Gaussian 16 20-Jun-2026 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 30 30 50 50 658 (5D, 7F) def2TZVPP 84 C1[X(C14H16)] UwB97XD def2TZVPP Stability #p uwb97xd/def2TZVPP stable=opt guess=(mix,always) Int=UltraFine 168.14979999999997 0 1 AuxInfo=1/0/N:1;2;3;4;5;6;8;10;15;16;17;18;20;23;7;9;11;12;13;14;19;21;22;24;25;26;27;28;29;30/rA:30nC0C0C0C0C0C0H0C0H0C0H0H0H0H0C0C0C0C0H0C0H0H0C0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.6594,0,.2158;-1.5813,1.1492,.6944;-1.5813,-1.1492,.6944;-1.2446,0,-1.0999;-2.5625,0,1.1166;-2.2151,1.1524,-.7313;-1.3078,2.0046,1.3265;-2.2151,-1.1524,-.7313;-1.3078,-2.0046,1.3265;-3.1873,0,-.2968;-3.1356,0,2.0496;-2.5015,2.0164,-1.344;-2.5015,-2.0163,-1.344;-4.264,0,-.5029;1.2931,0,.4819;1.5699,1.3133,-.2771;3.1827,0,.5454;1.5699,-1.3134,-.277;1.0759,0,1.5534;3.1072,1.2992,-.2281;1.1332,1.2684,-1.2891;1.124,2.1746,.2417;3.1072,-1.2992,-.2281;3.6661,0,1.5292;1.124,-2.1746,.2418;1.1332,-1.2685,-1.289;3.5308,2.1478,.3271;3.6004,1.2616,-1.2138;3.6004,-1.2616,-1.2139;3.5308,-2.1478,.3271; /opt/g16/c02-avx2/g16/g16 /opt/g16/c02-avx2/g16/l1.exe "/fast/scratch/foo/job_766_G-TS-cubene-fo-2.20_tight_redo_stableSP/Gau-84458.inp" -scrdir="/fast/scratch/foo/job_766_G-TS-cubene-fo-2.20_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 12 12 12 12 12 12 1 12 1 12 1 1 1 1 12 12 12 12 1 12 1 1 12 1 1 1 1 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 1 0 1 0 1 1 1 1 0 0 0 0 1 0 1 1 0 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 (Enter /opt/g16/c02-avx2/g16/l101.exe) 0.10000e-02 0.10000e-05 F 744 A 658 A 986 744 890.5615939886 30 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 -0.0246666220 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 0 168.14979999999997 AuxInfo=1/0/N:1;2;3;4;5;6;8;10;15;16;17;18;20;23;7;9;11;12;13;14;19;21;22;24;25;26;27;28;29;30/rA:30nC0C0C0C0C0C0H0C0H0C0H0H0H0H0C0C0C0C0H0C0H0H0C0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.6594,0,.2158;-1.5813,1.1492,.6944;-1.5813,-1.1492,.6944;-1.2446,0,-1.0999;-2.5625,0,1.1166;-2.2151,1.1524,-.7313;-1.3078,2.0046,1.3265;-2.2151,-1.1524,-.7313;-1.3078,-2.0046,1.3265;-3.1873,0,-.2967;-3.1356,0,2.0496;-2.5016,2.0163,-1.344;-2.5016,-2.0163,-1.344;-4.264,0,-.5029;1.2931,0,.4819;1.5699,1.3133,-.277;3.1827,0,.5454;1.5699,-1.3134,-.277;1.0759,0,1.5534;3.1072,1.2992,-.2281;1.1332,1.2684,-1.2891;1.124,2.1746,.2417;3.1072,-1.2992,-.2281;3.6661,0,1.5292;1.124,-2.1746,.2418;1.1332,-1.2685,-1.289;3.5308,2.1478,.3271;3.6004,1.2616,-1.2138;3.6004,-1.2616,-1.2139;3.5308,-2.1478,.3271; 0.000000 1.549110 0.000000 1.549112 2.298399 0.000000 1.439927 2.157189 2.157189 0.000000 2.105590 1.568974 1.568974 2.578674 0.000000 2.155249 1.560266 2.780574 1.550967 2.205338 0.000000 2.381741 1.098205 3.228134 3.147968 2.374200 2.405018 0.000000 2.155250 2.780573 1.560265 1.550965 2.205337 2.304718 3.876112 0.000000 2.381743 3.228134 1.098206 3.147968 2.374200 3.876113 4.009224 2.405019 0.000000 2.579363 2.209591 2.209590 2.102142 1.545280 1.569093 3.191532 1.569092 3.191532 0.000000 3.081334 2.360710 2.360709 3.673526 1.094931 3.147827 2.807511 3.147826 2.807511 2.346897 0.000000 3.145170 2.398737 3.875909 2.388532 3.181814 1.097226 2.925185 3.240080 4.972391 2.373327 3.998014 0.000000 3.145170 3.875908 2.398735 2.388530 3.181812 3.240080 4.972389 1.097226 2.925184 2.373326 3.998013 4.032691 0.000000 3.675549 3.154507 3.154506 3.077807 2.348969 2.361818 4.012980 2.361818 4.012980 1.096231 2.790751 2.807018 2.807018 0.000000 1.970507 3.102896 3.102897 2.990299 3.907504 3.886762 3.390652 3.886762 3.390654 4.547543 4.697972 4.668903 4.668903 5.643644 0.000000 2.633898 3.301649 4.115586 3.213020 4.554575 3.815537 3.366088 4.540053 4.675628 4.935216 5.411094 4.267236 5.366738 5.984159 1.541905 0.000000 3.856244 4.902981 4.902981 4.723196 5.773612 5.665196 4.979345 5.665195 4.979346 6.425489 6.494944 6.320338 6.320337 7.520160 1.890743 2.236636 0.000000 2.633899 4.115586 3.301637 3.213033 4.554567 4.540064 4.675627 3.815538 3.366066 4.935218 5.411081 5.366755 4.267237 5.984161 1.541906 2.626698 2.236638 0.000000 2.190962 3.019786 3.019800 3.524829 3.664536 4.168707 3.122806 4.168716 3.122828 4.647336 4.240623 5.025766 5.025778 5.722094 1.093277 2.306362 2.335580 2.306364 0.000000 4.008987 4.780763 5.369149 4.624537 5.970084 5.348029 4.733581 5.881317 5.729240 6.427557 6.771136 5.763477 6.610297 7.489848 2.341570 1.538143 1.513873 3.031672 2.997936 0.000000 2.662110 3.364121 4.140991 2.701638 4.588555 3.396425 3.652688 4.169199 4.848978 4.610928 5.565839 3.711344 4.899392 5.599726 2.184192 1.103148 3.028966 2.807197 3.113138 2.241264 0.000000 2.812491 2.928346 4.309470 3.484132 4.368639 3.625079 2.668238 4.813002 4.955464 4.858634 5.112902 3.960308 5.763959 5.857798 2.194373 1.099877 3.009932 3.554421 2.540030 2.218146 1.778947 0.000000 4.008984 5.369144 4.780767 4.624525 5.970086 5.881307 5.729236 5.348024 4.733593 6.427552 6.771141 6.610283 5.763471 7.489843 2.341570 3.031640 1.513874 1.538143 2.997960 2.598339 3.408008 4.027528 0.000000 4.520522 5.436283 5.436278 5.570242 6.242305 6.405193 5.366537 6.405188 5.366528 7.092510 6.821604 7.096565 7.096557 8.186334 2.593890 3.062949 1.096170 3.062928 2.590350 2.255747 3.995907 3.584576 2.255746 0.000000 2.812526 4.309492 2.928374 3.484200 4.368660 4.813056 4.955471 3.625145 2.668242 4.858685 5.112908 5.764017 3.960384 5.857852 2.194369 3.554424 3.009899 1.099877 2.540018 4.027535 3.768023 4.349259 2.218141 3.584502 0.000000 2.662084 4.140976 3.364055 2.701625 4.588509 4.169195 4.848973 3.396371 3.652606 4.610892 5.565788 4.899405 3.711282 5.599688 2.184197 2.807223 3.028998 1.103148 3.113133 3.408097 2.536833 3.768023 2.241266 3.995916 1.778949 0.000000 4.709888 5.221658 6.094170 5.427163 6.508836 5.926731 4.942806 6.710177 6.453967 7.080622 7.212545 6.260904 7.518116 8.127764 3.105557 2.215054 2.186774 4.023673 3.484729 1.099046 3.022229 2.408444 3.517035 2.465082 4.948076 4.475661 0.000000 4.667070 5.523108 6.025296 5.007937 6.708571 5.836516 5.576417 6.315088 6.419718 6.964651 7.590523 6.149857 6.927935 7.996650 3.129080 2.236814 2.204786 3.410472 3.952537 1.102924 2.468362 3.014114 2.787945 3.020021 4.478761 3.534732 1.778999 0.000000 4.667024 6.025245 5.523078 5.007875 6.708532 6.315023 6.419668 5.836470 5.576407 6.964598 7.590491 6.927861 6.149814 7.996597 3.129047 3.410384 2.204783 2.236810 3.952533 2.787923 3.534568 4.478691 1.102924 3.020032 3.014128 2.468359 3.742153 2.523203 0.000000 4.709925 6.094209 5.221709 5.427181 6.508887 6.710201 6.454008 5.926761 4.942869 7.080657 7.212605 7.518133 6.260929 8.127799 3.105590 4.023664 2.186780 2.215058 3.484804 3.517030 4.475590 4.948105 1.099046 2.465086 2.408443 3.022213 4.295673 3.742148 1.778998 0.000000 C14H16 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 0 168.14979999999997 AuxInfo=1/0/N:1;2;3;4;5;6;8;10;15;16;17;18;20;23;7;9;11;12;13;14;19;21;22;24;25;26;27;28;29;30/rA:30nC0C0C0C0C0C0H0C0H0C0H0H0H0H0C0C0C0C0H0C0H0H0C0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.6594,0,.2158;1.5813,-1.1492,.6944;1.5813,1.1492,.6944;1.2446,0,-1.0999;2.5625,0,1.1166;2.2151,-1.1524,-.7313;1.3078,-2.0046,1.3265;2.2151,1.1524,-.7313;1.3078,2.0046,1.3265;3.1873,0,-.2967;3.1356,0,2.0496;2.5016,-2.0163,-1.344;2.5016,2.0163,-1.344;4.264,0,-.5029;-1.2931,0,.4819;-1.5699,-1.3133,-.277;-3.1827,0,.5454;-1.5699,1.3134,-.277;-1.0759,0,1.5534;-3.1072,-1.2992,-.2281;-1.1332,-1.2684,-1.2891;-1.124,-2.1746,.2417;-3.1072,1.2992,-.2281;-3.6661,0,1.5292;-1.124,2.1746,.2418;-1.1332,1.2685,-1.289;-3.5308,-2.1478,.3271;-3.6004,-1.2616,-1.2138;-3.6004,1.2616,-1.2139;-3.5308,2.1478,.3271; 1.8370400 0.4869498 0.4445482 -10.30097 -10.29856 -10.29749 -10.29622 -10.29249 -10.29248 -10.29132 -10.29102 -10.29101 -10.28169 -10.28169 -10.27774 -10.27774 -10.26703 -1.06896 -0.95910 -0.84904 -0.83880 -0.83285 -0.81837 -0.78990 -0.70499 -0.69733 -0.65533 -0.65139 -0.62433 -0.60147 -0.59752 -0.58624 -0.54002 -0.53523 -0.53244 -0.53005 -0.52560 -0.52238 -0.49319 -0.48006 -0.44905 -0.43287 -0.42722 -0.40859 -0.40023 -0.38800 -0.37929 -0.36500 -0.35740 -0.34807 -0.34133 -0.31303 -0.23252 0.00917 0.10175 0.11695 0.12404 0.12574 0.12941 0.13815 0.14120 0.14976 0.16643 0.16899 0.17941 0.18037 0.18145 0.18465 0.18620 0.19734 0.19971 0.20657 0.22518 0.23159 0.24211 0.24967 0.25609 0.26130 0.26938 0.27259 0.28018 0.28126 0.28369 0.28822 0.29670 0.30467 0.30516 0.30985 0.31493 0.31626 0.32638 0.34532 0.35229 0.35287 0.36285 0.36580 0.38169 0.38270 0.38805 0.39811 0.40779 0.42267 0.42376 0.42796 0.44074 0.44628 0.45130 0.45809 0.46779 0.47034 0.47411 0.48417 0.48595 0.48878 0.49282 0.49475 0.49792 0.49793 0.50227 0.50571 0.51248 0.51628 0.51719 0.52510 0.53203 0.53372 0.53489 0.54202 0.55370 0.55883 0.56077 0.56599 0.57408 0.57511 0.58142 0.59656 0.61460 0.61847 0.62008 0.62671 0.63487 0.65441 0.66001 0.67350 0.68451 0.69410 0.71723 0.72806 0.73347 0.73457 0.76378 0.77139 0.78023 0.79330 0.79605 0.82615 0.83354 0.83633 0.85020 0.86396 0.86977 0.88149 0.89192 0.89293 0.90181 0.91138 0.91481 0.92873 0.93567 0.93998 0.95587 0.96329 0.96753 0.98920 0.99748 1.00037 1.00876 1.00933 1.01490 1.02174 1.02757 1.04702 1.05075 1.05512 1.06266 1.07732 1.08078 1.08433 1.09270 1.10101 1.11525 1.11606 1.13271 1.13501 1.14169 1.15021 1.16329 1.16430 1.16772 1.17285 1.18851 1.19218 1.20165 1.20593 1.21696 1.22113 1.22289 1.23348 1.23787 1.24496 1.25273 1.25490 1.26110 1.27697 1.27983 1.28681 1.29871 1.29902 1.30858 1.31487 1.32053 1.33109 1.33547 1.33599 1.35259 1.35353 1.36887 1.37578 1.38348 1.39069 1.40004 1.41088 1.42088 1.42212 1.43831 1.44496 1.45659 1.46495 1.47084 1.47766 1.50015 1.50536 1.51059 1.51823 1.53277 1.53393 1.54535 1.55303 1.56056 1.57461 1.57555 1.58736 1.60135 1.60876 1.61555 1.62827 1.63763 1.63782 1.65020 1.66598 1.67063 1.67874 1.69015 1.69529 1.70289 1.70399 1.71982 1.72904 1.75173 1.77066 1.77574 1.78784 1.79628 1.80584 1.80778 1.81316 1.82504 1.83898 1.85457 1.86270 1.88592 1.89376 1.90096 1.90652 1.92419 1.93935 1.94872 1.97489 1.98653 2.00347 2.03363 2.05167 2.10138 2.10248 2.10312 2.14449 2.15416 2.17087 2.19911 2.20727 2.22609 2.24551 2.25667 2.27096 2.27542 2.30555 2.33637 2.37289 2.37943 2.38959 2.40269 2.43448 2.46218 2.47436 2.47979 2.48577 2.48649 2.49426 2.50612 2.52872 2.53655 2.54745 2.58105 2.60339 2.61151 2.61335 2.63166 2.63847 2.66109 2.67170 2.67964 2.68363 2.69375 2.69779 2.71656 2.72009 2.72375 2.73400 2.74240 2.75108 2.75587 2.75968 2.79313 2.80175 2.80893 2.81835 2.82963 2.83396 2.83960 2.84884 2.85323 2.86702 2.87451 2.88034 2.88858 2.89699 2.90379 2.91068 2.93306 2.95941 2.96614 2.97613 2.98799 2.99477 3.00317 3.00656 3.01342 3.02964 3.03967 3.04930 3.07431 3.08823 3.09085 3.11432 3.12668 3.13166 3.14014 3.14243 3.15214 3.16079 3.16617 3.17024 3.19614 3.20495 3.20677 3.22005 3.22060 3.22475 3.24018 3.24155 3.25255 3.26293 3.26584 3.27584 3.28169 3.29204 3.30291 3.31356 3.31561 3.31930 3.34379 3.34989 3.35337 3.36075 3.36152 3.36706 3.36734 3.38356 3.39346 3.39409 3.40987 3.42490 3.43350 3.43724 3.44185 3.44776 3.45206 3.46146 3.47277 3.47914 3.48207 3.49012 3.51793 3.52162 3.52763 3.53651 3.53917 3.54746 3.58353 3.58958 3.59933 3.60289 3.60417 3.62229 3.62537 3.62803 3.63275 3.63990 3.64839 3.65119 3.66124 3.67350 3.67992 3.68267 3.69549 3.69750 3.71742 3.71791 3.72607 3.73467 3.74782 3.75099 3.75963 3.76983 3.77640 3.77772 3.78728 3.78794 3.79257 3.80425 3.81629 3.82301 3.82899 3.83334 3.83717 3.84105 3.86383 3.88344 3.88737 3.90237 3.90954 3.92488 3.92671 3.92855 3.93591 3.93799 3.94721 3.95501 3.95573 3.96282 3.96342 3.97643 3.99252 4.00925 4.01116 4.02375 4.02457 4.03439 4.03706 4.05875 4.06322 4.06707 4.08263 4.09896 4.10435 4.11632 4.11832 4.12410 4.14226 4.14893 4.15767 4.16236 4.17924 4.17997 4.19750 4.20398 4.20853 4.22672 4.24177 4.24187 4.24878 4.25156 4.25707 4.26681 4.27709 4.28673 4.29072 4.30412 4.30859 4.31007 4.31980 4.32395 4.33631 4.34953 4.35338 4.36724 4.37235 4.37526 4.39870 4.40828 4.41668 4.42179 4.42774 4.45239 4.46102 4.47041 4.48175 4.48827 4.49982 4.52723 4.52799 4.54039 4.54503 4.57066 4.58423 4.58453 4.59366 4.60525 4.62626 4.62805 4.63802 4.64498 4.65133 4.68920 4.69255 4.70624 4.72138 4.73859 4.74605 4.76624 4.77563 4.78327 4.78532 4.79762 4.81176 4.81469 4.81826 4.83985 4.85093 4.85609 4.88412 4.90579 4.91162 4.92043 4.93953 4.95175 4.95738 4.97403 4.99001 5.00413 5.02094 5.04502 5.04528 5.05647 5.05692 5.07554 5.08360 5.09705 5.10603 5.10844 5.12837 5.13178 5.14179 5.17604 5.18322 5.19085 5.21231 5.21540 5.22958 5.23311 5.24168 5.25380 5.27586 5.27621 5.31275 5.32718 5.33591 5.34372 5.36178 5.37364 5.38769 5.41393 5.41791 5.45393 5.47103 5.47414 5.49652 5.51392 5.51880 5.53910 5.55217 5.57438 5.59283 5.60807 5.60822 5.62280 5.66434 5.66442 5.67197 5.68342 5.71767 5.73952 5.75184 5.79660 5.80102 5.84019 5.85522 5.88422 5.90119 5.91961 5.92871 5.94521 5.98895 5.99247 6.00569 6.03650 6.45110 22.72281 23.01032 23.05050 23.17493 23.21317 23.34078 23.53811 23.55413 23.59076 23.64450 23.74908 23.78389 23.88444 24.29010 -10.30310 -10.29849 -10.29671 -10.29288 -10.29288 -10.29165 -10.29139 -10.29139 -10.28745 -10.28084 -10.28083 -10.27817 -10.27817 -10.27293 -1.07102 -0.95405 -0.84799 -0.83989 -0.83144 -0.82294 -0.78772 -0.69935 -0.69659 -0.65650 -0.65231 -0.62353 -0.60393 -0.59424 -0.58505 -0.53863 -0.53504 -0.53234 -0.53030 -0.52526 -0.52318 -0.49201 -0.47895 -0.44496 -0.43276 -0.42568 -0.41856 -0.40441 -0.38627 -0.37722 -0.36590 -0.35834 -0.35099 -0.34491 -0.30676 -0.24103 0.01176 0.10189 0.11593 0.12343 0.12553 0.12974 0.13811 0.14103 0.15137 0.16668 0.16973 0.17936 0.18052 0.18094 0.18475 0.18711 0.19758 0.19984 0.20586 0.22686 0.23216 0.24154 0.25063 0.25611 0.26141 0.26911 0.27096 0.28088 0.28166 0.28477 0.28763 0.29587 0.30434 0.30633 0.30975 0.31586 0.31591 0.32661 0.34601 0.35261 0.35325 0.36251 0.36662 0.38147 0.38246 0.38871 0.39713 0.40726 0.42215 0.42426 0.42818 0.44108 0.44719 0.44934 0.45852 0.46769 0.47008 0.47368 0.48422 0.48644 0.48862 0.49277 0.49481 0.49775 0.49825 0.50264 0.50564 0.51306 0.51618 0.51747 0.52687 0.53161 0.53346 0.53569 0.54302 0.55449 0.55851 0.56092 0.56563 0.57453 0.57492 0.58099 0.59709 0.61611 0.61831 0.62090 0.62825 0.63483 0.65335 0.65933 0.67335 0.68426 0.69411 0.71616 0.72851 0.73411 0.73450 0.76639 0.77138 0.78009 0.79331 0.79619 0.82665 0.83282 0.83363 0.85071 0.86397 0.86989 0.88065 0.89171 0.89320 0.90112 0.91158 0.91460 0.92932 0.93437 0.94056 0.95734 0.96324 0.96787 0.99003 0.99847 0.99871 1.00943 1.00979 1.01515 1.02145 1.02729 1.04630 1.05216 1.05450 1.06249 1.07744 1.08048 1.08323 1.09223 1.10020 1.11629 1.11702 1.13301 1.13482 1.14147 1.14990 1.16320 1.16403 1.16827 1.17302 1.18795 1.19142 1.20053 1.20601 1.21748 1.22185 1.22434 1.23387 1.23758 1.24467 1.25184 1.25322 1.26181 1.27664 1.28055 1.28526 1.29826 1.29891 1.30886 1.31449 1.32059 1.33055 1.33476 1.33542 1.35272 1.35409 1.36851 1.37724 1.38267 1.39250 1.39897 1.40994 1.42167 1.42194 1.43929 1.44493 1.45660 1.46425 1.47095 1.47771 1.50104 1.50527 1.50995 1.51750 1.53231 1.53409 1.54422 1.55311 1.56083 1.57435 1.57614 1.58808 1.60193 1.60778 1.61544 1.62914 1.63513 1.63962 1.65328 1.66644 1.67292 1.67888 1.68807 1.69580 1.70203 1.70322 1.71950 1.72888 1.75451 1.77046 1.77502 1.78793 1.79577 1.80570 1.80765 1.81347 1.82420 1.83945 1.85495 1.86267 1.88678 1.89368 1.90083 1.90769 1.92534 1.93946 1.94850 1.97363 1.98777 2.00089 2.03456 2.05170 2.10158 2.10172 2.10315 2.14316 2.15396 2.16915 2.19690 2.20617 2.22609 2.24487 2.25981 2.27045 2.27394 2.30589 2.33645 2.37160 2.38108 2.39063 2.40233 2.43158 2.46336 2.47447 2.47834 2.48603 2.48622 2.49451 2.50564 2.52931 2.53593 2.54858 2.58167 2.60340 2.61137 2.61375 2.63195 2.63964 2.65994 2.67108 2.67961 2.68342 2.69417 2.69635 2.71704 2.72044 2.72534 2.73419 2.74295 2.75175 2.75676 2.76022 2.79576 2.80252 2.81058 2.81912 2.82837 2.83434 2.84013 2.84814 2.85358 2.86715 2.87371 2.87972 2.88848 2.89724 2.90327 2.91244 2.93411 2.95909 2.96837 2.97311 2.98729 2.99537 3.00292 3.00858 3.01340 3.02949 3.03991 3.05456 3.07338 3.08659 3.09047 3.11394 3.12612 3.13178 3.14033 3.14245 3.15420 3.16093 3.16295 3.17121 3.19712 3.20452 3.20649 3.21985 3.22048 3.22612 3.24009 3.24206 3.25298 3.26435 3.26591 3.27659 3.28241 3.28891 3.30404 3.31279 3.31688 3.31995 3.34300 3.34932 3.35287 3.36068 3.36145 3.36732 3.36796 3.38209 3.39325 3.39481 3.41186 3.42163 3.43434 3.43847 3.44200 3.44767 3.45193 3.46184 3.47387 3.47693 3.48311 3.49039 3.51641 3.52231 3.52759 3.53797 3.54014 3.54890 3.58376 3.58941 3.59955 3.60290 3.60546 3.62218 3.62499 3.62882 3.63317 3.64158 3.64723 3.65158 3.66098 3.67428 3.67852 3.68207 3.69511 3.69771 3.71376 3.71716 3.72562 3.73407 3.74789 3.75045 3.75968 3.76980 3.77684 3.77792 3.78644 3.78667 3.79324 3.80474 3.81613 3.82354 3.82895 3.83326 3.83778 3.84114 3.86231 3.88458 3.88716 3.90115 3.90957 3.92483 3.92609 3.92818 3.93665 3.93751 3.94721 3.95403 3.95716 3.96267 3.96445 3.97706 3.99283 4.00765 4.01220 4.02367 4.02553 4.03418 4.03731 4.05763 4.06235 4.06764 4.08276 4.09936 4.10416 4.11598 4.11830 4.12258 4.14343 4.14797 4.15782 4.16215 4.17896 4.18001 4.19775 4.20237 4.20710 4.22781 4.24166 4.24277 4.24878 4.25126 4.25790 4.26779 4.27425 4.28655 4.29056 4.30515 4.30669 4.30809 4.31973 4.32538 4.33784 4.34977 4.35377 4.36542 4.37200 4.37682 4.39937 4.40854 4.41733 4.41961 4.42850 4.45210 4.46037 4.46884 4.48232 4.48875 4.50063 4.52822 4.52863 4.54047 4.54605 4.56953 4.58446 4.58486 4.59282 4.60337 4.62759 4.62842 4.63824 4.64439 4.65101 4.68966 4.69404 4.70661 4.72199 4.74018 4.74601 4.76484 4.77700 4.78347 4.78582 4.79810 4.81201 4.81563 4.81951 4.84030 4.85076 4.85727 4.88468 4.90368 4.91114 4.92076 4.93986 4.95167 4.95771 4.97344 4.99208 5.00450 5.02359 5.04408 5.04626 5.05749 5.05754 5.07685 5.08324 5.09693 5.10546 5.10853 5.12852 5.13075 5.14126 5.17375 5.18302 5.19108 5.21238 5.21628 5.22902 5.23391 5.24283 5.25574 5.27626 5.27662 5.31038 5.32795 5.33685 5.34447 5.36182 5.37413 5.38789 5.41305 5.41720 5.45400 5.46970 5.47469 5.49790 5.51202 5.51976 5.53911 5.55271 5.57275 5.59208 5.60780 5.60849 5.62315 5.66452 5.66538 5.67277 5.68394 5.71724 5.74029 5.75233 5.79729 5.80194 5.84060 5.85575 5.88500 5.90069 5.91881 5.92804 5.94484 5.98844 5.99184 6.00595 6.03722 6.44984 22.71771 23.00852 23.05473 23.17434 23.21534 23.34095 23.53745 23.55448 23.59230 23.64368 23.74994 23.78335 23.88482 24.28964 1-A. 0.0384 0.0000 1.7198 1.7202 -80.0931 -82.6487 -85.1925 -0.0000 0.6014 0.0000 2.5517 -0.0039 -2.5477 -0.0000 0.6014 0.0000 14.5816 0.0000 11.2570 -0.8317 0.0002 2.5022 -3.1490 0.0000 2.8677 -0.0001 -2721.2605 -643.6721 -373.6560 -0.0008 -8.6965 -0.0005 0.0001 12.6610 -0.0000 -564.6126 -500.4062 -165.4222 0.0003 -10.8973 0.0002 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= 740 740 740 740 740 MxSgAt= 30 MxSgA2= 30. 1 open 1 0 1 -542.554716272012 -542.634746585769 -0.080030313757 -542.720320976599 -0.085574390830 -542.726993219509 -0.006672242910 -542.728692546530 -0.001699327021 -542.729392420550 -0.000699874020 -542.729933479980 -0.000541059430 -542.730221514676 -0.000288034696 -542.730357366050 -0.000135851374 -542.730418990985 -0.000061624935 -542.730463880077 -0.000044889092 -542.730498531129 -0.000034651053 -542.730532628180 -0.000034097051 -542.730552527843 -0.000019899662 -542.730570480661 -0.000017952818 -542.730574721266 -0.000004240605 -542.730563599264 0.000011122002 -542.730558864838 0.000004734426 -542.730560298311 -0.000001433472 -542.730563059000 -0.000002760690 -542.730516778367 0.000046280633 -542.730555370478 -0.000038592111 -542.730555523234 -0.000000152756 -542.730555544599 -0.000000021365 -542.730555557371 -0.000000012773 -542.730555562041 -0.000000004669 -542.730555568368 -0.000000006328 -542.730555572709 -0.000000004341 -542.730555575099 -0.000000002389 -542.730555576682 -0.000000001583 -542.730555577542 -0.000000000860 -542.730555577799 -0.000000000257 -542.730555577852 -0.000000000052 -542.730555577844 0.000000000008 -542.730555577829 0.000000000015 -542.730555578 35 0.4022 5.395761222807e+02 -3.039542765532e+03 1.066699160307e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 64424509440 LenX= 64423347594 LenY= 64422793314 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. 0.4022 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 C C C C C C H C H C H H H H C C C C H C H H C H H H H H H H 13 13 13 13 13 13 1 13 1 13 1 1 1 1 13 13 13 13 1 13 1 1 13 1 1 1 1 1 1 1 0.12215 -0.01936 -0.01936 -0.11745 -0.00027 0.00906 0.00097 0.00906 0.00097 -0.02946 -0.00078 -0.00086 -0.00086 -0.00569 0.01847 0.05624 0.10081 0.05624 0.01610 -0.01791 -0.00014 -0.00034 -0.01791 -0.00407 -0.00034 -0.00014 0.00036 0.00338 0.00338 0.00036 68.65892 -10.88454 -10.88460 -66.02017 -0.15011 5.09477 2.15879 5.09473 2.15881 -16.55920 -1.74860 -1.92271 -1.92272 -12.70579 10.38354 31.61220 56.66633 31.61312 35.98097 -10.06873 -0.31755 -0.76405 -10.06867 -9.08880 -0.76418 -0.31733 0.80795 7.55627 7.55588 0.80803 24.49921 -3.88388 -3.88390 -23.55764 -0.05356 1.81794 0.77031 1.81793 0.77032 -5.90873 -0.62395 -0.68607 -0.68607 -4.53374 3.70510 11.28002 20.21996 11.28035 12.83891 -3.59277 -0.11331 -0.27263 -3.59275 -3.24311 -0.27268 -0.11323 0.28830 2.69627 2.69612 0.28832 22.90215 -3.63069 -3.63071 -22.02196 -0.05007 1.69943 0.72010 1.69942 0.72010 -5.52355 -0.58327 -0.64135 -0.64135 -4.23819 3.46358 10.54470 18.90185 10.54500 12.00196 -3.35857 -0.10592 -0.25486 -3.35855 -3.03170 -0.25490 -0.10585 0.26950 2.52050 2.52037 0.26953 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 0.277855 0.008778 0.008778 -0.045432 0.010371 -0.017230 0.000925 -0.017230 0.000925 -0.008616 0.001497 0.000681 0.000681 -0.003889 -0.174676 0.005284 0.445202 0.005284 0.004434 -0.004470 -0.004266 -0.000160 -0.004470 0.005692 -0.000161 -0.004266 -0.003172 -0.003619 -0.003619 -0.003172 -0.120039 0.010131 0.010131 0.256381 0.000537 0.018305 0.000886 0.018305 0.000886 0.013419 0.000100 -0.005608 -0.005608 0.003048 0.092627 0.012210 -0.245708 0.012212 0.005650 0.002590 -0.000929 0.001844 0.002590 -0.030665 0.001844 -0.000929 0.006552 0.000981 0.000981 0.006552 -0.157817 -0.018909 -0.018909 -0.210950 -0.010908 -0.001074 -0.001811 -0.001074 -0.001811 -0.004803 -0.001597 0.004927 0.004927 0.000841 0.082049 -0.017494 -0.199494 -0.017497 -0.010084 0.001879 0.005195 -0.001684 0.001879 0.024973 -0.001684 0.005195 -0.003380 0.002637 0.002638 -0.003380 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 -0.000000 0.001011 -0.001011 0.000000 0.000000 0.019132 -0.003408 -0.019133 0.003408 0.000000 0.000000 0.006726 -0.006726 0.000000 -0.000000 -0.021166 0.000002 0.021167 -0.000000 0.002957 -0.006392 -0.003888 -0.002957 -0.000000 0.003888 0.006392 0.000828 0.000413 -0.000412 -0.000828 -0.100788 -0.020594 -0.020594 -0.404292 -0.006301 -0.050156 0.001095 -0.050156 0.001095 -0.028928 -0.000535 0.000162 0.000162 0.000113 0.062288 -0.007119 0.184954 -0.007117 0.002502 0.002789 -0.000243 0.001038 0.002789 -0.013279 0.001038 -0.000243 0.001075 0.001015 0.001015 0.001075 0.000000 0.008958 -0.008958 0.000000 0.000000 0.012374 0.001698 -0.012374 -0.001698 0.000000 0.000000 -0.001100 0.001100 0.000000 -0.000000 0.013408 0.000000 -0.013407 0.000000 0.003799 0.002698 0.000287 -0.003799 0.000001 -0.000287 -0.002698 0.002240 0.004536 -0.004536 -0.002240 0.215 0.0 0.9766 0.0 1.0 -0.0 0.9766 -0.0 -0.215 -0.18 -0.12 0.3 -24.155 -16.108 40.263 -8.619 -5.748 14.367 -8.057 -5.373 13.43 1 C 13 0.4495 -0.198 0.871 0.3867 0.9222 0.0101 0.8052 -0.3323 -0.4911 -0.0316 0.0107 0.0209 -4.237 1.43 2.807 -1.512 0.51 1.002 -1.413 0.477 0.936 2 C 13 0.4495 0.198 0.871 -0.3867 0.9222 -0.0101 0.8052 0.3323 -0.4911 -0.0316 0.0107 0.0209 -4.237 1.43 2.807 -1.512 0.51 1.002 -1.413 0.477 0.936 3 C 13 0.6322 -0.0 0.7748 -0.0 1.0 0.0 0.7748 0.0 -0.6322 -0.5409 0.2564 0.2845 -72.579 34.404 38.175 -25.898 12.276 13.622 -24.21 11.476 12.734 4 C 13 0.2642 -0.0 0.9645 -0.0 1.0 0.0 0.9645 0.0 -0.2642 -0.0126 5.0E-4 0.0121 -1.695 0.072 1.623 -0.605 0.026 0.579 -0.565 0.024 0.541 5 C 13 0.7399 -0.259 0.6208 0.0915 0.9531 0.2885 -0.6664 -0.1566 0.7289 -0.066 0.0239 0.0421 -8.858 3.206 5.653 -3.161 1.144 2.017 -2.955 1.069 1.886 6 C 13 -0.5156 -0.564 0.645 0.5057 0.4074 0.7605 -0.6917 0.7183 0.0751 -0.0042 -2.0E-4 0.0043 -2.226 -0.092 2.318 -0.794 -0.033 0.827 -0.743 -0.031 0.773 7 H 1 0.7399 0.259 0.6208 -0.0915 0.9531 -0.2885 -0.6664 0.1566 0.7289 -0.066 0.0239 0.0421 -8.858 3.206 5.653 -3.161 1.144 2.017 -2.955 1.069 1.886 8 C 13 -0.5156 0.564 0.645 0.5057 -0.4074 0.7605 0.6917 0.7183 -0.0751 -0.0042 -2.0E-4 0.0043 -2.226 -0.092 2.318 -0.794 -0.033 0.827 -0.743 -0.031 0.773 9 H 1 0.73 -0.0 0.6835 0.0 1.0 0.0 -0.6835 0.0 0.73 -0.0357 0.0134 0.0223 -4.791 1.801 2.99 -1.709 0.643 1.067 -1.598 0.601 0.997 10 C 13 0.1659 -0.0 0.9861 -0.0 1.0 0.0 0.9861 0.0 -0.1659 -0.0017 1.0E-4 0.0016 -0.9 0.053 0.847 -0.321 0.019 0.302 -0.3 0.018 0.282 11 H 1 -0.5339 0.8428 0.0681 0.6341 0.3458 0.6917 -0.5594 -0.4124 0.719 -0.01 0.0045 0.0054 -5.313 2.414 2.898 -1.896 0.862 1.034 -1.772 0.805 0.967 12 H 1 0.5339 0.8428 -0.0681 0.6341 -0.3458 0.6917 -0.5594 0.4125 0.719 -0.01 0.0045 0.0054 -5.313 2.414 2.898 -1.896 0.862 1.034 -1.772 0.805 0.967 13 H 1 0.9997 -0.0 -0.0239 0.0239 -0.0 0.9997 0.0 1.0 0.0 -0.0039 8.0E-4 0.003 -2.076 0.45 1.626 -0.741 0.161 0.58 -0.693 0.15 0.542 14 H 1 0.9746 0.0 -0.224 0.0 1.0 0.0 0.224 -0.0 0.9746 -0.189 0.0926 0.0964 -25.361 12.43 12.931 -9.049 4.435 4.614 -8.459 4.146 4.313 15 C 13 -0.0611 -0.3898 0.9189 0.7917 0.5417 0.2824 -0.6078 0.7447 0.2756 -0.0227 -0.0117 0.0344 -3.047 -1.575 4.622 -1.087 -0.562 1.649 -1.017 -0.525 1.542 16 C 13 -0.2575 0.0 0.9663 0.0 1.0 -0.0 0.9663 0.0 0.2575 -0.2488 -0.2457 0.4945 -33.385 -32.972 66.356 -11.912 -11.765 23.678 -11.136 -10.998 22.134 17 C 13 -0.0611 0.3898 0.9189 0.7917 -0.5417 0.2824 0.6078 0.7448 -0.2755 -0.0227 -0.0117 0.0344 -3.048 -1.575 4.622 -1.087 -0.562 1.649 -1.017 -0.525 1.542 18 C 13 -0.1652 -0.0 0.9863 0.9863 0.0 0.1652 -0.0 1.0 0.0 -0.0105 0.0049 0.0057 -5.604 2.589 3.015 -2.0 0.924 1.076 -1.869 0.864 1.006 19 H 1 0.9463 -0.2282 -0.2291 0.014 -0.6788 0.7342 0.323 0.698 0.6391 -0.0059 -0.0016 0.0074 -0.786 -0.212 0.998 -0.28 -0.076 0.356 -0.262 -0.071 0.333 20 C 13 0.7764 0.6218 -0.1023 0.5487 -0.5871 0.5952 -0.3101 0.5183 0.797 -0.0094 0.0023 0.007 -4.991 1.232 3.759 -1.781 0.44 1.341 -1.665 0.411 1.254 21 H 1 0.7186 0.5296 -0.4507 0.3198 0.3238 0.8904 -0.6175 0.784 -0.0633 -0.0037 -0.0012 0.0049 -1.962 -0.644 2.605 -0.7 -0.23 0.93 -0.654 -0.215 0.869 22 H 1 0.9463 0.2283 -0.229 0.014 0.6788 0.7342 -0.323 0.698 -0.6391 -0.0059 -0.0016 0.0074 -0.786 -0.212 0.998 -0.28 -0.076 0.356 -0.262 -0.071 0.333 23 C 13 0.0 1.0 -0.0 0.8909 0.0 0.4541 -0.4541 0.0 0.8909 -0.0307 -0.0011 0.0317 -16.361 -0.574 16.936 -5.838 -0.205 6.043 -5.458 -0.192 5.649 24 H 1 0.7187 -0.5296 -0.4506 0.3198 -0.3238 0.8905 0.6175 0.784 0.0633 -0.0037 -0.0012 0.0049 -1.962 -0.644 2.605 -0.7 -0.23 0.93 -0.654 -0.215 0.869 25 H 1 0.7764 -0.6219 -0.1024 0.5487 0.5871 0.5952 -0.3101 -0.5183 0.797 -0.0094 0.0023 0.007 -4.991 1.232 3.759 -1.781 0.44 1.341 -1.665 0.411 1.254 26 H 1 -0.5813 -0.1197 0.8048 0.8074 -0.2071 0.5524 0.1006 0.971 0.217 -0.0045 -0.0026 0.0071 -2.395 -1.413 3.809 -0.855 -0.504 1.359 -0.799 -0.471 1.27 27 H 1 0.9471 0.1734 -0.2701 -0.3042 0.7534 -0.583 0.1024 0.6343 0.7663 -0.0038 -0.0027 0.0065 -2.045 -1.438 3.483 -0.73 -0.513 1.243 -0.682 -0.48 1.162 28 H 1 0.9471 -0.1734 -0.2701 0.3042 0.7534 0.5829 0.1024 -0.6343 0.7663 -0.0038 -0.0027 0.0065 -2.045 -1.438 3.483 -0.73 -0.513 1.243 -0.682 -0.48 1.162 29 H 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 C C C C C C H C H C H H H H C C C C H C H H C H H H H H H H 13 13 13 13 13 13 1 13 1 13 1 1 1 1 13 13 13 13 1 13 1 1 13 1 1 1 1 1 1 1 0.12215 -0.01936 -0.01936 -0.11745 -0.00027 0.00906 0.00097 0.00906 0.00097 -0.02946 -0.00078 -0.00086 -0.00086 -0.00569 0.01847 0.05624 0.10081 0.05624 0.01610 -0.01791 -0.00014 -0.00034 -0.01791 -0.00407 -0.00034 -0.00014 0.00036 0.00338 0.00338 0.00036 68.65892 -10.88454 -10.88460 -66.02017 -0.15011 5.09477 2.15879 5.09473 2.15881 -16.55920 -1.74860 -1.92271 -1.92272 -12.70579 10.38354 31.61220 56.66633 31.61312 35.98097 -10.06873 -0.31755 -0.76405 -10.06867 -9.08880 -0.76418 -0.31733 0.80795 7.55627 7.55588 0.80803 24.49921 -3.88388 -3.88390 -23.55764 -0.05356 1.81794 0.77031 1.81793 0.77032 -5.90873 -0.62395 -0.68607 -0.68607 -4.53374 3.70510 11.28002 20.21996 11.28035 12.83891 -3.59277 -0.11331 -0.27263 -3.59275 -3.24311 -0.27268 -0.11323 0.28830 2.69627 2.69612 0.28832 22.90215 -3.63069 -3.63071 -22.02196 -0.05007 1.69943 0.72010 1.69942 0.72010 -5.52355 -0.58327 -0.64135 -0.64135 -4.23819 3.46358 10.54470 18.90185 10.54500 12.00196 -3.35857 -0.10592 -0.25486 -3.35855 -3.03170 -0.25490 -0.10585 0.26950 2.52050 2.52037 0.26953 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 0.277855 0.008778 0.008778 -0.045432 0.010371 -0.017230 0.000925 -0.017230 0.000925 -0.008616 0.001497 0.000681 0.000681 -0.003889 -0.174676 0.005284 0.445202 0.005284 0.004434 -0.004470 -0.004266 -0.000160 -0.004470 0.005692 -0.000161 -0.004266 -0.003172 -0.003619 -0.003619 -0.003172 -0.120039 0.010131 0.010131 0.256381 0.000537 0.018305 0.000886 0.018305 0.000886 0.013419 0.000100 -0.005608 -0.005608 0.003048 0.092627 0.012210 -0.245708 0.012212 0.005650 0.002590 -0.000929 0.001844 0.002590 -0.030665 0.001844 -0.000929 0.006552 0.000981 0.000981 0.006552 -0.157817 -0.018909 -0.018909 -0.210950 -0.010908 -0.001074 -0.001811 -0.001074 -0.001811 -0.004803 -0.001597 0.004927 0.004927 0.000841 0.082049 -0.017494 -0.199494 -0.017497 -0.010084 0.001879 0.005195 -0.001684 0.001879 0.024973 -0.001684 0.005195 -0.003380 0.002637 0.002638 -0.003380 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 -0.000000 0.001011 -0.001011 0.000000 0.000000 0.019132 -0.003408 -0.019133 0.003408 0.000000 0.000000 0.006726 -0.006726 0.000000 -0.000000 -0.021166 0.000002 0.021167 -0.000000 0.002957 -0.006392 -0.003888 -0.002957 -0.000000 0.003888 0.006392 0.000828 0.000413 -0.000412 -0.000828 -0.100788 -0.020594 -0.020594 -0.404292 -0.006301 -0.050156 0.001095 -0.050156 0.001095 -0.028928 -0.000535 0.000162 0.000162 0.000113 0.062288 -0.007119 0.184954 -0.007117 0.002502 0.002789 -0.000243 0.001038 0.002789 -0.013279 0.001038 -0.000243 0.001075 0.001015 0.001015 0.001075 0.000000 0.008958 -0.008958 0.000000 0.000000 0.012374 0.001698 -0.012374 -0.001698 0.000000 0.000000 -0.001100 0.001100 0.000000 -0.000000 0.013408 0.000000 -0.013407 0.000000 0.003799 0.002698 0.000287 -0.003799 0.000001 -0.000287 -0.002698 0.002240 0.004536 -0.004536 -0.002240 0.215 0.0 0.9766 0.0 1.0 -0.0 0.9766 -0.0 -0.215 -0.18 -0.12 0.3 -24.155 -16.108 40.263 -8.619 -5.748 14.367 -8.057 -5.373 13.43 1 C 13 0.4495 -0.198 0.871 0.3867 0.9222 0.0101 0.8052 -0.3323 -0.4911 -0.0316 0.0107 0.0209 -4.237 1.43 2.807 -1.512 0.51 1.002 -1.413 0.477 0.936 2 C 13 0.4495 0.198 0.871 -0.3867 0.9222 -0.0101 0.8052 0.3323 -0.4911 -0.0316 0.0107 0.0209 -4.237 1.43 2.807 -1.512 0.51 1.002 -1.413 0.477 0.936 3 C 13 0.6322 -0.0 0.7748 -0.0 1.0 0.0 0.7748 0.0 -0.6322 -0.5409 0.2564 0.2845 -72.579 34.404 38.175 -25.898 12.276 13.622 -24.21 11.476 12.734 4 C 13 0.2642 -0.0 0.9645 -0.0 1.0 0.0 0.9645 0.0 -0.2642 -0.0126 5.0E-4 0.0121 -1.695 0.072 1.623 -0.605 0.026 0.579 -0.565 0.024 0.541 5 C 13 0.7399 -0.259 0.6208 0.0915 0.9531 0.2885 -0.6664 -0.1566 0.7289 -0.066 0.0239 0.0421 -8.858 3.206 5.653 -3.161 1.144 2.017 -2.955 1.069 1.886 6 C 13 -0.5156 -0.564 0.645 0.5057 0.4074 0.7605 -0.6917 0.7183 0.0751 -0.0042 -2.0E-4 0.0043 -2.226 -0.092 2.318 -0.794 -0.033 0.827 -0.743 -0.031 0.773 7 H 1 0.7399 0.259 0.6208 -0.0915 0.9531 -0.2885 -0.6664 0.1566 0.7289 -0.066 0.0239 0.0421 -8.858 3.206 5.653 -3.161 1.144 2.017 -2.955 1.069 1.886 8 C 13 -0.5156 0.564 0.645 0.5057 -0.4074 0.7605 0.6917 0.7183 -0.0751 -0.0042 -2.0E-4 0.0043 -2.226 -0.092 2.318 -0.794 -0.033 0.827 -0.743 -0.031 0.773 9 H 1 0.73 -0.0 0.6835 0.0 1.0 0.0 -0.6835 0.0 0.73 -0.0357 0.0134 0.0223 -4.791 1.801 2.99 -1.709 0.643 1.067 -1.598 0.601 0.997 10 C 13 0.1659 -0.0 0.9861 -0.0 1.0 0.0 0.9861 0.0 -0.1659 -0.0017 1.0E-4 0.0016 -0.9 0.053 0.847 -0.321 0.019 0.302 -0.3 0.018 0.282 11 H 1 -0.5339 0.8428 0.0681 0.6341 0.3458 0.6917 -0.5594 -0.4124 0.719 -0.01 0.0045 0.0054 -5.313 2.414 2.898 -1.896 0.862 1.034 -1.772 0.805 0.967 12 H 1 0.5339 0.8428 -0.0681 0.6341 -0.3458 0.6917 -0.5594 0.4125 0.719 -0.01 0.0045 0.0054 -5.313 2.414 2.898 -1.896 0.862 1.034 -1.772 0.805 0.967 13 H 1 0.9997 -0.0 -0.0239 0.0239 -0.0 0.9997 0.0 1.0 0.0 -0.0039 8.0E-4 0.003 -2.076 0.45 1.626 -0.741 0.161 0.58 -0.693 0.15 0.542 14 H 1 0.9746 0.0 -0.224 0.0 1.0 0.0 0.224 -0.0 0.9746 -0.189 0.0926 0.0964 -25.361 12.43 12.931 -9.049 4.435 4.614 -8.459 4.146 4.313 15 C 13 -0.0611 -0.3898 0.9189 0.7917 0.5417 0.2824 -0.6078 0.7447 0.2756 -0.0227 -0.0117 0.0344 -3.047 -1.575 4.622 -1.087 -0.562 1.649 -1.017 -0.525 1.542 16 C 13 -0.2575 0.0 0.9663 0.0 1.0 -0.0 0.9663 0.0 0.2575 -0.2488 -0.2457 0.4945 -33.385 -32.972 66.356 -11.912 -11.765 23.678 -11.136 -10.998 22.134 17 C 13 -0.0611 0.3898 0.9189 0.7917 -0.5417 0.2824 0.6078 0.7448 -0.2755 -0.0227 -0.0117 0.0344 -3.048 -1.575 4.622 -1.087 -0.562 1.649 -1.017 -0.525 1.542 18 C 13 -0.1652 -0.0 0.9863 0.9863 0.0 0.1652 -0.0 1.0 0.0 -0.0105 0.0049 0.0057 -5.604 2.589 3.015 -2.0 0.924 1.076 -1.869 0.864 1.006 19 H 1 0.9463 -0.2282 -0.2291 0.014 -0.6788 0.7342 0.323 0.698 0.6391 -0.0059 -0.0016 0.0074 -0.786 -0.212 0.998 -0.28 -0.076 0.356 -0.262 -0.071 0.333 20 C 13 0.7764 0.6218 -0.1023 0.5487 -0.5871 0.5952 -0.3101 0.5183 0.797 -0.0094 0.0023 0.007 -4.991 1.232 3.759 -1.781 0.44 1.341 -1.665 0.411 1.254 21 H 1 0.7186 0.5296 -0.4507 0.3198 0.3238 0.8904 -0.6175 0.784 -0.0633 -0.0037 -0.0012 0.0049 -1.962 -0.644 2.605 -0.7 -0.23 0.93 -0.654 -0.215 0.869 22 H 1 0.9463 0.2283 -0.229 0.014 0.6788 0.7342 -0.323 0.698 -0.6391 -0.0059 -0.0016 0.0074 -0.786 -0.212 0.998 -0.28 -0.076 0.356 -0.262 -0.071 0.333 23 C 13 0.0 1.0 -0.0 0.8909 0.0 0.4541 -0.4541 0.0 0.8909 -0.0307 -0.0011 0.0317 -16.361 -0.574 16.936 -5.838 -0.205 6.043 -5.458 -0.192 5.649 24 H 1 0.7187 -0.5296 -0.4506 0.3198 -0.3238 0.8905 0.6175 0.784 0.0633 -0.0037 -0.0012 0.0049 -1.962 -0.644 2.605 -0.7 -0.23 0.93 -0.654 -0.215 0.869 25 H 1 0.7764 -0.6219 -0.1024 0.5487 0.5871 0.5952 -0.3101 -0.5183 0.797 -0.0094 0.0023 0.007 -4.991 1.232 3.759 -1.781 0.44 1.341 -1.665 0.411 1.254 26 H 1 -0.5813 -0.1197 0.8048 0.8074 -0.2071 0.5524 0.1006 0.971 0.217 -0.0045 -0.0026 0.0071 -2.395 -1.413 3.809 -0.855 -0.504 1.359 -0.799 -0.471 1.27 27 H 1 0.9471 0.1734 -0.2701 -0.3042 0.7534 -0.583 0.1024 0.6343 0.7663 -0.0038 -0.0027 0.0065 -2.045 -1.438 3.483 -0.73 -0.513 1.243 -0.682 -0.48 1.162 28 H 1 0.9471 -0.1734 -0.2701 0.3042 0.7534 0.5829 0.1024 -0.6343 0.7663 -0.0038 -0.0027 0.0065 -2.045 -1.438 3.483 -0.73 -0.513 1.243 -0.682 -0.48 1.162 29 H 1 PT37697.600S Sat Jun 20 03:56:53 2026 -10.30097 -10.29856 -10.29749 -10.29622 -10.29249 -10.29248 -10.29132 -10.29102 -10.29101 -10.28169 -10.28169 -10.27774 -10.27774 -10.26703 -1.06896 -0.95910 -0.84904 -0.83880 -0.83285 -0.81837 -0.78990 -0.70499 -0.69733 -0.65533 -0.65139 -0.62433 -0.60147 -0.59752 -0.58624 -0.54002 -0.53523 -0.53244 -0.53005 -0.52560 -0.52238 -0.49319 -0.48006 -0.44905 -0.43287 -0.42722 -0.40859 -0.40023 -0.38800 -0.37929 -0.36500 -0.35740 -0.34807 -0.34133 -0.31303 -0.23252 0.00917 0.10175 0.11695 0.12404 0.12574 0.12941 0.13815 0.14120 0.14976 0.16643 0.16899 0.17941 0.18037 0.18145 0.18465 0.18620 0.19734 0.19971 0.20657 0.22518 0.23159 0.24211 0.24967 0.25609 0.26130 0.26938 0.27259 0.28018 0.28126 0.28369 0.28822 0.29670 0.30467 0.30516 0.30985 0.31493 0.31626 0.32638 0.34532 0.35229 0.35287 0.36285 0.36580 0.38169 0.38270 0.38805 0.39811 0.40779 0.42267 0.42376 0.42796 0.44074 0.44628 0.45130 0.45809 0.46779 0.47034 0.47411 0.48417 0.48595 0.48878 0.49282 0.49475 0.49792 0.49793 0.50227 0.50571 0.51248 0.51628 0.51719 0.52510 0.53203 0.53372 0.53489 0.54202 0.55370 0.55883 0.56077 0.56599 0.57408 0.57511 0.58142 0.59656 0.61460 0.61847 0.62008 0.62671 0.63487 0.65441 0.66001 0.67350 0.68451 0.69410 0.71723 0.72806 0.73347 0.73457 0.76378 0.77139 0.78023 0.79330 0.79605 0.82615 0.83354 0.83633 0.85020 0.86396 0.86977 0.88149 0.89192 0.89293 0.90181 0.91138 0.91481 0.92873 0.93567 0.93998 0.95587 0.96329 0.96753 0.98920 0.99748 1.00037 1.00876 1.00933 1.01490 1.02174 1.02757 1.04702 1.05075 1.05512 1.06266 1.07732 1.08078 1.08433 1.09270 1.10101 1.11525 1.11606 1.13271 1.13501 1.14169 1.15021 1.16329 1.16430 1.16772 1.17285 1.18851 1.19218 1.20165 1.20593 1.21696 1.22113 1.22289 1.23348 1.23787 1.24496 1.25273 1.25490 1.26110 1.27697 1.27983 1.28681 1.29871 1.29902 1.30858 1.31487 1.32053 1.33109 1.33547 1.33599 1.35259 1.35353 1.36887 1.37578 1.38348 1.39069 1.40004 1.41088 1.42088 1.42212 1.43831 1.44496 1.45659 1.46495 1.47084 1.47766 1.50015 1.50536 1.51059 1.51823 1.53277 1.53393 1.54535 1.55303 1.56056 1.57461 1.57555 1.58736 1.60135 1.60876 1.61555 1.62827 1.63763 1.63782 1.65020 1.66598 1.67063 1.67874 1.69015 1.69529 1.70289 1.70399 1.71982 1.72904 1.75173 1.77066 1.77574 1.78784 1.79628 1.80584 1.80778 1.81316 1.82504 1.83898 1.85457 1.86270 1.88592 1.89376 1.90096 1.90652 1.92419 1.93935 1.94872 1.97489 1.98653 2.00347 2.03363 2.05167 2.10138 2.10248 2.10312 2.14449 2.15416 2.17087 2.19911 2.20727 2.22609 2.24551 2.25667 2.27096 2.27542 2.30555 2.33637 2.37289 2.37943 2.38959 2.40269 2.43448 2.46218 2.47436 2.47979 2.48577 2.48649 2.49426 2.50612 2.52872 2.53655 2.54745 2.58105 2.60339 2.61151 2.61335 2.63166 2.63847 2.66109 2.67170 2.67964 2.68363 2.69375 2.69779 2.71656 2.72009 2.72375 2.73400 2.74240 2.75108 2.75587 2.75968 2.79313 2.80175 2.80893 2.81835 2.82963 2.83396 2.83960 2.84884 2.85323 2.86702 2.87451 2.88034 2.88858 2.89699 2.90379 2.91068 2.93306 2.95941 2.96614 2.97613 2.98799 2.99477 3.00317 3.00656 3.01342 3.02964 3.03967 3.04930 3.07431 3.08823 3.09085 3.11432 3.12668 3.13166 3.14014 3.14243 3.15214 3.16079 3.16617 3.17024 3.19614 3.20495 3.20677 3.22005 3.22060 3.22475 3.24018 3.24155 3.25255 3.26293 3.26584 3.27584 3.28169 3.29204 3.30291 3.31356 3.31561 3.31930 3.34379 3.34989 3.35337 3.36075 3.36152 3.36706 3.36734 3.38356 3.39346 3.39409 3.40987 3.42490 3.43350 3.43724 3.44185 3.44776 3.45206 3.46146 3.47277 3.47914 3.48207 3.49012 3.51793 3.52162 3.52763 3.53651 3.53917 3.54746 3.58353 3.58958 3.59933 3.60289 3.60417 3.62229 3.62537 3.62803 3.63275 3.63990 3.64839 3.65119 3.66124 3.67350 3.67992 3.68267 3.69549 3.69750 3.71742 3.71791 3.72607 3.73467 3.74782 3.75099 3.75963 3.76983 3.77640 3.77772 3.78728 3.78794 3.79257 3.80425 3.81629 3.82301 3.82899 3.83334 3.83717 3.84105 3.86383 3.88344 3.88737 3.90237 3.90954 3.92488 3.92671 3.92855 3.93591 3.93799 3.94721 3.95501 3.95573 3.96282 3.96342 3.97643 3.99252 4.00925 4.01116 4.02375 4.02457 4.03439 4.03706 4.05875 4.06322 4.06707 4.08263 4.09896 4.10435 4.11632 4.11832 4.12410 4.14226 4.14893 4.15767 4.16236 4.17924 4.17997 4.19750 4.20398 4.20853 4.22672 4.24177 4.24187 4.24878 4.25156 4.25707 4.26681 4.27709 4.28673 4.29072 4.30412 4.30859 4.31007 4.31980 4.32395 4.33631 4.34953 4.35338 4.36724 4.37235 4.37526 4.39870 4.40828 4.41668 4.42179 4.42774 4.45239 4.46102 4.47041 4.48175 4.48827 4.49982 4.52723 4.52799 4.54039 4.54503 4.57066 4.58423 4.58453 4.59366 4.60525 4.62626 4.62805 4.63802 4.64498 4.65133 4.68920 4.69255 4.70624 4.72138 4.73859 4.74605 4.76624 4.77563 4.78327 4.78532 4.79762 4.81176 4.81469 4.81826 4.83985 4.85093 4.85609 4.88412 4.90579 4.91162 4.92043 4.93953 4.95175 4.95738 4.97403 4.99001 5.00413 5.02094 5.04502 5.04528 5.05647 5.05692 5.07554 5.08360 5.09705 5.10603 5.10844 5.12837 5.13178 5.14179 5.17604 5.18322 5.19085 5.21231 5.21540 5.22958 5.23311 5.24168 5.25380 5.27586 5.27621 5.31275 5.32718 5.33591 5.34372 5.36178 5.37364 5.38769 5.41393 5.41791 5.45393 5.47103 5.47414 5.49652 5.51392 5.51880 5.53910 5.55217 5.57438 5.59283 5.60807 5.60822 5.62280 5.66434 5.66442 5.67197 5.68342 5.71767 5.73952 5.75184 5.79660 5.80102 5.84019 5.85522 5.88422 5.90119 5.91961 5.92871 5.94521 5.98895 5.99247 6.00569 6.03650 6.45110 22.72281 23.01032 23.05050 23.17493 23.21317 23.34078 23.53811 23.55413 23.59076 23.64450 23.74908 23.78389 23.88444 24.29010 -10.30310 -10.29849 -10.29671 -10.29288 -10.29288 -10.29165 -10.29139 -10.29139 -10.28745 -10.28084 -10.28083 -10.27817 -10.27817 -10.27293 -1.07102 -0.95405 -0.84799 -0.83989 -0.83144 -0.82294 -0.78772 -0.69935 -0.69659 -0.65650 -0.65231 -0.62353 -0.60393 -0.59424 -0.58505 -0.53863 -0.53504 -0.53234 -0.53030 -0.52526 -0.52318 -0.49201 -0.47895 -0.44496 -0.43276 -0.42568 -0.41856 -0.40441 -0.38627 -0.37722 -0.36590 -0.35834 -0.35099 -0.34491 -0.30676 -0.24103 0.01176 0.10189 0.11593 0.12343 0.12553 0.12974 0.13811 0.14103 0.15137 0.16668 0.16973 0.17936 0.18052 0.18094 0.18475 0.18711 0.19758 0.19984 0.20586 0.22686 0.23216 0.24154 0.25063 0.25611 0.26141 0.26911 0.27096 0.28088 0.28166 0.28477 0.28763 0.29587 0.30434 0.30633 0.30975 0.31586 0.31591 0.32661 0.34601 0.35261 0.35325 0.36251 0.36662 0.38147 0.38246 0.38871 0.39713 0.40726 0.42215 0.42426 0.42818 0.44108 0.44719 0.44934 0.45852 0.46769 0.47008 0.47368 0.48422 0.48644 0.48862 0.49277 0.49481 0.49775 0.49825 0.50264 0.50564 0.51306 0.51618 0.51747 0.52687 0.53161 0.53346 0.53569 0.54302 0.55449 0.55851 0.56092 0.56563 0.57453 0.57492 0.58099 0.59709 0.61611 0.61831 0.62090 0.62825 0.63483 0.65335 0.65933 0.67335 0.68426 0.69411 0.71616 0.72851 0.73411 0.73450 0.76639 0.77138 0.78009 0.79331 0.79619 0.82665 0.83282 0.83363 0.85071 0.86397 0.86989 0.88065 0.89171 0.89320 0.90112 0.91158 0.91460 0.92932 0.93437 0.94056 0.95734 0.96324 0.96787 0.99003 0.99847 0.99871 1.00943 1.00979 1.01515 1.02145 1.02729 1.04630 1.05216 1.05450 1.06249 1.07744 1.08048 1.08323 1.09223 1.10020 1.11629 1.11702 1.13301 1.13482 1.14147 1.14990 1.16320 1.16403 1.16827 1.17302 1.18795 1.19142 1.20053 1.20601 1.21748 1.22185 1.22434 1.23387 1.23758 1.24467 1.25184 1.25322 1.26181 1.27664 1.28055 1.28526 1.29826 1.29891 1.30886 1.31449 1.32059 1.33055 1.33476 1.33542 1.35272 1.35409 1.36851 1.37724 1.38267 1.39250 1.39897 1.40994 1.42167 1.42194 1.43929 1.44493 1.45660 1.46425 1.47095 1.47771 1.50104 1.50527 1.50995 1.51750 1.53231 1.53409 1.54422 1.55311 1.56083 1.57435 1.57614 1.58808 1.60193 1.60778 1.61544 1.62914 1.63513 1.63962 1.65328 1.66644 1.67292 1.67888 1.68807 1.69580 1.70203 1.70322 1.71950 1.72888 1.75451 1.77046 1.77502 1.78793 1.79577 1.80570 1.80765 1.81347 1.82420 1.83945 1.85495 1.86267 1.88678 1.89368 1.90083 1.90769 1.92534 1.93946 1.94850 1.97363 1.98777 2.00089 2.03456 2.05170 2.10158 2.10172 2.10315 2.14316 2.15396 2.16915 2.19690 2.20617 2.22609 2.24487 2.25981 2.27045 2.27394 2.30589 2.33645 2.37160 2.38108 2.39063 2.40233 2.43158 2.46336 2.47447 2.47834 2.48603 2.48622 2.49451 2.50564 2.52931 2.53593 2.54858 2.58167 2.60340 2.61137 2.61375 2.63195 2.63964 2.65994 2.67108 2.67961 2.68342 2.69417 2.69635 2.71704 2.72044 2.72534 2.73419 2.74295 2.75175 2.75676 2.76022 2.79576 2.80252 2.81058 2.81912 2.82837 2.83434 2.84013 2.84814 2.85358 2.86715 2.87371 2.87972 2.88848 2.89724 2.90327 2.91244 2.93411 2.95909 2.96837 2.97311 2.98729 2.99537 3.00292 3.00858 3.01340 3.02949 3.03991 3.05456 3.07338 3.08659 3.09047 3.11394 3.12612 3.13178 3.14033 3.14245 3.15420 3.16093 3.16295 3.17121 3.19712 3.20452 3.20649 3.21985 3.22048 3.22612 3.24009 3.24206 3.25298 3.26435 3.26591 3.27659 3.28241 3.28891 3.30404 3.31279 3.31688 3.31995 3.34300 3.34932 3.35287 3.36068 3.36145 3.36732 3.36796 3.38209 3.39325 3.39481 3.41186 3.42163 3.43434 3.43847 3.44200 3.44767 3.45193 3.46184 3.47387 3.47693 3.48311 3.49039 3.51641 3.52231 3.52759 3.53797 3.54014 3.54890 3.58376 3.58941 3.59955 3.60290 3.60546 3.62218 3.62499 3.62882 3.63317 3.64158 3.64723 3.65158 3.66098 3.67428 3.67852 3.68207 3.69511 3.69771 3.71376 3.71716 3.72562 3.73407 3.74789 3.75045 3.75968 3.76980 3.77684 3.77792 3.78644 3.78667 3.79324 3.80474 3.81613 3.82354 3.82895 3.83326 3.83778 3.84114 3.86231 3.88458 3.88716 3.90115 3.90957 3.92483 3.92609 3.92818 3.93665 3.93751 3.94721 3.95403 3.95716 3.96267 3.96445 3.97706 3.99283 4.00765 4.01220 4.02367 4.02553 4.03418 4.03731 4.05763 4.06235 4.06764 4.08276 4.09936 4.10416 4.11598 4.11830 4.12258 4.14343 4.14797 4.15782 4.16215 4.17896 4.18001 4.19775 4.20237 4.20710 4.22781 4.24166 4.24277 4.24878 4.25126 4.25790 4.26779 4.27425 4.28655 4.29056 4.30515 4.30669 4.30809 4.31973 4.32538 4.33784 4.34977 4.35377 4.36542 4.37200 4.37682 4.39937 4.40854 4.41733 4.41961 4.42850 4.45210 4.46037 4.46884 4.48232 4.48875 4.50063 4.52822 4.52863 4.54047 4.54605 4.56953 4.58446 4.58486 4.59282 4.60337 4.62759 4.62842 4.63824 4.64439 4.65101 4.68966 4.69404 4.70661 4.72199 4.74018 4.74601 4.76484 4.77700 4.78347 4.78582 4.79810 4.81201 4.81563 4.81951 4.84030 4.85076 4.85727 4.88468 4.90368 4.91114 4.92076 4.93986 4.95167 4.95771 4.97344 4.99208 5.00450 5.02359 5.04408 5.04626 5.05749 5.05754 5.07685 5.08324 5.09693 5.10546 5.10853 5.12852 5.13075 5.14126 5.17375 5.18302 5.19108 5.21238 5.21628 5.22902 5.23391 5.24283 5.25574 5.27626 5.27662 5.31038 5.32795 5.33685 5.34447 5.36182 5.37413 5.38789 5.41305 5.41720 5.45400 5.46970 5.47469 5.49790 5.51202 5.51976 5.53911 5.55271 5.57275 5.59208 5.60780 5.60849 5.62315 5.66452 5.66538 5.67277 5.68394 5.71724 5.74029 5.75233 5.79729 5.80194 5.84060 5.85575 5.88500 5.90069 5.91881 5.92804 5.94484 5.98844 5.99184 6.00595 6.03722 6.44984 22.71771 23.00852 23.05473 23.17434 23.21534 23.34095 23.53745 23.55448 23.59230 23.64368 23.74994 23.78335 23.88482 24.28964 1-A. 0.0384 0.0000 1.7198 1.7202 -80.0931 -82.6487 -85.1925 -0.0000 0.6014 0.0000 2.5517 -0.0039 -2.5477 -0.0000 0.6014 0.0000 14.5816 0.0000 11.2570 -0.8317 0.0002 2.5022 -3.1490 0.0000 2.8677 -0.0001 -2721.2605 -643.6721 -373.6560 -0.0008 -8.6965 -0.0005 0.0001 12.6610 -0.0000 -564.6126 -500.4062 -165.4222 0.0003 -10.8973 0.0002 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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) GINC-MOLSCI-D140-105 FOO 20-Jun-2026 0 Title Card Required 0 1 Version=ES64L-G16RevC.02 State=1-A HF=-542.7305556 S2=0.402239 S2-1=0. S2A=0.031486 RMSD=4.343e-09 Dipole=-0.0151117,-0.0000015,0.676627 Quadrupole=1.8971002,-0.0029173,-1.8941829,-0.0000271,-0.4471556,-0.0000061 PG=C01 [X(C14H16)] 0 -0.659388 0.000001 0.215763 0 -1.581326 1.1492 0.694422 0 -1.581328 -1.149199 0.694421 0 -1.244642 0.000001 -1.099861 0 -2.562544 0.000001 1.116599 0 -2.21508 1.152361 -0.731332 0 -1.307833 2.004612 1.326503 0 -2.215081 -1.152357 -0.731333 0 -1.307836 -2.004612 1.326502 0 -3.187322 0.000002 -0.296745 0 -3.135621 0.000001 2.049582 0 -2.501552 2.016348 -1.344003 0 -2.501554 -2.016343 -1.344004 0 -4.263998 0.000003 -0.502879 0 1.293066 0. 0.481886 0 1.569895 1.313339 -0.277046 0 3.182742 -0.000002 0.545391 0 1.56989 -1.313359 -0.277014 0 1.07587 0.000015 1.553371 0 3.107193 1.299176 -0.228069 0 1.133225 1.268381 -1.28909 0 1.123992 2.174625 0.24169 0 3.10719 -1.299163 -0.2281 0 3.666108 -0.000016 1.529233 0 1.124032 -2.174634 0.241779 0 1.133175 -1.268452 -1.289041 0 3.530771 2.147839 0.327138 0 3.600431 1.261631 -1.213842 0 3.60038 -1.261572 -1.213895 0 3.530816 -2.147834 0.327058