Gaussian 16 5-Mar-2026 Gaussian 16 3-Jul-2019 ES64L-G16RevC.01 UM062X GenECP SP #p nosymm gfprint gfinput scf(maxcyc=200,xqc) m062x/genecp scrf(CPCM,solvent=benzene) sp temperature=403.15 empiricaldispersion=gd3 guess=read geom=checkpoint 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 319.07566999999995 AuxInfo=1/0/N:1;2;3;4;5;6;7;12;16;20;21;22;23;25;26;31;35;8;9;10;11;13;14;15;17;18;19;24;27;28;29;30;32;33;34/rA:35nC0C0C0C0C0C0C0H0H0H0H0C0H0H0H0C0H0H0H0C0C0C0C0H0C0C0H0H0H0H0C0H0H0H0I0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.1435,.8067,-.5226;3.1202,3.2959,-.0274;3.4339,3.6376,1.2763;3.8082,4.9705,1.4913;3.8436,5.8772,.4363;3.5069,5.4782,-.8546;3.1276,4.1559,-1.1118;2.6546,1.9182,-.3077;4.0721,5.2923,2.4939;4.1364,6.9042,.6214;3.5347,6.1932,-1.6708;2.7271,3.691,-2.4884;2.8675,4.4829,-3.2247;3.3163,2.8242,-2.7958;1.6743,3.3943,-2.4979;3.363,2.6428,2.4078;3.8528,1.7053,2.1371;3.8432,3.0412,3.3024;2.3229,2.4048,2.651;1.4335,.419,.7166;1.9746,-.5847,1.5317;.2803,1.0689,1.1798;1.3923,-.9196,2.7432;2.8705,-1.0963,1.1976;-.3329,.755,2.3975;.2504,-.2531,3.1699;1.827,-1.6989,3.3578;-.206,-.5118,4.1186;2.9732,.1454,-.7655;1.504,.9859,-1.3855;-1.5671,1.4535,2.9007;-1.8691,1.0401,3.8626;-1.39,2.5247,3.023;-2.3962,1.3414,2.1983;-.5654,2.6378,-.0058; g16 Output=mXy_rad_mXyI-Habs_d_maqzvp.log nprocshared=12 mem=48GB oldchk=mXy_rad_mXyI-Habs_d chk=mXy_rad_mXyI-Habs_d_maqzvp #p nosymm gfprint gfinput scf(maxcyc=200,xqc) m062x/genecp scrf(CPCM,s 1/29=2,38=1,112=403150,172=1/1 2/12=2,15=1,40=1/2 3/5=7,11=2,14=-4,16=1,17=8,24=110,25=1,30=1,70=2101,72=12,74=-55,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,7=200,8=3,13=1,38=6,53=12/2,8 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 sp ma-qzvp Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 12 12 12 12 12 12 12 1 1 1 1 12 1 1 1 12 1 1 1 12 12 12 12 1 12 12 1 1 1 1 12 1 1 1 127 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 126.9004000 0 0 0 0 0 0 0 1 1 1 1 0 1 1 1 0 1 1 1 0 0 0 0 1 0 0 1 1 1 1 0 1 1 1 5 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 5830.0000000 (Enter /opt/software/gaussian/g16_avx/g16/l101.exe) 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. (5D, 7F) 8 9 10 11 13 14 15 17 18 19 24 27 28 29 30 32 33 34 S 4 1.00 1.9069169000e+02 2.8605532000e+01 6.5095943000e+00 1.8412455000e+00 7.0815167000e-04 5.4678827000e-03 2.7966605000e-02 1.0764538000e-01 S 1 1.00 5.9853725000e-01 1.0000000000e+00 S 1 1.00 2.1397624000e-01 1.0000000000e+00 S 1 1.00 8.0316286000e-02 1.0000000000e+00 P 1 1.00 2.2920000000e+00 1.0000000000e+00 P 1 1.00 8.3800000000e-01 1.0000000000e+00 P 1 1.00 2.9200000000e-01 1.0000000000e+00 D 1 1.00 2.0620000000e+00 1.0000000000e+00 D 1 1.00 6.6200000000e-01 1.0000000000e+00 F 1 1.00 1.3970000000e+00 1.0000000000e+00 1 2 3 4 5 6 7 12 16 20 21 22 23 25 26 31 S 8 1.00 6.7025071029e+04 1.0039986538e+04 2.2849316911e+03 6.4714122130e+02 2.1109472335e+02 7.6177643862e+01 2.9633839163e+01 1.2187785081e+01 3.8736308501e-05 3.0107917575e-04 1.5787918095e-03 6.6087087195e-03 2.3367123250e-02 7.0420716898e-02 1.7360344953e-01 3.2292305648e-01 S 2 1.00 5.3026006299e+01 1.5258502776e+01 7.4897404492e-02 7.6136220983e-01 S 1 1.00 5.2403957464e+00 1.0000000000e+00 S 1 1.00 2.2905022379e+00 1.0000000000e+00 S 1 1.00 6.9673283006e-01 1.0000000000e+00 S 1 1.00 2.7599337363e-01 1.0000000000e+00 S 1 1.00 1.0739884389e-01 1.0000000000e+00 P 5 1.00 1.0512555082e+02 2.4884461066e+01 7.8637230826e+00 2.8407001835e+00 1.1227137335e+00 8.4647553844e-04 6.6274038534e-03 3.0120390419e-02 9.9951435476e-02 2.3826299282e-01 P 1 1.00 4.6050725555e-01 1.0000000000e+00 P 1 1.00 1.8937530913e-01 1.0000000000e+00 P 1 1.00 7.5983791611e-02 1.0000000000e+00 D 1 1.00 1.8480000000e+00 1.0000000000e+00 D 1 1.00 6.4900000000e-01 1.0000000000e+00 D 1 1.00 2.2800000000e-01 1.0000000000e+00 F 1 1.00 1.4190000000e+00 1.0000000000e+00 F 1 1.00 4.8500000000e-01 1.0000000000e+00 G 1 1.00 1.0110000000e+00 1.0000000000e+00 S 1 1.00 3.5799614630e-02 1.0000000000e+00 P 1 1.00 2.5327930537e-02 1.0000000000e+00 35 S 9 1.00 1.6788400000e+04 2.5266400000e+03 5.7198400000e+02 1.5043400000e+02 2.9540500000e+01 1.8457100000e+01 1.1528600000e+01 7.0828900000e+00 2.5040500000e+00 4.1000000000e-05 3.0300000000e-04 1.2470000000e-03 2.6590000000e-03 -5.3190000000e-02 3.4009600000e-01 -3.5235500000e-01 -5.4138500000e-01 7.1574900000e-01 S 3 1.00 2.5058617933e+01 1.5621979372e+01 3.3536325162e+00 4.0897754402e-02 -1.4269668187e-01 5.2916319279e-01 S 1 1.00 1.3540144781e+00 1.0000000000e+00 S 1 1.00 6.7430472704e-01 1.0000000000e+00 S 1 1.00 3.2727136949e-01 1.0000000000e+00 S 1 1.00 1.5749364119e-01 1.0000000000e+00 S 1 1.00 7.4377727841e-02 1.0000000000e+00 P 7 1.00 6.5627400000e+02 1.4923200000e+02 1.9015300000e+01 1.0737800000e+01 6.4420800000e+00 3.0920300000e+00 1.5787400000e+00 9.1000000000e-05 6.1300000000e-04 5.9923000000e-02 -2.4925800000e-01 -4.3750000000e-03 5.1399900000e-01 5.0721300000e-01 P 3 1.00 1.5660511893e+01 4.9250669812e+00 1.6692319982e+00 -2.2143803592e-02 2.3518064355e-01 7.3153925548e-01 P 1 1.00 7.7817898176e-01 1.0000000000e+00 P 1 1.00 3.5608843716e-01 1.0000000000e+00 P 1 1.00 1.5493242649e-01 1.0000000000e+00 P 1 1.00 6.4666212492e-02 1.0000000000e+00 D 8 1.00 3.1822407776e+02 9.5810227352e+01 3.5322295259e+01 1.3107447819e+01 6.2949152988e+00 3.6826101201e+00 2.0858950647e+00 1.1644342344e+00 1.0951692560e-04 9.1919139268e-04 4.7916935207e-03 -1.6280459996e-02 9.0889609141e-02 2.7483543784e-01 3.6067901632e-01 2.8384002219e-01 D 1 1.00 6.3180613129e-01 1.0000000000e+00 D 1 1.00 3.2215084697e-01 1.0000000000e+00 D 1 1.00 1.3490000000e-01 1.0000000000e+00 F 1 1.00 5.8780000000e-01 1.0000000000e+00 F 1 1.00 2.5000000000e-01 1.0000000000e+00 F 1 1.00 2.1780000000e+00 1.0000000000e+00 F 1 1.00 6.4253613600e+00 1.0000000000e+00 G 1 1.00 4.7390000000e-01 1.0000000000e+00 S 1 1.00 2.4792575947e-02 1.0000000000e+00 P 1 1.00 2.1555404164e-02 1.0000000000e+00 1 6 No pseudopotential on this center. 2 6 No pseudopotential on this center. 3 6 No pseudopotential on this center. 4 6 No pseudopotential on this center. 5 6 No pseudopotential on this center. 6 6 No pseudopotential on this center. 7 6 No pseudopotential on this center. 8 1 No pseudopotential on this center. 9 1 No pseudopotential on this center. 10 1 No pseudopotential on this center. 11 1 No pseudopotential on this center. 12 6 No pseudopotential on this center. 13 1 No pseudopotential on this center. 14 1 No pseudopotential on this center. 15 1 No pseudopotential on this center. 16 6 No pseudopotential on this center. 17 1 No pseudopotential on this center. 18 1 No pseudopotential on this center. 19 1 No pseudopotential on this center. 20 6 No pseudopotential on this center. 21 6 No pseudopotential on this center. 22 6 No pseudopotential on this center. 23 6 No pseudopotential on this center. 24 1 No pseudopotential on this center. 25 6 No pseudopotential on this center. 26 6 No pseudopotential on this center. 27 1 No pseudopotential on this center. 28 1 No pseudopotential on this center. 29 1 No pseudopotential on this center. 30 1 No pseudopotential on this center. 31 6 No pseudopotential on this center. 32 1 No pseudopotential on this center. 33 1 No pseudopotential on this center. 34 1 No pseudopotential on this center. 35 53 25 F and up 2 2 2 2 19.4586090 19.3492600 4.8237670 4.8843150 -21.84204000 -28.46819100 -0.24371300 -0.32080400 0.00000000 0.00000000 0.00000000 0.00000000 S - F 2 2 2 2 2 2 2 40.0158350 17.4297470 9.0054840 19.4586090 19.3492600 4.8237670 4.8843150 49.99429300 281.02531700 61.57332600 21.84204000 28.46819100 0.24371300 0.32080400 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 P - F 2 2 2 2 2 2 2 2 15.3554660 14.9718330 8.9601640 8.2590960 19.4586090 19.3492600 4.8237670 4.8843150 67.44284100 134.88113700 14.67505100 29.37566600 21.84204000 28.46819100 0.24371300 0.32080400 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 D - F 2 2 2 2 2 2 2 2 2 2 15.0689080 14.5553220 6.7186470 6.4563930 1.1917790 1.2911570 19.4586090 19.3492600 4.8237670 4.8843150 35.43952900 53.17605700 9.06719500 13.20693700 0.08933500 0.05238000 21.84204000 28.46819100 0.24371300 0.32080400 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.10000e-02 0.10000e-05 F IExCor= 4336 DFT=T Ex+Corr=M062X ExCW=0 ScaHFX= 0.540000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 35 35 35 1.00e+00 60 F Grimme-D3 -0.0022161902 C-PCM UFF Total charges None On-the-fly selection Benzene 2.270600 2.253301 0.000000 2.719421 0.000000 3.593743 1.383699 0.000000 4.915714 2.363047 1.401077 0.000000 5.433246 2.720607 2.426818 1.391540 0.000000 4.877681 2.365640 2.816669 2.418997 1.392474 0.000000 3.540221 1.384129 2.462813 2.811187 2.423244 1.399396 0.000000 1.242103 1.481016 2.464254 3.726088 4.200156 3.701222 2.424451 0.000000 5.739319 3.353927 2.151318 1.085598 2.151317 3.400955 3.896764 4.609031 0.000000 6.516152 3.804436 3.404909 2.145635 1.083837 2.146700 3.402148 5.283894 2.471612 0.000000 5.680584 3.356709 3.902139 3.401235 2.152899 1.085490 2.151477 4.572636 4.294774 2.474126 0.000000 3.538994 2.523384 3.830832 4.317843 3.818375 2.543888 1.507180 2.811380 5.403416 4.688442 2.753547 0.000000 4.619554 3.419938 4.614566 4.833547 4.037309 2.648939 2.153812 3.890022 5.899916 4.718594 2.405255 1.090378 0.000000 3.257850 2.815178 4.154182 4.819504 4.477226 3.293667 2.155218 2.729404 5.885929 5.384807 3.558640 1.092250 1.771068 0.000000 3.289019 2.864241 4.171294 4.790759 4.413626 3.225097 2.147883 2.817253 5.854067 5.301994 3.461141 1.093859 1.771161 1.763507 0.000000 3.666840 2.532918 1.508355 2.541002 3.818343 4.324767 3.838364 2.898423 2.744165 4.685057 5.410225 5.047423 5.946196 5.207020 5.242391 0.000000 3.286787 2.784104 2.156400 3.328743 4.505297 4.827432 4.133599 2.730885 3.611396 5.422785 5.894269 5.158025 6.118371 5.086551 5.392702 1.091791 0.000000 4.744713 3.416843 2.151370 2.646458 4.032098 4.830376 4.608684 3.963136 2.402868 4.711390 5.896028 5.933076 6.755269 6.124762 6.202587 1.090662 1.772726 0.000000 3.557717 2.933142 2.155016 3.183426 4.390374 4.810051 4.227622 3.016677 3.379721 5.258653 5.873567 5.313302 6.256113 5.552508 5.283049 1.094370 1.758964 1.772231 0.000000 1.479825 3.416879 3.830718 5.191909 5.973251 5.688849 4.491999 2.188100 5.819863 7.026618 6.592205 4.759394 5.840018 4.654802 4.386742 3.395377 3.086315 4.401021 2.911391 0.000000 2.486857 4.336101 4.474635 5.850120 6.815378 6.693308 5.548970 3.179616 6.313851 7.847669 7.657042 5.916854 7.007217 5.669926 5.670981 3.621011 3.022933 4.446780 3.211053 1.401599 0.000000 2.537385 3.805488 4.068488 5.269290 6.030704 5.830168 4.784184 2.927644 5.825943 7.016546 6.706409 5.130130 6.143997 5.301337 4.569046 3.672612 3.752865 4.592316 2.849704 1.402495 2.393537 0.000000 3.769587 5.332190 5.204647 6.488279 7.584725 7.638550 6.605602 4.353667 6.769934 8.558341 8.640980 7.099984 8.184115 6.956938 6.794022 4.084954 3.648522 4.691225 3.453418 2.429144 1.385292 2.763194 0.000000 2.666248 4.566596 4.767914 6.145844 7.082120 6.916635 5.743280 3.376301 6.628623 8.120512 7.861686 6.043629 7.119280 5.613943 5.937401 3.960762 3.113904 4.742857 3.830060 2.142936 1.084395 3.376026 2.145936 0.000000 3.829070 4.925442 4.873950 5.978338 6.893932 6.901300 5.988044 4.194748 6.324606 7.806541 7.815615 6.469609 7.466508 6.675984 5.912646 4.150132 4.300117 4.846180 3.136741 2.461421 2.805188 1.399014 2.429087 3.889565 0.000000 4.282592 5.572514 5.371922 6.539217 7.613390 7.723188 6.786034 4.752622 6.768578 8.533618 8.704800 7.328423 8.376688 7.379598 6.888688 4.319116 4.228348 4.876248 3.410043 2.805310 2.401308 2.389310 1.389322 3.386046 1.397541 0.000000 4.629800 6.170832 5.949191 7.203478 8.366569 8.489770 7.479826 5.215696 7.393523 9.318542 9.512554 8.002443 9.089895 7.780930 7.762255 4.702318 4.145183 5.151360 4.193520 3.408218 2.144234 3.846664 1.083471 2.473480 3.407253 2.147430 0.000000 5.366441 6.538430 6.208480 7.285088 8.412976 8.625410 7.762603 5.803402 7.391187 9.278184 9.616021 8.361788 9.397749 8.446579 7.910196 5.061199 5.031461 5.448471 4.129823 3.889456 3.384114 3.372189 2.147663 4.282307 2.140865 1.084147 2.474095 0.000000 1.088520 3.239103 4.071390 5.391815 5.920780 5.360135 4.028409 1.858459 6.190483 6.996992 6.140947 3.949727 4.987262 3.378734 3.904318 4.056931 3.410530 5.068516 4.147274 2.154578 2.609099 3.448078 3.993082 2.325105 4.615927 4.802023 4.660086 5.864611 0.000000 1.088907 3.129313 4.223861 5.427911 5.719922 4.947080 3.572111 1.831584 6.339588 6.781101 5.596561 3.166990 4.179772 2.941534 2.658305 4.537692 4.294527 5.627832 4.356262 2.178384 3.346416 2.843500 4.548649 3.588231 4.211749 4.884473 5.459981 5.955062 1.802658 0.000000 5.089738 5.825723 5.693809 6.576477 7.410674 7.486339 6.741207 5.322804 6.833948 8.211930 8.330214 7.244953 8.146381 7.627382 6.589247 5.095442 5.479234 5.652780 4.012402 3.852839 4.309553 2.553854 3.796701 5.393900 1.504781 2.507672 4.654794 2.683039 5.980552 5.293599 0.000000 5.948463 6.716637 6.446528 7.300882 8.232346 8.417171 7.708431 6.214926 7.433185 8.997735 9.293774 8.275710 9.193344 8.625857 7.652014 5.662111 6.013276 6.078519 4.571947 4.603255 4.779816 3.437680 3.966113 5.842023 2.141842 2.577671 4.627975 2.289087 6.757766 6.238845 1.089642 0.000000 5.292211 5.499217 5.249742 5.945556 6.732059 6.909248 6.337685 5.274422 6.146079 7.449106 7.729340 6.977555 7.809884 7.489813 6.373857 4.794107 5.379867 5.266068 3.733390 4.210173 4.817940 2.882035 4.436532 5.881733 2.154136 3.229319 5.319791 3.438424 6.249097 5.493439 1.092574 1.771573 0.000000 5.319540 6.261369 6.333495 7.222562 7.912870 7.828128 7.027903 5.667718 7.585273 8.723938 8.584108 7.330402 8.184442 7.731308 6.545080 5.908130 6.259867 6.560381 4.858530 4.208674 4.822639 2.876644 4.445415 5.889071 2.154185 3.238924 5.331333 3.452368 6.248631 5.308671 1.092346 1.771530 1.758606 0.000000 3.310274 3.743957 4.317129 5.177921 5.488890 5.036980 4.143213 3.313183 5.899240 6.379817 5.676643 4.255967 5.054747 4.784003 3.434985 4.610620 4.998156 5.526517 3.931241 3.072583 4.381776 2.140611 4.903580 5.215052 3.061801 4.371209 5.987013 5.201926 4.394457 2.985788 3.294479 4.383661 3.141023 3.144964 0.000000 0.4484260 0.2595816 0.2095924 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Defaulting to unpruned grid for atomic number 53. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 1913 1910 1913 1913 1913 MxSgAt= 35 MxSgA2= 35. 1 open 1 1 1 -726.038320737482 -788.548975196231 -62.510654458750 -746.837826873405 41.711148322826 -863.567908386359 -116.730081512954 -686.817922433244 176.749985953115 -890.677523933083 -203.859601499840 -875.832326137795 14.845197795288 -917.534978696878 -41.702652559083 -917.624895894463 -0.089917197585 -918.076702645603 -0.451806751140 -918.089504348783 -0.012801703179 -918.095368928095 -0.005864579313 -918.095699922171 -0.000330994076 -918.095839641813 -0.000139719642 -918.095864898137 -0.000025256324 -918.095870825121 -0.000005926984 -918.095873233947 -0.000002408826 -918.095874065540 -0.000000831593 -918.095874354444 -0.000000288904 -918.095874401438 -0.000000046994 -918.095874409131 -0.000000007693 -918.095874409917 -0.000000000786 -918.095874410039 -0.000000000123 -918.095874410072 -0.000000000033 -918.095874410060 0.000000000012 -918.095874410 25 0.7644 7.309867032135e+02 -4.821287210480e+03 1.796130072542e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 6442450944 LenX= 6434779438 LenY= 6430959368 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. 0.7644 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 C C C C C C C H H H H C H H H C H H H C C C C H C C H H H H C H H H I 13 13 13 13 13 13 13 1 1 1 1 13 1 1 1 13 1 1 1 13 13 13 13 1 13 13 1 1 1 1 13 1 1 1 127 0.18814 0.35763 0.00349 0.03141 -0.00614 0.03120 0.00110 -0.03431 0.00301 0.00083 0.00274 0.01332 -0.00035 -0.00083 -0.00099 0.01857 -0.00082 -0.00023 -0.00136 -0.01743 0.01142 0.00990 -0.00508 -0.00064 -0.00593 0.00812 0.00031 -0.00076 -0.00431 -0.00566 0.00050 -0.00003 -0.00040 -0.00038 0.00002 211.50995 402.04578 3.92189 35.31354 -6.90382 35.07479 1.23492 -153.37569 13.44096 3.69735 12.22925 14.96935 -1.56265 -3.70065 -4.44381 20.87393 -3.67466 -1.04075 -6.08035 -19.59347 12.83733 11.12896 -5.71608 -2.86696 -6.66143 9.12542 1.36699 -3.38426 -19.25792 -25.31497 0.56289 -0.11362 -1.77924 -1.71033 0.01598 75.47201 143.45993 1.39943 12.60075 -2.46346 12.51556 0.44065 -54.72826 4.79607 1.31930 4.36370 5.34143 -0.55759 -1.32048 -1.58566 7.44834 -1.31121 -0.37137 -2.16962 -6.99144 4.58068 3.97109 -2.03964 -1.02300 -2.37696 3.25618 0.48778 -1.20759 -6.87170 -9.03301 0.20085 -0.04054 -0.63488 -0.61029 0.00570 70.55212 134.10804 1.30820 11.77933 -2.30287 11.69969 0.41193 -51.16062 4.48342 1.23330 4.07924 4.99324 -0.52124 -1.23440 -1.48230 6.96279 -1.22573 -0.34716 -2.02819 -6.53568 4.28207 3.71222 -1.90668 -0.95632 -2.22201 3.04391 0.45598 -1.12887 -6.42375 -8.44417 0.18776 -0.03790 -0.59349 -0.57050 0.00533 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 -0.112305 -0.222591 -0.069884 -0.004845 -0.035226 -0.004919 -0.072026 -0.059096 -0.003280 -0.001955 -0.003936 -0.012493 -0.003355 -0.005082 -0.001323 -0.013185 -0.003787 -0.002571 -0.003155 -0.002458 -0.004084 0.003165 -0.000252 0.000656 0.000302 -0.001222 -0.000468 -0.001431 0.010984 -0.004062 0.000805 0.000561 0.000734 0.001049 0.005986 0.317807 0.615742 0.007343 0.029404 0.021580 0.032915 0.045364 0.151050 -0.001091 0.001086 0.003046 -0.009601 -0.000401 -0.003432 -0.003198 -0.006202 -0.001004 -0.002159 -0.003572 -0.012916 0.001021 0.007657 -0.004321 0.001625 -0.004736 0.009863 -0.000244 -0.001856 0.014250 -0.005294 -0.000780 -0.000465 -0.000842 -0.000643 -0.002234 -0.205502 -0.393152 0.062540 -0.024558 0.013646 -0.027996 0.026663 -0.091953 0.004371 0.000869 0.000889 0.022094 0.003756 0.008514 0.004521 0.019387 0.004791 0.004731 0.006727 0.015375 0.003063 -0.010822 0.004573 -0.002281 0.004434 -0.008641 0.000712 0.003286 -0.025234 0.009356 -0.000025 -0.000097 0.000108 -0.000405 -0.003752 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 0.252406 0.280108 0.024946 0.012091 0.015624 0.012072 0.016494 0.100670 0.001508 0.000689 0.000854 0.002046 0.000355 0.000044 -0.000580 -0.000278 -0.001823 0.000637 0.001782 -0.019163 0.025072 0.033713 -0.010555 -0.002206 -0.010417 0.032077 0.000047 0.002461 -0.017425 0.005130 -0.000265 -0.000134 -0.000268 0.000101 0.000692 0.057162 0.035030 0.028975 0.001092 0.009804 -0.001965 0.010953 0.019887 0.002614 0.000507 -0.000385 0.008254 0.000315 -0.002225 0.005346 0.003505 0.004652 0.002379 -0.002792 -0.021835 0.024147 0.018154 -0.010212 0.000213 -0.009493 0.018915 -0.001156 -0.002327 -0.007880 0.030393 -0.001297 -0.000871 -0.001302 -0.000912 0.000407 0.119763 0.194821 0.035957 0.017044 -0.000680 0.006411 -0.049238 0.051646 0.003994 -0.000109 -0.005141 0.000802 -0.003377 -0.000182 -0.002816 -0.011586 -0.004517 0.000450 -0.001341 -0.023489 0.022207 0.020818 -0.011439 -0.002162 -0.010628 0.023228 -0.000914 -0.000984 0.012924 -0.001528 -0.000382 -0.000041 0.000158 -0.000129 0.001069 -0.438 0.0053 0.8989 0.7992 -0.4555 0.3921 0.4116 0.8902 0.1953 -0.2327 -0.2281 0.4608 -31.22 -30.612 61.832 -11.14 -10.923 22.063 -10.414 -10.211 20.625 1 C 13 0.1234 -0.2133 0.9692 0.9513 -0.2524 -0.1767 0.2824 0.9438 0.1718 -0.4316 -0.3034 0.735 -57.912 -40.717 98.629 -20.665 -14.529 35.193 -19.317 -13.582 32.899 2 C 13 0.9656 -0.2181 -0.1415 0.1246 0.8659 -0.4844 0.2282 0.4502 0.8633 -0.0798 -0.0092 0.0889 -10.704 -1.232 11.936 -3.819 -0.44 4.259 -3.57 -0.411 3.981 3 C 13 0.1015 -0.2946 0.9502 0.9574 -0.2306 -0.1738 0.2703 0.9274 0.2587 -0.0297 -0.008 0.0377 -3.989 -1.068 5.057 -1.423 -0.381 1.804 -1.331 -0.356 1.687 4 C 13 0.9548 -0.2405 -0.1745 0.1265 -0.2021 0.9712 0.2688 0.9494 0.1625 -0.041 0.0151 0.0259 -5.495 2.022 3.474 -1.961 0.721 1.24 -1.833 0.674 1.159 5 C 13 0.1441 -0.1294 0.9811 0.9513 -0.2548 -0.1734 0.2724 0.9583 0.0864 -0.0291 -0.0078 0.0369 -3.909 -1.046 4.955 -1.395 -0.373 1.768 -1.304 -0.349 1.653 6 C 13 0.958 -0.2074 -0.1981 0.2844 0.5981 0.7493 0.0369 0.7742 -0.6319 -0.0779 -0.0085 0.0863 -10.448 -1.138 11.586 -3.728 -0.406 4.134 -3.485 -0.38 3.865 7 C 13 0.1654 -0.2594 0.9515 0.9158 -0.3175 -0.2458 0.3659 0.9121 0.1851 -0.1026 -0.0993 0.2019 -54.73 -53.001 107.731 -19.529 -18.912 38.441 -18.256 -17.679 35.935 8 H 1 0.9557 -0.2276 -0.1865 0.1092 0.8627 -0.4937 0.2733 0.4515 0.8494 -0.0041 -0.0032 0.0073 -2.214 -1.7 3.913 -0.79 -0.606 1.396 -0.738 -0.567 1.305 9 H 1 0.9637 -0.2082 -0.1671 0.1625 -0.0388 0.9859 0.2118 0.9773 0.0036 -0.0022 0.001 0.0012 -1.17 0.511 0.659 -0.417 0.182 0.235 -0.39 0.17 0.22 10 H 1 0.9548 -0.2405 -0.1748 0.2862 0.5845 0.7592 0.0805 0.7749 -0.6269 -0.0041 -0.0032 0.0073 -2.177 -1.715 3.892 -0.777 -0.612 1.389 -0.726 -0.572 1.298 11 H 1 0.9255 -0.3222 -0.1991 0.3066 0.9459 -0.1057 0.2224 0.0368 0.9743 -0.015 -0.009 0.024 -2.01 -1.211 3.222 -0.717 -0.432 1.15 -0.671 -0.404 1.075 12 C 13 0.9368 -0.3002 -0.1797 0.3497 0.8201 0.453 0.0114 -0.4872 0.8732 -0.0035 -0.0021 0.0056 -1.883 -1.129 3.012 -0.672 -0.403 1.075 -0.628 -0.377 1.005 13 H 1 0.9875 -0.0072 0.1574 0.0047 0.9999 0.0161 -0.1575 -0.0151 0.9874 -0.0054 -0.0034 0.0089 -2.901 -1.833 4.733 -1.035 -0.654 1.689 -0.968 -0.611 1.579 14 H 1 0.6431 -0.5623 -0.5199 0.5953 0.7941 -0.1226 0.4818 -0.2306 0.8454 -0.0051 -0.0032 0.0083 -2.742 -1.706 4.448 -0.978 -0.609 1.587 -0.914 -0.569 1.484 15 H 1 0.9492 -0.2521 -0.1882 0.3015 0.8999 0.3151 0.09 -0.3558 0.9302 -0.0138 -0.0104 0.0242 -1.853 -1.389 3.242 -0.661 -0.496 1.157 -0.618 -0.463 1.081 16 C 13 0.9072 -0.0484 -0.4179 0.2206 0.9006 0.3746 0.3582 -0.432 0.8277 -0.0058 -0.0033 0.0092 -3.112 -1.776 4.888 -1.11 -0.634 1.744 -1.038 -0.593 1.631 17 H 1 0.902 -0.3574 -0.2422 0.3216 0.9305 -0.1753 0.288 0.0802 0.9543 -0.0035 -0.002 0.0055 -1.847 -1.08 2.927 -0.659 -0.385 1.045 -0.616 -0.36 0.976 18 H 1 0.7143 -0.6941 0.0889 0.646 0.7029 0.2975 -0.269 -0.1551 0.9506 -0.0052 -0.0025 0.0077 -2.793 -1.335 4.127 -0.996 -0.476 1.473 -0.931 -0.445 1.377 19 H 1 0.5557 0.6853 0.4708 0.7362 -0.6687 0.1044 -0.3864 -0.2885 0.8761 -0.0446 0.0119 0.0327 -5.984 1.59 4.393 -2.135 0.567 1.568 -1.996 0.53 1.465 20 C 13 0.8202 -0.4948 -0.2871 -0.1258 -0.6456 0.7532 0.558 0.5817 0.5918 -0.0277 -0.02 0.0477 -3.712 -2.684 6.396 -1.324 -0.958 2.282 -1.238 -0.895 2.133 21 C 13 -0.6796 0.7185 -0.148 -0.3905 -0.1836 0.9021 0.621 0.6709 0.4054 -0.0285 -0.0229 0.0514 -3.827 -3.075 6.903 -1.366 -1.097 2.463 -1.277 -1.026 2.302 22 C 13 0.5585 0.6611 0.501 0.7295 -0.679 0.0828 -0.3949 -0.3192 0.8615 -0.0219 0.0084 0.0135 -2.94 1.129 1.811 -1.049 0.403 0.646 -0.981 0.377 0.604 23 C 13 0.2069 0.4626 0.8621 0.8126 0.4094 -0.4148 -0.5448 0.7864 -0.2912 -0.0034 -6.0E-4 0.004 -1.809 -0.301 2.11 -0.645 -0.107 0.753 -0.603 -0.1 0.704 24 H 1 0.5508 0.676 0.4896 0.7073 -0.6895 0.1563 -0.4432 -0.2602 0.8578 -0.0209 0.0084 0.0126 -2.807 1.122 1.686 -1.002 0.4 0.601 -0.936 0.374 0.562 25 C 13 0.737 -0.6707 0.0835 -0.3555 -0.2795 0.8919 0.5749 0.687 0.4444 -0.0283 -0.0235 0.0517 -3.794 -3.148 6.942 -1.354 -1.123 2.477 -1.266 -1.05 2.316 26 C 13 0.6988 0.4293 0.5722 -0.5696 0.8178 0.0821 -0.4327 -0.3833 0.816 -0.0014 -4.0E-4 0.0018 -0.739 -0.196 0.936 -0.264 -0.07 0.334 -0.247 -0.066 0.312 27 H 1 0.7144 -0.6873 0.1313 0.5498 0.6674 0.5023 -0.4328 -0.2867 0.8547 -0.0042 -6.0E-4 0.0048 -2.255 -0.304 2.558 -0.805 -0.108 0.913 -0.752 -0.101 0.853 28 H 1 0.0784 -0.2547 0.9638 0.7649 0.6354 0.1057 -0.6393 0.729 0.2446 -0.0293 -0.0046 0.0339 -15.628 -2.443 18.071 -5.576 -0.872 6.448 -5.213 -0.815 6.028 29 H 1 0.7677 -0.2011 -0.6085 0.1244 0.9782 -0.1664 0.6287 0.0521 0.7759 -0.0295 -0.0044 0.0339 -15.737 -2.338 18.075 -5.615 -0.834 6.45 -5.249 -0.78 6.029 30 H 1 0.4551 0.6319 0.6274 -0.3759 0.7751 -0.5079 0.8072 0.0047 -0.5902 -0.0014 -4.0E-4 0.0018 -0.181 -0.054 0.235 -0.065 -0.019 0.084 -0.06 -0.018 0.078 31 C 13 0.5417 0.372 0.7538 -0.17 0.9267 -0.3352 0.8232 -0.0534 -0.5652 -7.0E-4 -4.0E-4 0.0012 -0.396 -0.227 0.623 -0.141 -0.081 0.222 -0.132 -0.076 0.208 32 H 1 0.5727 0.5244 0.6301 -0.2485 0.8435 -0.4761 0.7812 -0.1161 -0.6134 -9.0E-4 -9.0E-4 0.0018 -0.504 -0.455 0.958 -0.18 -0.162 0.342 -0.168 -0.152 0.32 33 H 1 0.3938 0.3167 0.8629 -0.1969 0.946 -0.2573 0.8978 0.0686 -0.4349 -9.0E-4 -6.0E-4 0.0015 -0.464 -0.336 0.799 -0.165 -0.12 0.285 -0.155 -0.112 0.267 34 H 1 PT343575.900S Fri Mar 6 00:41:37 2026 -10.55270 -10.55169 -10.55150 -10.55118 -10.54781 -10.54321 -10.54270 -10.54205 -10.54018 -10.53527 -10.53313 -7.10150 -5.09441 -5.08488 -5.08435 -2.06302 -2.05893 -2.05858 -2.05064 -2.05064 -0.98218 -0.96848 -0.89672 -0.88251 -0.87478 -0.85406 -0.80557 -0.78445 -0.77677 -0.77165 -0.76733 -0.67581 -0.66917 -0.66339 -0.65573 -0.57673 -0.57077 -0.55763 -0.54154 -0.51877 -0.51260 -0.50031 -0.49500 -0.48753 -0.48400 -0.47898 -0.47880 -0.46948 -0.46727 -0.45511 -0.44813 -0.44125 -0.43463 -0.41656 -0.41570 -0.40920 -0.40124 -0.38160 -0.35328 -0.31920 -0.31493 -0.30524 -0.29507 -0.29165 -0.24277 -0.00991 -0.00580 0.00185 0.00364 0.00478 0.00779 0.01092 0.01391 0.01498 0.01859 0.02027 0.02138 0.02264 0.02776 0.03285 0.03408 0.03559 0.03927 0.04198 0.04494 0.04570 0.05469 0.05687 0.05807 0.06026 0.06064 0.06594 0.06908 0.07347 0.07566 0.07706 0.08138 0.08472 0.08614 0.08831 0.08973 0.09130 0.09176 0.09557 0.09760 0.10253 0.10542 0.10628 0.10723 0.11030 0.11177 0.11249 0.11557 0.11871 0.11968 0.12170 0.12311 0.12541 0.12760 0.13065 0.13240 0.13477 0.13579 0.13701 0.13808 0.13926 0.14340 0.14407 0.14794 0.14989 0.15377 0.15714 0.16024 0.16282 0.16883 0.17315 0.17681 0.18194 0.18324 0.18577 0.18982 0.19067 0.19492 0.20012 0.20524 0.20842 0.21259 0.21733 0.22450 0.22719 0.23132 0.23398 0.23622 0.23771 0.24239 0.24768 0.25221 0.25277 0.25551 0.26003 0.26279 0.26483 0.26833 0.27115 0.27222 0.27363 0.27467 0.27692 0.27966 0.28344 0.28716 0.28959 0.29422 0.29693 0.29735 0.30200 0.30840 0.31283 0.31584 0.31732 0.31847 0.32275 0.32688 0.32793 0.33011 0.33651 0.33806 0.33954 0.34302 0.34470 0.34593 0.35130 0.35361 0.35535 0.35966 0.36292 0.36581 0.36851 0.37118 0.37303 0.37433 0.37943 0.38620 0.38870 0.39100 0.39605 0.39766 0.40465 0.40887 0.41213 0.41320 0.41473 0.41991 0.42435 0.42673 0.42838 0.43005 0.43430 0.44159 0.44370 0.44793 0.44946 0.45414 0.45924 0.46070 0.47238 0.47841 0.48229 0.48959 0.49348 0.49908 0.50313 0.50905 0.51129 0.51643 0.52437 0.52799 0.53427 0.53774 0.54875 0.55357 0.55525 0.56023 0.56607 0.57096 0.57464 0.57919 0.58463 0.58736 0.59471 0.59719 0.60663 0.61674 0.61842 0.62076 0.62355 0.62820 0.63050 0.63785 0.64633 0.64875 0.64935 0.65803 0.65926 0.66325 0.66924 0.67554 0.67846 0.68672 0.69105 0.69599 0.69984 0.70239 0.70740 0.71606 0.71906 0.72471 0.73030 0.73097 0.73602 0.74300 0.74399 0.74631 0.75306 0.75635 0.75952 0.76241 0.76421 0.77721 0.77958 0.78401 0.78652 0.79521 0.79660 0.80005 0.80396 0.80592 0.81114 0.81492 0.82154 0.82297 0.82579 0.82852 0.83551 0.84020 0.84573 0.85284 0.85699 0.85899 0.86072 0.86346 0.86837 0.87613 0.88059 0.88411 0.88608 0.88920 0.89476 0.90230 0.90454 0.90703 0.91140 0.91499 0.91951 0.92352 0.92676 0.92909 0.93042 0.93312 0.93990 0.94238 0.94695 0.95105 0.95408 0.95700 0.95960 0.96400 0.96720 0.96970 0.97466 0.97804 0.98250 0.98475 0.99215 0.99508 0.99785 1.00582 1.00751 1.01082 1.01486 1.02275 1.02730 1.02971 1.03243 1.03940 1.04530 1.04568 1.04847 1.05248 1.06036 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