21418 3.22542 3.23438 3.24045 3.25251 3.25906 3.26351 3.27317 3.27550 3.28168 3.29057 3.29997 3.30908 3.32160 3.32726 3.33018 3.34084 3.35244 3.35828 3.36326 3.36573 3.37054 3.38144 3.38607 3.39500 3.40824 3.41453 3.42180 3.43108 3.43762 3.44503 3.45188 3.45613 3.46739 3.47912 3.48202 3.49235 3.49530 3.50539 3.51532 3.52461 3.52956 3.54830 3.55146 3.55855 3.56789 3.57449 3.58493 3.58597 3.59433 3.60153 3.61682 3.62897 3.63793 3.65124 3.65684 3.66288 3.67068 3.67510 3.68244 3.69869 3.70579 3.71932 3.72382 3.73348 3.73846 3.74512 3.75670 3.76865 3.77624 3.78256 3.79276 3.79410 3.81155 3.81635 3.82415 3.83213 3.84078 3.84343 3.84979 3.86061 3.88021 3.88954 3.89473 3.90347 3.91226 3.91499 3.91984 3.94032 3.94748 3.95767 3.96273 3.96910 3.97993 3.98480 3.99712 4.00498 4.00914 4.01155 4.02527 4.02764 4.04248 4.04919 4.05588 4.06013 4.06727 4.07604 4.09558 4.09931 4.11010 4.11902 4.12102 4.12782 4.13648 4.14830 4.14949 4.16381 4.17571 4.18023 4.18784 4.19809 4.20646 4.20987 4.21309 4.22081 4.22470 4.23930 4.24744 4.24813 4.26498 4.27150 4.27895 4.28322 4.29064 4.30596 4.30680 4.31287 4.31931 4.33097 4.34088 4.34525 4.36138 4.36967 4.37353 4.37860 4.39018 4.39689 4.40116 4.41771 4.43097 4.43857 4.44240 4.45100 4.47148 4.47907 4.48631 4.49150 4.49394 4.50909 4.51764 4.53326 4.54214 4.54619 4.55808 4.55939 4.57561 4.59190 4.59681 4.60753 4.61627 4.63111 4.63774 4.64054 4.64449 4.66258 4.68390 4.69401 4.69792 4.71396 4.71857 4.73936 4.74619 4.76072 4.76541 4.77907 4.78921 4.79854 4.81066 4.81585 4.83544 4.84239 4.85284 4.86613 4.87659 4.88731 4.89810 4.91107 4.91964 4.93043 4.94240 4.95113 4.96453 4.97347 4.97942 4.99676 4.99747 5.00586 5.02521 5.04272 5.04810 5.05826 5.06156 5.06595 5.07017 5.09353 5.09732 5.10317 5.11294 5.12476 5.13147 5.14625 5.15943 5.16639 5.17327 5.19328 5.20662 5.22575 5.23472 5.23914 5.25366 5.26674 5.28807 5.29953 5.30452 5.32017 5.34682 5.35054 5.35785 5.36174 5.39284 5.40859 5.42798 5.45128 5.45812 5.46189 5.48566 5.50078 5.51129 5.54129 5.55440 5.55631 5.56615 5.57848 5.59667 5.60815 5.61251 5.62204 5.64033 5.64510 5.65364 5.66413 5.67929 5.69450 5.70157 5.71420 5.73000 5.74609 5.76731 5.77288 5.79229 5.80656 5.82275 5.86170 5.86407 5.91703 5.91794 5.92873 5.94436 5.95704 6.03261 22.95077 23.09253 23.13491 23.35723 23.42553 23.46988 23.50711 23.51795 23.57012 23.59229 23.66708 23.70601 23.74556 1-A. 0.4935 0.2930 0.4375 0.7217 -81.8563 -81.3350 -82.2845 -1.1727 -0.8943 -1.1558 -0.0310 0.4903 -0.4592 -1.1727 -0.8943 -1.1558 1.7646 -1.3760 0.4994 -1.0570 -5.0928 -0.9899 4.4647 4.6056 1.2067 0.9690 -2899.0374 -548.6632 -463.4168 -15.8439 -6.6743 -7.5914 -4.1646 -0.4748 -5.7992 -573.6146 -556.6646 -168.5347 -1.9498 -9.6370 -1.7409 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 -507.084925891295 -507.166138652147 -0.081212760852 -507.248182780530 -0.082044128382 -507.260099590296 -0.011916809766 -507.261631946787 -0.001532356491 -507.262525905531 -0.000893958744 -507.262781138421 -0.000255232890 -507.262865419530 -0.000084281110 -507.262901102392 -0.000035682862 -507.262919547327 -0.000018444935 -507.262913971022 0.000005576305 -507.262925659028 -0.000011688006 -507.262926096050 -0.000000437022 -507.262926307565 -0.000000211515 -507.262926609701 -0.000000302136 -507.262926765035 -0.000000155334 -507.262926810521 -0.000000045486 -507.262926813355 -0.000000002834 -507.262926814044 -0.000000000690 -507.262926814156 -0.000000000112 -507.262926814159 -0.000000000003 -507.262926814 21 0.6721 5.041157377996e+02 -2.843105034122e+03 9.976531043693e+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. 0.6721 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 C C C H H H H H H H H H H C C C C C H H C H H C H H H H H H 13 13 13 13 13 13 1 1 1 1 1 1 1 1 1 1 13 13 13 13 13 1 1 13 1 1 13 1 1 1 1 1 1 0.06749 -0.00016 0.04944 -0.01285 0.00499 0.01264 0.01291 0.00205 0.00044 -0.00606 0.01266 0.00197 -0.00014 -0.00038 -0.00095 -0.00290 0.20574 -0.05999 -0.00533 -0.09939 0.02454 0.00048 -0.00109 0.01855 0.00093 0.00025 0.03648 0.00730 -0.00029 0.00079 0.00030 -0.01645 -0.00664 37.93496 -0.08905 27.79165 -7.22145 2.80631 7.10620 28.84248 4.57546 0.98069 -13.53926 28.29786 4.39769 -0.31476 -0.84326 -2.12305 -6.48309 115.64301 -33.71793 -2.99824 -55.86455 13.79346 1.07592 -2.44226 10.42932 2.07761 0.54800 20.50794 16.31867 -0.65068 1.76833 0.66369 -36.77382 -14.84300 13.53614 -0.03178 9.91675 -2.57679 1.00136 2.53567 10.29172 1.63264 0.34993 -4.83114 10.09738 1.56921 -0.11232 -0.30090 -0.75756 -2.31333 41.26430 -12.03140 -1.06985 -19.93386 4.92185 0.38392 -0.87146 3.72144 0.74134 0.19554 7.31774 5.82291 -0.23218 0.63098 0.23682 -13.12181 -5.29635 12.65374 -0.02970 9.27030 -2.40882 0.93609 2.37037 9.62082 1.52621 0.32712 -4.51621 9.43915 1.46691 -0.10499 -0.28128 -0.70817 -2.16252 38.57436 -11.24709 -1.00010 -18.63441 4.60100 0.35889 -0.81465 3.47885 0.69302 0.18279 6.84071 5.44332 -0.21704 0.58985 0.22138 -12.26643 -4.95109 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 -0.182748 -0.011141 -0.000740 0.001687 -0.004407 0.002153 -0.000397 -0.002109 0.003118 -0.022137 0.002317 0.002716 -0.002258 -0.001781 -0.004739 -0.002403 0.509505 0.026353 0.001794 0.224666 0.025751 0.004025 -0.001223 0.022574 0.004278 0.001189 0.004241 0.034939 0.001780 0.001236 0.000995 -0.005113 -0.007926 0.106311 0.019290 0.090753 -0.001449 0.009355 0.007735 0.001321 -0.002663 0.000544 0.002832 -0.001376 0.001729 0.000598 0.003083 0.004684 0.005547 -0.265180 0.023761 -0.002998 0.416810 -0.012996 -0.000215 -0.003885 -0.017162 -0.007716 0.001582 0.005885 -0.038577 0.002573 -0.000537 -0.001732 0.001936 0.003122 0.076437 -0.008149 -0.090013 -0.000238 -0.004948 -0.009887 -0.000924 0.004771 -0.003663 0.019305 -0.000941 -0.004445 0.001660 -0.001302 0.000056 -0.003144 -0.244326 -0.050114 0.001204 -0.641475 -0.012755 -0.003810 0.005108 -0.005412 0.003438 -0.002771 -0.010126 0.003638 -0.004353 -0.000699 0.000736 0.003177 0.004803 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 -0.063242 0.025616 0.318126 -0.003919 0.006992 -0.006740 -0.000999 0.000504 -0.004748 0.018362 -0.002905 -0.006187 -0.000049 -0.000962 0.001800 -0.000689 0.039269 0.004205 -0.000952 -0.037077 -0.004514 0.000963 -0.004144 0.004567 -0.001621 -0.003515 0.004464 0.028833 0.002508 0.000296 0.002333 0.006340 -0.000094 0.082962 0.016065 0.225653 0.004614 -0.007023 -0.001921 -0.001603 -0.004071 -0.000519 0.001373 0.004267 -0.001104 -0.000858 -0.000273 -0.001080 -0.003548 -0.156423 0.010927 0.004679 0.459610 -0.004008 -0.004473 -0.002172 -0.003615 0.002667 -0.001442 0.019422 0.016375 0.001821 -0.000722 0.000364 -0.006627 0.001146 0.024631 0.027820 0.256444 -0.002894 -0.009475 -0.003294 0.008384 -0.001065 0.001624 -0.020510 -0.001710 0.001297 -0.003033 -0.001638 0.001753 -0.001536 -0.022498 -0.015773 -0.009384 0.133222 -0.004937 -0.000849 -0.001348 -0.019195 -0.002694 -0.001105 -0.002315 0.019180 -0.002499 0.000176 -0.001589 0.003958 -0.001137 0.9388 0.2024 -0.2786 0.3254 -0.2567 0.9101 -0.1127 0.9451 0.3068 -0.221 0.0992 0.1218 -29.656 13.306 16.351 -10.582 4.748 5.834 -9.892 4.438 5.454 1 C 13 0.8676 -0.2166 -0.4477 0.2389 -0.608 0.7571 0.4361 0.7638 0.4758 -0.0258 -0.0254 0.0512 -3.465 -3.411 6.877 -1.237 -1.217 2.454 -1.156 -1.138 2.294 2 C 13 0.8145 -0.4413 -0.3767 0.0427 -0.6019 0.7974 0.5786 0.6655 0.4714 -0.2775 -0.2715 0.549 -37.235 -36.435 73.67 -13.286 -13.001 26.287 -12.42 -12.153 24.574 3 C 13 0.6992 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2.42849 2.43452 2.45329 2.48175 2.49634 2.51950 2.52086 2.53856 2.55094 2.56460 2.56553 2.57471 2.58459 2.59538 2.61343 2.63319 2.63794 2.64621 2.66109 2.67123 2.68183 2.69048 2.70293 2.71046 2.71357 2.72205 2.74507 2.75073 2.76202 2.77591 2.78710 2.79252 2.81170 2.82240 2.82604 2.83192 2.85188 2.85372 2.85943 2.86296 2.88568 2.88903 2.89335 2.90171 2.91420 2.92073 2.93905 2.93972 2.95571 2.96441 2.97332 2.98212 2.98966 3.00368 3.00811 3.01983 3.02280 3.03423 3.04747 3.05896 3.06477 3.08012 3.08887 3.10017 3.10654 3.11468 3.12396 3.13800 3.14891 3.15401 3.16178 3.17549 3.18174 3.18902 3.19769 3.20656 3.21418 3.22542 3.23438 3.24045 3.25251 3.25906 3.26351 3.27317 3.27550 3.28168 3.29057 3.29997 3.30908 3.32160 3.32726 3.33018 3.34084 3.35244 3.35828 3.36326 3.36573 3.37054 3.38144 3.38607 3.39500 3.40824 3.41453 3.42180 3.43108 3.43762 3.44503 3.45188 3.45613 3.46739 3.47912 3.48202 3.49235 3.49530 3.50539 3.51532 3.52461 3.52956 3.54830 3.55146 3.55855 3.56789 3.57449 3.58493 3.58597 3.59433 3.60153 3.61682 3.62897 3.63793 3.65124 3.65684 3.66288 3.67068 3.67510 3.68244 3.69869 3.70579 3.71932 3.72382 3.73348 3.73846 3.74512 3.75670 3.76865 3.77624 3.78256 3.79276 3.79410 3.81155 3.81635 3.82415 3.83213 3.84078 3.84343 3.84979 3.86061 3.88021 3.88954 3.89473 3.90347 3.91226 3.91499 3.91984 3.94032 3.94748 3.95767 3.96273 3.96910 3.97993 3.98480 3.99712 4.00498 4.00914 4.01155 4.02527 4.02764 4.04248 4.04919 4.05588 4.06013 4.06727 4.07604 4.09558 4.09931 4.11010 4.11902 4.12102 4.12782 4.13648 4.14830 4.14949 4.16381 4.17571 4.18023 4.18784 4.19809 4.20646 4.20987 4.21309 4.22081 4.22470 4.23930 4.24744 4.24813 4.26498 4.27150 4.27895 4.28322 4.29064 4.30596 4.30680 4.31287 4.31931 4.33097 4.34088 4.34525 4.36138 4.36967 4.37353 4.37860 4.39018 4.39689 4.40116 4.41771 4.43097 4.43857 4.44240 4.45100 4.47148 4.47907 4.48631 4.49150 4.49394 4.50909 4.51764 4.53326 4.54214 4.54619 4.55808 4.55939 4.57561 4.59190 4.59681 4.60753 4.61627 4.63111 4.63774 4.64054 4.64449 4.66258 4.68390 4.69401 4.69792 4.71396 4.71857 4.73936 4.74619 4.76072 4.76541 4.77907 4.78921 4.79854 4.81066 4.81585 4.83544 4.84239 4.85284 4.86613 4.87659 4.88731 4.89810 4.91107 4.91964 4.93043 4.94240 4.95113 4.96453 4.97347 4.97942 4.99676 4.99747 5.00586 5.02521 5.04272 5.04810 5.05826 5.06156 5.06595 5.07017 5.09353 5.09732 5.10317 5.11294 5.12476 5.13147 5.14625 5.15943 5.16639 5.17327 5.19328 5.20662 5.22575 5.23472 5.23914 5.25366 5.26674 5.28807 5.29953 5.30452 5.32017 5.34682 5.35054 5.35785 5.36174 5.39284 5.40859 5.42798 5.45128 5.45812 5.46189 5.48566 5.50078 5.51129 5.54129 5.55440 5.55631 5.56615 5.57848 5.59667 5.60815 5.61251 5.62204 5.64033 5.64510 5.65364 5.66413 5.67929 5.69450 5.70157 5.71420 5.73000 5.74609 5.76731 5.77288 5.79229 5.80656 5.82275 5.86170 5.86407 5.91703 5.91794 5.92873 5.94436 5.95704 6.03261 22.95077 23.09253 23.13491 23.35723 23.42553 23.46988 23.50711 23.51795 23.57012 23.59229 23.66708 23.70601 23.74556 1-A. 0.4935 0.2930 0.4375 0.7217 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(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 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(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 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