Gaussian 16 20-Jun-2026 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 28 28 44 44 596 (5D, 7F) def2TZVPP 78 C1[X(C12H16)] UwB97XD def2TZVPP Stability #p uwb97xd/def2TZVPP stable=opt guess=(mix,always) Int=UltraFine 144.1284 0 1 AuxInfo=1/0/N:1;2;3;4;5;12;13;14;15;16;19;22;6;7;8;9;10;11;17;18;20;21;23;24;25;26;27;28/rA:28nC0C0C0C0C0H0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.6505,-.05,.0492;2.3726,-1.2194,-.5689;3.2344,-.0398,-.1367;2.5736,.0857,1.232;2.3367,1.0022,-.7913;2.2444,-1.3808,-1.644;2.4345,-2.1374,.0238;2.6505,-.7707,1.9092;2.6227,1.0614,1.7259;2.2071,.9443,-1.8767;2.3766,2.0209,-.3927;-.5633,-.0464,.2276;-.9738,1.3667,.5961;-1.0924,-.2082,-1.1967;-1.2173,-1.0041,1.005;-2.4618,1.2603,.0683;-.9292,1.5672,1.6756;-.3986,2.1442,.066;-2.5376,-.1034,-.7024;-.8447,-1.1782,-1.6523;-.7817,.6029,-1.8728;-2.5261,-1.3102,.2829;-1.1847,-.9617,2.0987;-3.186,1.3009,.8965;-2.6999,2.0876,-.6175;-3.3387,-.1275,-1.4582;-2.5818,-2.2666,-.2707;-3.363,-1.3061,.9999; /opt/g16/c02-avx2/g16/g16 /opt/g16/c02-avx2/g16/l1.exe "/fast/scratch/foo/job_732_H-TS-propellane-ABO-fo_tight_redo_stableSP/Gau-47451.inp" -scrdir="/fast/scratch/foo/job_732_H-TS-propellane-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 12 12 12 12 12 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 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 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 (Enter /opt/g16/c02-avx2/g16/l101.exe) 0.10000e-02 0.10000e-05 F 672 A 596 A 884 672 701.6279703936 28 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 -0.0212237540 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 0 144.1284 AuxInfo=1/0/N:1;2;3;4;5;12;13;14;15;16;19;22;6;7;8;9;10;11;17;18;20;21;23;24;25;26;27;28/rA:28nC0C0C0C0C0H0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.6505,-.05,.0492;2.3726,-1.2194,-.5689;3.2344,-.0398,-.1367;2.5736,.0857,1.232;2.3367,1.0022,-.7912;2.2444,-1.3808,-1.644;2.4345,-2.1374,.0239;2.6505,-.7707,1.9092;2.6227,1.0614,1.7259;2.2071,.9442,-1.8767;2.3766,2.0209,-.3927;-.5633,-.0464,.2275;-.9738,1.3667,.5961;-1.0924,-.2082,-1.1967;-1.2173,-1.0041,1.005;-2.4618,1.2603,.0683;-.9292,1.5672,1.6756;-.3986,2.1442,.066;-2.5376,-.1034,-.7024;-.8447,-1.1782,-1.6523;-.7817,.6029,-1.8728;-2.5261,-1.3102,.2829;-1.1847,-.9617,2.0987;-3.186,1.3008,.8965;-2.6999,2.0876,-.6175;-3.3387,-.1275,-1.4582;-2.5818,-2.2666,-.2707;-3.3629,-1.3061,.9999; 0.000000 1.506949 0.000000 1.594784 1.523483 0.000000 1.506555 2.233178 1.525065 0.000000 1.511389 2.232962 1.523101 2.233750 0.000000 2.233903 1.094615 2.247211 3.245017 2.532587 0.000000 2.229871 1.094482 2.250652 2.533958 3.245099 1.841275 0.000000 2.231433 2.533764 2.249709 1.094503 3.245637 3.628014 2.338618 0.000000 2.234220 3.245090 2.248540 1.094658 2.533985 4.178862 3.628251 1.841441 0.000000 2.237717 2.533580 2.247427 3.245840 1.094685 2.336919 3.627696 4.179823 3.628323 0.000000 2.238595 3.245088 2.246681 2.534493 1.094619 3.626880 4.179477 3.628648 2.338728 1.841191 0.000000 2.220915 3.260264 3.815053 3.296400 3.247651 3.628517 3.660613 3.698757 3.690860 3.617240 3.647137 0.000000 3.032022 4.386732 4.497105 3.824868 3.607915 4.787832 4.921637 4.407774 3.782144 4.051117 3.554067 1.516988 0.000000 3.016694 3.663665 4.457858 4.407312 3.658949 3.564989 4.201231 4.896157 4.894378 3.560525 4.201106 1.527957 2.389212 0.000000 3.169876 3.925675 4.695834 3.950962 4.458991 4.375242 3.947504 3.978937 4.419432 4.881312 4.901096 1.396191 2.418068 2.344500 0.000000 4.316022 5.470467 5.846218 5.299911 4.881677 5.661758 5.959857 5.800813 5.351539 5.067708 4.919484 2.310274 1.582356 2.373195 2.748407 0.000000 3.451866 4.868745 4.816835 3.828963 4.131644 5.457284 5.269392 4.281843 3.588030 4.779479 3.925842 2.198794 1.098950 3.380700 2.672895 2.242036 0.000000 3.002277 4.404134 4.243735 3.798820 3.085609 4.725989 5.134211 4.603376 3.613282 3.464665 2.815610 2.202743 1.102894 2.758546 3.385812 2.244531 1.790324 0.000000 4.255265 5.037128 5.799910 5.468230 4.998835 5.038417 5.420889 5.846519 5.820752 4.998858 5.362612 2.183091 2.508430 1.530974 2.338731 1.568219 3.321571 3.196411 0.000000 3.223923 3.395053 4.497973 4.647741 3.951792 3.095805 3.805656 5.006714 5.333895 3.724091 4.711428 2.212204 3.398224 1.099853 2.688960 3.394318 4.315010 3.766909 2.218815 0.000000 3.167931 3.869166 4.422195 4.600589 3.324703 3.625590 4.631474 5.288721 4.974974 3.008300 3.765158 2.209242 2.591403 1.100675 3.324745 2.649991 3.680054 2.506233 2.225201 1.795766 0.000000 4.368822 4.973037 5.913812 5.371824 5.490683 5.145484 5.035812 5.452850 5.849510 5.670087 5.965687 2.335144 3.110155 2.336465 1.525849 2.580200 3.573423 4.062736 1.557943 2.566986 3.368904 0.000000 3.615269 4.453882 5.037409 3.996652 4.960744 5.093367 4.334292 3.844650 4.327631 5.562479 5.271289 2.173730 2.779152 3.381708 1.094971 3.269670 2.576762 3.794253 3.226911 3.772586 4.287535 2.284292 0.000000 5.092612 6.276727 6.639747 5.895962 5.782578 6.567733 6.646305 6.275485 5.872497 6.074885 5.755335 3.023517 2.233472 3.323009 3.033217 1.100995 2.402370 3.028309 2.224634 4.257205 3.733215 2.762135 3.251070 0.000000 4.892834 6.055479 6.322371 5.936181 5.155153 6.126153 6.680134 6.571236 5.905457 5.193444 5.081939 3.135866 2.229760 2.861916 3.793354 1.100676 2.943615 2.401308 2.198659 3.895881 2.731204 3.519353 4.355680 1.774183 0.000000 5.212488 5.882332 6.705152 6.499068 5.825031 5.725098 6.290175 6.900998 6.862187 5.663933 6.198035 3.248286 3.470574 2.262943 3.366930 2.241636 4.300997 4.015922 1.101647 2.713231 2.691367 2.256163 4.241093 2.758274 2.453860 0.000000 4.788275 5.072599 6.229307 5.862544 5.928513 5.095394 5.026610 5.862312 6.492174 5.985199 6.556175 3.041680 4.066619 2.704215 2.254598 3.545187 4.606247 4.933017 2.206321 2.472024 3.747119 1.106492 3.044429 3.801875 4.369622 2.561045 0.000000 5.255086 5.946832 6.813208 6.101916 6.404843 6.199859 5.937521 6.105319 6.477631 6.660672 6.778712 3.165664 3.607562 3.344526 2.166787 2.875126 3.825673 4.643680 2.241781 3.659494 4.308029 1.101994 2.463846 2.614977 3.817459 2.726143 1.774031 0.000000 C12H16 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 0 144.1284 AuxInfo=1/0/N:1;2;3;4;5;12;13;14;15;16;19;22;6;7;8;9;10;11;17;18;20;21;23;24;25;26;27;28/rA:28nC0C0C0C0C0H0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.6505,-.05,.0492;2.3726,-1.2194,-.5689;3.2344,-.0398,-.1367;2.5736,.0857,1.232;2.3367,1.0022,-.7912;2.2444,-1.3808,-1.644;2.4345,-2.1374,.0239;2.6505,-.7707,1.9092;2.6227,1.0614,1.7259;2.2071,.9442,-1.8767;2.3766,2.0209,-.3927;-.5633,-.0464,.2275;-.9738,1.3667,.5961;-1.0924,-.2082,-1.1967;-1.2173,-1.0041,1.005;-2.4618,1.2603,.0683;-.9292,1.5672,1.6756;-.3986,2.1442,.066;-2.5376,-.1034,-.7024;-.8447,-1.1782,-1.6523;-.7817,.6029,-1.8728;-2.5261,-1.3102,.2829;-1.1847,-.9617,2.0987;-3.186,1.3008,.8965;-2.6999,2.0876,-.6175;-3.3387,-.1275,-1.4582;-2.5818,-2.2666,-.2707;-3.3629,-1.3061,.9999; 2.0795251 0.6067589 0.5796695 -10.32622 -10.31695 -10.30965 -10.30707 -10.30669 -10.29327 -10.28949 -10.28704 -10.28370 -10.28293 -10.27248 -10.26181 -1.07517 -0.98311 -0.83476 -0.80827 -0.79609 -0.79529 -0.78320 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0.84429 0.85812 0.87588 0.89633 0.91208 0.92529 0.92981 0.94074 0.95074 0.95931 0.96723 0.97628 0.98269 0.99155 1.00469 1.01724 1.02318 1.03306 1.04210 1.04492 1.05868 1.06184 1.06842 1.07174 1.07868 1.09323 1.09783 1.10014 1.10722 1.11458 1.11678 1.13342 1.14961 1.15195 1.15802 1.16118 1.16903 1.17173 1.17963 1.19344 1.19617 1.20735 1.21540 1.22105 1.22971 1.23651 1.24683 1.26379 1.27470 1.27809 1.28509 1.29294 1.30003 1.31377 1.31897 1.33278 1.33875 1.35452 1.36075 1.36450 1.36891 1.38175 1.38720 1.39249 1.40445 1.41047 1.41224 1.42001 1.42720 1.44157 1.45632 1.46888 1.47663 1.48647 1.49031 1.49961 1.50365 1.51165 1.51723 1.52812 1.53181 1.53898 1.54798 1.55940 1.58011 1.59010 1.59402 1.60699 1.61680 1.62555 1.63199 1.64955 1.65974 1.68344 1.69039 1.69779 1.71834 1.72610 1.73293 1.73843 1.74951 1.77341 1.79066 1.80745 1.81236 1.82211 1.82707 1.84208 1.85966 1.87243 1.89643 1.91036 1.93269 1.96167 1.97043 1.97712 1.98800 2.00264 2.00344 2.02433 2.04257 2.07715 2.10685 2.11004 2.11573 2.12905 2.14761 2.17666 2.19482 2.24574 2.25060 2.26481 2.28142 2.30319 2.31243 2.38979 2.40517 2.40937 2.41452 2.45256 2.46254 2.46835 2.47369 2.50548 2.52256 2.53482 2.55390 2.57015 2.57915 2.58520 2.59173 2.60485 2.61940 2.62558 2.63054 2.65087 2.66232 2.67469 2.68585 2.70295 2.70935 2.71706 2.73222 2.75448 2.76391 2.77882 2.78529 2.78860 2.79346 2.79723 2.81576 2.82090 2.83520 2.84901 2.86570 2.86930 2.90166 2.90403 2.91702 2.93338 2.94858 2.95932 2.97039 2.97882 2.98812 2.99786 3.01654 3.02805 3.02961 3.04443 3.05595 3.06076 3.06459 3.06624 3.07031 3.08294 3.09805 3.10637 3.11673 3.11927 3.12456 3.13341 3.14070 3.15462 3.18045 3.19434 3.20271 3.20694 3.22315 3.23805 3.24768 3.25221 3.25933 3.26584 3.28109 3.28509 3.30595 3.31123 3.31601 3.32276 3.33280 3.34430 3.35142 3.36157 3.36499 3.37982 3.39375 3.39903 3.40475 3.41390 3.43176 3.43256 3.44121 3.44794 3.45038 3.46457 3.47192 3.47537 3.49232 3.49588 3.49647 3.50454 3.51611 3.52242 3.53631 3.54231 3.54949 3.55481 3.56872 3.58362 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4.92867 4.94033 4.95903 4.97018 4.98457 4.99536 5.00421 5.01210 5.02062 5.03526 5.04460 5.04831 5.05905 5.06976 5.08060 5.08431 5.08497 5.09918 5.11092 5.12128 5.13367 5.14265 5.15537 5.15855 5.17360 5.19507 5.20310 5.22240 5.23290 5.25693 5.26672 5.27487 5.28059 5.28435 5.33978 5.36072 5.38573 5.40786 5.41546 5.42472 5.45157 5.47262 5.47900 5.50097 5.52924 5.54789 5.55753 5.56290 5.57129 5.59836 5.60134 5.61768 5.62626 5.62847 5.64398 5.64961 5.67544 5.69786 5.74667 5.76037 5.76338 5.82203 5.82701 5.84495 5.86562 5.90017 5.93546 5.94930 22.56216 22.85955 23.06959 23.20737 23.38164 23.43153 23.47771 23.52742 23.58342 23.59032 23.62064 23.70244 -10.32752 -10.31395 -10.30948 -10.30680 -10.30641 -10.28945 -10.28798 -10.28719 -10.28329 -10.28231 -10.27263 -10.26834 -1.07311 -0.98191 -0.83690 -0.80846 -0.79519 -0.79424 -0.78375 -0.69226 -0.65739 -0.63839 -0.63207 -0.60150 -0.56541 -0.56476 -0.56416 -0.53887 -0.53650 -0.48721 -0.46051 -0.44998 -0.44846 -0.44734 -0.44389 -0.42385 -0.41765 -0.41447 -0.40670 -0.40349 -0.40058 -0.38229 -0.35258 -0.25686 0.01510 0.10457 0.11753 0.13010 0.13846 0.13931 0.15061 0.15541 0.16290 0.16797 0.17382 0.18150 0.18462 0.19067 0.19399 0.20363 0.20773 0.21558 0.21824 0.22031 0.22872 0.23995 0.25018 0.25672 0.26081 0.27146 0.27551 0.27831 0.28052 0.28152 0.29782 0.30014 0.31169 0.31490 0.32041 0.32320 0.33667 0.34337 0.35082 0.38462 0.39134 0.40209 0.41780 0.43095 0.43459 0.43748 0.44177 0.44722 0.45531 0.46136 0.46424 0.47239 0.47732 0.47877 0.48408 0.48939 0.49035 0.49747 0.50242 0.50657 0.51045 0.51264 0.52011 0.52392 0.52901 0.53316 0.54001 0.54039 0.54496 0.54940 0.55460 0.55773 0.56190 0.56909 0.57220 0.57823 0.58136 0.59110 0.60454 0.61329 0.62257 0.63152 0.65002 0.65423 0.66911 0.69533 0.70997 0.71608 0.71966 0.73871 0.74375 0.75803 0.77552 0.79361 0.81013 0.81750 0.83046 0.84439 0.85761 0.87672 0.89597 0.91075 0.92569 0.93011 0.94163 0.95079 0.95872 0.96737 0.97545 0.98206 0.99032 1.00489 1.01746 1.02392 1.03186 1.04175 1.04488 1.05818 1.06134 1.07044 1.07223 1.07895 1.09400 1.09772 1.10025 1.10762 1.11462 1.11712 1.13444 1.14939 1.15220 1.15757 1.16266 1.16884 1.17187 1.18045 1.19402 1.19524 1.20795 1.21558 1.22211 1.23037 1.23695 1.24755 1.26470 1.27554 1.27812 1.28594 1.29398 1.30083 1.31551 1.32101 1.33026 1.33856 1.35448 1.36038 1.36457 1.36876 1.38141 1.38634 1.39249 1.40358 1.41013 1.41203 1.41996 1.42665 1.44204 1.45566 1.46913 1.47787 1.48681 1.49079 1.49994 1.50384 1.51162 1.51717 1.52841 1.53148 1.53940 1.54819 1.55993 1.58037 1.58915 1.59289 1.60735 1.61693 1.62538 1.63148 1.64670 1.65975 1.68372 1.69068 1.69640 1.71912 1.72535 1.73202 1.73913 1.74897 1.77454 1.79063 1.80871 1.81244 1.82177 1.82608 1.84274 1.86003 1.87247 1.89572 1.91310 1.93215 1.96157 1.96985 1.97602 1.98846 2.00236 2.00607 2.02572 2.04108 2.07770 2.10675 2.11043 2.11125 2.13043 2.14510 2.17608 2.19602 2.24542 2.25082 2.26513 2.28268 2.30451 2.31402 2.39048 2.40512 2.41037 2.41411 2.45330 2.46408 2.46740 2.47408 2.50768 2.52233 2.53468 2.55730 2.56986 2.57942 2.58661 2.59262 2.60637 2.62044 2.62693 2.63196 2.65069 2.66183 2.67468 2.68597 2.70312 2.71173 2.71710 2.73165 2.75581 2.76348 2.77902 2.78524 2.78892 2.79276 2.79730 2.81562 2.82067 2.83451 2.84722 2.86581 2.86985 2.90105 2.90246 2.91657 2.93194 2.94893 2.95928 2.97090 2.97914 2.98841 2.99822 3.01741 3.02652 3.02926 3.04572 3.05726 3.06241 3.06498 3.06746 3.07047 3.08362 3.09642 3.10637 3.11424 3.11980 3.12479 3.13399 3.13983 3.15325 3.17986 3.19411 3.20008 3.20692 3.22213 3.23749 3.24542 3.25174 3.25837 3.26684 3.28087 3.28592 3.30542 3.31130 3.31595 3.32310 3.33309 3.34289 3.35204 3.36067 3.36261 3.38106 3.39466 3.39952 3.40526 3.41552 3.43181 3.43520 3.44162 3.44605 3.45065 3.46409 3.47227 3.47573 3.49195 3.49614 3.49740 3.50413 3.51711 3.52203 3.53598 3.54172 3.54937 3.55552 3.56830 3.58448 3.60370 3.62016 3.62662 3.63368 3.64811 3.65890 3.66712 3.67536 3.68068 3.68357 3.69045 3.70255 3.70424 3.72576 3.73106 3.73721 3.75774 3.78046 3.78724 3.80016 3.81468 3.82488 3.83776 3.84190 3.84524 3.85424 3.87092 3.88833 3.89201 3.89740 3.90416 3.91142 3.91643 3.92153 3.93526 3.95188 3.95616 3.96825 3.97126 3.97745 3.98580 4.00354 4.01737 4.02833 4.03597 4.04095 4.04517 4.07618 4.07941 4.09804 4.10227 4.10580 4.12745 4.13126 4.13953 4.14615 4.14973 4.16055 4.16480 4.16576 4.16909 4.18432 4.19498 4.20026 4.20663 4.20873 4.21585 4.22664 4.23070 4.24053 4.25253 4.26523 4.26946 4.27567 4.28904 4.29210 4.30009 4.32002 4.33085 4.34388 4.35707 4.37001 4.38820 4.40047 4.40441 4.41043 4.42214 4.44528 4.45950 4.46935 4.47426 4.49462 4.49927 4.52331 4.53078 4.54863 4.55315 4.55614 4.56791 4.57608 4.58834 4.60425 4.61845 4.63877 4.64535 4.65242 4.66601 4.68182 4.70222 4.71027 4.72517 4.73903 4.75901 4.76413 4.79755 4.80872 4.82371 4.83936 4.85298 4.85552 4.88341 4.89470 4.90114 4.90303 4.91011 4.92964 4.94143 4.95887 4.96999 4.98603 4.99612 5.00357 5.01205 5.01932 5.03556 5.04448 5.04901 5.05883 5.07027 5.08049 5.08470 5.08542 5.09950 5.11114 5.12265 5.13388 5.14296 5.15486 5.15840 5.17300 5.19387 5.20636 5.22321 5.23307 5.25443 5.26713 5.27562 5.28117 5.28379 5.33928 5.36068 5.38538 5.40798 5.41577 5.42502 5.45150 5.47273 5.47985 5.49998 5.52779 5.54722 5.55774 5.56272 5.57044 5.59857 5.60124 5.61756 5.62626 5.62819 5.64321 5.64964 5.67524 5.69803 5.74593 5.76051 5.76280 5.82233 5.82731 5.84462 5.86581 5.90039 5.93542 5.94940 22.56623 22.86393 23.06446 23.20400 23.38251 23.43211 23.47869 23.52836 23.58392 23.59050 23.62007 23.70252 1-A. -0.9191 0.6707 -0.1356 1.1458 -81.6242 -72.6512 -70.8231 -0.2749 0.8090 0.6018 -6.5914 2.3816 4.2097 -0.2749 0.8090 0.6018 -55.7452 3.1543 1.1703 6.7239 -0.3989 6.9172 3.3241 0.7836 -2.6890 -0.2001 -2404.2712 -512.1466 -386.0442 1.8948 17.9673 -1.8635 4.0983 -3.1707 0.7989 -434.1449 -409.8953 -148.6084 -1.6243 7.4524 -2.2825 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= 668 668 668 668 668 MxSgAt= 28 MxSgA2= 28. 1 open 1 0 1 -466.494084737867 -466.571829192955 -0.077744455088 -466.657659114089 -0.085829921134 -466.666655061670 -0.008995947581 -466.668917399977 -0.002262338306 -466.670131140715 -0.001213740738 -466.670706033373 -0.000574892658 -466.670959511107 -0.000253477734 -466.671242704070 -0.000283192963 -466.671356216692 -0.000113512622 -466.671393588126 -0.000037371434 -466.671402077373 -0.000008489247 -466.671317516094 0.000084561279 -466.671325489329 -0.000007973235 -466.671325666956 -0.000000177627 -466.671325741389 -0.000000074434 -466.671325825277 -0.000000083888 -466.671325881522 -0.000000056245 -466.671325906325 -0.000000024803 -466.671325915695 -0.000000009370 -466.671325924892 -0.000000009197 -466.671325934099 -0.000000009207 -466.671325937422 -0.000000003323 -466.671325937906 -0.000000000484 -466.671325937932 -0.000000000026 -466.671325938 25 0.3443 4.638988957274e+02 -2.484050621900e+03 8.518736535946e+02 Using DIIS extrapolation, IDIIS= 1040. NGot= 64424509440 LenX= 64423556730 LenY= 64423104474 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. 0.3443 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 C C C C C 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 1 1 1 1 1 1 13 13 13 13 13 1 1 13 1 1 13 1 1 1 1 1 1 0.00552 -0.00041 0.06160 -0.00046 -0.00013 -0.00017 -0.00024 -0.00022 -0.00019 -0.00004 -0.00003 0.13849 -0.04372 -0.00318 -0.07532 0.02195 0.00048 -0.00035 0.01687 0.00096 0.00014 0.03065 0.00491 -0.00030 0.00101 0.00037 -0.01117 -0.00402 3.10404 -0.23240 34.62233 -0.25783 -0.07037 -0.38710 -0.53368 -0.48221 -0.41741 -0.09390 -0.06612 77.84621 -24.57500 -1.78859 -42.33674 12.34071 1.08054 -0.78524 9.48309 2.13998 0.31376 17.22926 10.96702 -0.68137 2.26645 0.81761 -24.95887 -8.98611 1.10760 -0.08293 12.35411 -0.09200 -0.02511 -0.13813 -0.19043 -0.17206 -0.14894 -0.03350 -0.02359 27.77746 -8.76897 -0.63821 -15.10680 4.40347 0.38556 -0.28019 3.38380 0.76360 0.11196 6.14783 3.91330 -0.24313 0.80872 0.29174 -8.90595 -3.20647 1.03540 -0.07752 11.54877 -0.08600 -0.02347 -0.12912 -0.17802 -0.16085 -0.13923 -0.03132 -0.02206 25.96670 -8.19734 -0.59661 -14.12202 4.11642 0.36043 -0.26193 3.16322 0.71382 0.10466 5.74706 3.65820 -0.22728 0.75601 0.27273 -8.32538 -2.99744 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 -0.120495 0.029950 0.260308 0.029145 0.020610 -0.000031 -0.002255 -0.002043 -0.000897 0.000559 -0.000232 0.483834 0.015212 -0.000953 0.023062 0.022114 0.002893 -0.001954 0.021546 0.000936 -0.000559 0.002911 0.024440 0.001923 0.000999 0.001165 -0.000721 -0.005217 0.061230 -0.013849 -0.133347 -0.017663 -0.009590 -0.001152 0.003890 -0.000479 -0.000033 -0.002012 0.002478 -0.247283 -0.032387 -0.004197 -0.300536 -0.012973 -0.002680 0.003908 -0.012587 0.001423 -0.002796 -0.004826 0.011242 -0.003687 -0.000248 -0.000166 0.003000 0.002698 0.059265 -0.016101 -0.126961 -0.011482 -0.011020 0.001183 -0.001635 0.002523 0.000930 0.001453 -0.002246 -0.236552 0.017175 0.005150 0.277473 -0.009141 -0.000213 -0.001954 -0.008959 -0.002359 0.003355 0.001915 -0.035683 0.001764 -0.000751 -0.000999 -0.002279 0.002519 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 -0.004848 0.003139 0.007993 0.000150 -0.002759 0.000664 0.001812 0.000419 -0.002077 -0.000641 -0.002702 -0.076605 0.010586 0.000856 0.422708 -0.003354 -0.002581 -0.002241 -0.000131 0.001139 -0.001249 0.018454 0.019058 0.001756 -0.000611 0.000442 -0.003293 -0.000327 0.022799 -0.004998 -0.049840 -0.007818 -0.000883 0.003191 -0.000116 -0.001617 -0.001225 0.002814 -0.000616 0.045988 -0.000708 0.003585 0.077347 0.007482 -0.000689 0.002738 -0.001212 0.002252 0.001809 0.000728 -0.006682 -0.002043 0.000074 -0.001117 -0.005237 -0.001688 0.000936 0.001728 -0.001057 0.000472 -0.001631 0.002555 -0.001759 -0.003098 0.003173 -0.001294 0.000416 0.006933 0.001452 0.006406 -0.142277 0.003456 0.000672 0.001809 0.015305 0.004964 -0.000703 0.002320 -0.007178 0.000759 -0.000668 0.001323 -0.003225 0.000938 0.9919 0.0267 -0.1239 -0.0684 0.9357 -0.3462 0.1067 0.3518 0.93 -0.1235 0.0612 0.0622 -16.569 8.218 8.351 -5.912 2.932 2.98 -5.527 2.741 2.786 1 C 13 0.1226 -0.4812 0.868 -0.0074 0.8741 0.4857 0.9924 0.0659 -0.1036 -0.0178 -0.0129 0.0307 -2.384 -1.733 4.117 -0.851 -0.618 1.469 -0.795 -0.578 1.373 2 C 13 0.0026 0.9839 0.1787 0.1272 -0.1776 0.9759 0.9919 0.0201 -0.1256 -0.1335 -0.1333 0.2668 -17.917 -17.883 35.8 -6.393 -6.381 12.774 -5.976 -5.965 11.941 3 C 13 -0.0199 0.9947 -0.1004 0.1816 0.1024 0.978 0.9832 0.0013 -0.1826 -0.0177 -0.0129 0.0306 -2.377 -1.729 4.106 -0.848 -0.617 1.465 -0.793 -0.577 1.37 4 C 13 0.0701 0.5742 0.8157 0.0593 0.8139 -0.578 0.9958 -0.0889 -0.023 -0.0122 -0.0086 0.0209 -1.643 -1.158 2.801 -0.586 -0.413 1.0 -0.548 -0.386 0.934 5 C 13 -0.4929 -0.5755 0.6525 -0.6785 0.7237 0.1258 0.5446 0.3808 0.7472 -0.0035 -0.0013 0.0048 -1.857 -0.71 2.567 -0.663 -0.253 0.916 -0.619 -0.237 0.856 6 H 1 0.8641 -0.3294 -0.3805 0.4408 0.1306 0.8881 0.2428 0.9351 -0.2581 -0.0029 -0.002 0.0048 -1.544 -1.041 2.586 -0.551 -0.372 0.923 -0.515 -0.347 0.862 7 H 1 0.6875 0.5235 0.5034 0.6899 -0.6871 -0.2277 -0.2267 -0.5038 0.8335 -0.0029 -0.0019 0.0048 -1.551 -1.028 2.58 -0.554 -0.367 0.921 -0.517 -0.343 0.861 8 H 1 0.4541 0.7648 -0.4571 0.8025 -0.1282 0.5828 -0.3871 0.6314 0.6719 -0.0032 -0.0015 0.0046 -1.688 -0.776 2.464 -0.602 -0.277 0.879 -0.563 -0.259 0.822 9 H 1 -0.226 0.8671 0.4439 0.7487 0.4461 -0.4903 0.6232 -0.2216 0.7501 -0.0025 -0.0017 0.0042 -1.338 -0.889 2.227 -0.477 -0.317 0.795 -0.446 -0.296 0.743 10 H 1 0.4436 0.1679 0.8803 0.725 0.5102 -0.4627 -0.5268 0.8435 0.1046 -0.0025 -0.0017 0.0042 -1.322 -0.928 2.25 -0.472 -0.331 0.803 -0.441 -0.31 0.75 11 H 1 0.1189 0.8769 -0.4657 -0.0064 0.4696 0.8828 0.9929 -0.102 0.0615 -0.2613 -0.2332 0.4945 -35.071 -31.293 66.364 -12.514 -11.166 23.68 -11.698 -10.438 22.137 12 C 13 -0.2079 0.9777 -0.0302 0.5772 0.1475 0.8031 0.7897 0.1495 -0.595 -0.0347 0.0169 0.0177 -4.654 2.272 2.382 -1.661 0.811 0.85 -1.552 0.758 0.795 13 C 13 0.1462 0.8665 -0.4772 0.9354 -0.2781 -0.2184 0.322 0.4144 0.8512 -0.0076 -0.002 0.0096 -1.017 -0.274 1.292 -0.363 -0.098 0.461 -0.339 -0.092 0.431 14 C 13 -0.5552 0.8127 0.1766 0.5937 0.2386 0.7685 -0.5824 -0.5316 0.615 -0.6203 0.2931 0.3272 -83.232 39.325 43.907 -29.699 14.032 15.667 -27.763 13.117 14.646 15 C 13 0.1823 0.7953 -0.5781 -0.1298 0.6023 0.7877 0.9746 -0.0685 0.213 -0.0163 -0.0077 0.024 -2.181 -1.037 3.218 -0.778 -0.37 1.148 -0.728 -0.346 1.074 16 C 13 0.351 0.93 -0.1089 0.2285 0.0277 0.9732 0.9081 -0.3665 -0.2028 -0.0037 -4.0E-4 0.0041 -1.992 -0.19 2.182 -0.711 -0.068 0.778 -0.664 -0.063 0.728 17 H 1 0.6865 0.2899 -0.6668 0.6808 0.0655 0.7295 -0.2552 0.9548 0.1525 -0.0056 8.0E-4 0.0048 -2.966 0.408 2.559 -1.058 0.145 0.913 -0.989 0.136 0.853 18 H 1 -0.0148 0.7472 -0.6645 0.0584 0.6641 0.7454 0.9982 -0.0278 -0.0535 -0.0262 0.0046 0.0216 -3.515 0.615 2.9 -1.254 0.219 1.035 -1.173 0.205 0.967 19 C 13 -0.1829 -0.5267 0.8301 0.8896 -0.4481 -0.0883 0.4185 0.7224 0.5505 -0.006 1.0E-4 0.0059 -3.204 0.074 3.13 -1.143 0.026 1.117 -1.069 0.025 1.044 20 H 1 0.4169 0.9088 -0.0172 0.8238 -0.3858 -0.4153 0.384 -0.1589 0.9095 -0.0034 -9.0E-4 0.0042 -1.79 -0.473 2.263 -0.639 -0.169 0.808 -0.597 -0.158 0.755 21 H 1 -0.6266 0.7769 -0.0617 -0.1354 -0.0305 0.9903 0.7675 0.6289 0.1243 -0.0199 0.0017 0.0182 -2.67 0.234 2.436 -0.953 0.083 0.869 -0.891 0.078 0.812 22 C 13 0.0706 0.1194 0.9903 -0.5898 0.8057 -0.0551 0.8045 0.5802 -0.1273 -0.037 -0.0022 0.0392 -19.755 -1.183 20.938 -7.049 -0.422 7.471 -6.589 -0.395 6.984 23 H 1 -0.3221 0.9214 -0.2174 0.5814 0.3737 0.7227 0.7471 0.1064 -0.6561 -0.0045 5.0E-4 0.004 -2.39 0.273 2.117 -0.853 0.098 0.755 -0.797 0.091 0.706 24 H 1 0.1384 0.6051 0.784 0.4348 0.6742 -0.597 0.8898 -0.4235 0.1698 -0.0013 -1.0E-4 0.0013 -0.669 -0.027 0.696 -0.239 -0.01 0.248 -0.223 -0.009 0.232 25 H 1 0.3155 -0.5365 0.7827 0.2997 0.8389 0.4543 0.9004 -0.0912 -0.4255 -0.0024 7.0E-4 0.0016 -1.257 0.378 0.879 -0.449 0.135 0.314 -0.419 0.126 0.293 26 H 1 0.6158 0.3681 0.6966 -0.6424 -0.2773 0.7144 -0.4562 0.8875 -0.0657 -0.0086 0.0037 0.0049 -4.595 1.964 2.631 -1.64 0.701 0.939 -1.533 0.655 0.878 27 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 C C C C C 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 1 1 1 1 1 1 13 13 13 13 13 1 1 13 1 1 13 1 1 1 1 1 1 0.00552 -0.00041 0.06160 -0.00046 -0.00013 -0.00017 -0.00024 -0.00022 -0.00019 -0.00004 -0.00003 0.13849 -0.04372 -0.00318 -0.07532 0.02195 0.00048 -0.00035 0.01687 0.00096 0.00014 0.03065 0.00491 -0.00030 0.00101 0.00037 -0.01117 -0.00402 3.10404 -0.23240 34.62233 -0.25783 -0.07037 -0.38710 -0.53368 -0.48221 -0.41741 -0.09390 -0.06612 77.84621 -24.57500 -1.78859 -42.33674 12.34071 1.08054 -0.78524 9.48309 2.13998 0.31376 17.22926 10.96702 -0.68137 2.26645 0.81761 -24.95887 -8.98611 1.10760 -0.08293 12.35411 -0.09200 -0.02511 -0.13813 -0.19043 -0.17206 -0.14894 -0.03350 -0.02359 27.77746 -8.76897 -0.63821 -15.10680 4.40347 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3.23749 3.24542 3.25174 3.25837 3.26684 3.28087 3.28592 3.30542 3.31130 3.31595 3.32310 3.33309 3.34289 3.35204 3.36067 3.36261 3.38106 3.39466 3.39952 3.40526 3.41552 3.43181 3.43520 3.44162 3.44605 3.45065 3.46409 3.47227 3.47573 3.49195 3.49614 3.49740 3.50413 3.51711 3.52203 3.53598 3.54172 3.54937 3.55552 3.56830 3.58448 3.60370 3.62016 3.62662 3.63368 3.64811 3.65890 3.66712 3.67536 3.68068 3.68357 3.69045 3.70255 3.70424 3.72576 3.73106 3.73721 3.75774 3.78046 3.78724 3.80016 3.81468 3.82488 3.83776 3.84190 3.84524 3.85424 3.87092 3.88833 3.89201 3.89740 3.90416 3.91142 3.91643 3.92153 3.93526 3.95188 3.95616 3.96825 3.97126 3.97745 3.98580 4.00354 4.01737 4.02833 4.03597 4.04095 4.04517 4.07618 4.07941 4.09804 4.10227 4.10580 4.12745 4.13126 4.13953 4.14615 4.14973 4.16055 4.16480 4.16576 4.16909 4.18432 4.19498 4.20026 4.20663 4.20873 4.21585 4.22664 4.23070 4.24053 4.25253 4.26523 4.26946 4.27567 4.28904 4.29210 4.30009 4.32002 4.33085 4.34388 4.35707 4.37001 4.38820 4.40047 4.40441 4.41043 4.42214 4.44528 4.45950 4.46935 4.47426 4.49462 4.49927 4.52331 4.53078 4.54863 4.55315 4.55614 4.56791 4.57608 4.58834 4.60425 4.61845 4.63877 4.64535 4.65242 4.66601 4.68182 4.70222 4.71027 4.72517 4.73903 4.75901 4.76413 4.79755 4.80872 4.82371 4.83936 4.85298 4.85552 4.88341 4.89470 4.90114 4.90303 4.91011 4.92964 4.94143 4.95887 4.96999 4.98603 4.99612 5.00357 5.01205 5.01932 5.03556 5.04448 5.04901 5.05883 5.07027 5.08049 5.08470 5.08542 5.09950 5.11114 5.12265 5.13388 5.14296 5.15486 5.15840 5.17300 5.19387 5.20636 5.22321 5.23307 5.25443 5.26713 5.27562 5.28117 5.28379 5.33928 5.36068 5.38538 5.40798 5.41577 5.42502 5.45150 5.47273 5.47985 5.49998 5.52779 5.54722 5.55774 5.56272 5.57044 5.59857 5.60124 5.61756 5.62626 5.62819 5.64321 5.64964 5.67524 5.69803 5.74593 5.76051 5.76280 5.82233 5.82731 5.84462 5.86581 5.90039 5.93542 5.94940 22.56623 22.86393 23.06446 23.20400 23.38251 23.43211 23.47869 23.52836 23.58392 23.59050 23.62007 23.70252 1-A. -0.9191 0.6707 -0.1356 1.1458 -81.6242 -72.6512 -70.8231 -0.2749 0.8090 0.6018 -6.5914 2.3816 4.2097 -0.2749 0.8090 0.6018 -55.7452 3.1543 1.1703 6.7239 -0.3989 6.9172 3.3241 0.7836 -2.6890 -0.2001 -2404.2712 -512.1466 -386.0442 1.8948 17.9673 -1.8635 4.0983 -3.1707 0.7989 -434.1449 -409.8953 -148.6084 -1.6243 7.4524 -2.2825 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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)|Beta|Orbitals: 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