Gaussian 16 4-Mar-2026 Gaussian 16 3-Jul-2019 ES64L-G16RevC.01 UM062X GenECP SP #pnosymm gfprint gfinput scf(maxcyc=200,xqc) m062x/genecp scrf(CPCM,solvent=benzene) sp temperature=403.15 empiricaldispersion=gd3 guess=readgeom=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 0 0 0 0 0 0 0 0 288.2567999999998 AuxInfo=1/0/N:1;2;3;4;5;6;12;13;14;15;16;17;22;23;24;25;27;29;33;34;35;36;38;40;7;8;9;10;11;18;19;20;21;26;28;30;31;32;37;39;41;42;43/rA:43nC0C0C0C0C0C0H0H0H0H0H0C0C0C0C0C0C0H0H0H0H0C0C0C0C0H0C0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.9143,.6463,3.9957;-.9787,-.3792,4.1559;-.0722,-.6591,3.1275;-.0845,.0822,1.9622;-.9813,1.1765,1.8059;-1.9436,1.3906,2.8311;-2.6328,.8478,4.782;-.9632,-.9628,5.0684;.6331,-1.4751,3.2393;-2.689,2.1669,2.6982;.5896,-.1678,1.1513;.0825,3.0323,1.7865;.0556,3.6807,.5533;.1684,5.0783,.5401;.307,5.7884,1.7255;.366,5.1113,2.9379;.2607,3.7146,2.9863;.1677,5.5986,-.4122;.3962,6.8679,1.7032;.5179,5.6586,3.8627;-1.2384,1.4765,.7968;.386,3.0224,4.2943;-.3859,3.4175,5.3912;1.3156,1.9951,4.4557;-.2437,2.7829,6.6193;-1.1153,4.2115,5.2696;1.4664,1.3669,5.6874;1.9192,1.6918,3.6077;.6843,1.7546,6.7704;-.8569,3.0893,7.4589;2.1926,.5697,5.7994;.7986,1.2619,7.729;-.0578,2.9434,-.7321;.7545,1.8326,-.9796;-.9621,3.3499,-1.717;.6586,1.1376,-2.1798;1.4748,1.5318,-.2268;-1.0587,2.6548,-2.9184;-1.6047,4.2035,-1.5303;-.2508,1.5459,-3.1522;1.2985,.2815,-2.3596;-1.7706,2.9758,-3.6698;-.3273,1.0043,-4.0875; g16 Output=mterPh_rad_PhHatt_d_maqzvp.log nprocshared=8 mem=32GB oldchk=mterPh_rad_PhHatt_d chk=mterPh_rad_PhHatt_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 36 37 38 39 40 41 42 43 12 12 12 12 12 12 1 1 1 1 1 12 12 12 12 12 12 1 1 1 1 12 12 12 12 1 12 1 12 1 1 1 12 12 12 12 1 12 1 12 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 0 1 0 1 1 1 0 0 0 0 1 0 1 0 1 1 1 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 (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) 7 8 9 10 11 18 19 20 21 26 28 30 31 32 37 39 41 42 43 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 12 13 14 15 16 17 22 23 24 25 27 29 33 34 35 36 38 40 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 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 1 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 6 No pseudopotential on this center. 14 6 No pseudopotential on this center. 15 6 No pseudopotential on this center. 16 6 No pseudopotential on this center. 17 6 No pseudopotential on this center. 18 1 No pseudopotential on this center. 19 1 No pseudopotential on this center. 20 1 No pseudopotential on this center. 21 1 No pseudopotential on this center. 22 6 No pseudopotential on this center. 23 6 No pseudopotential on this center. 24 6 No pseudopotential on this center. 25 6 No pseudopotential on this center. 26 1 No pseudopotential on this center. 27 6 No pseudopotential on this center. 28 1 No pseudopotential on this center. 29 6 No pseudopotential on this center. 30 1 No pseudopotential on this center. 31 1 No pseudopotential on this center. 32 1 No pseudopotential on this center. 33 6 No pseudopotential on this center. 34 6 No pseudopotential on this center. 35 6 No pseudopotential on this center. 36 6 No pseudopotential on this center. 37 1 No pseudopotential on this center. 38 6 No pseudopotential on this center. 39 1 No pseudopotential on this center. 40 6 No pseudopotential on this center. 41 1 No pseudopotential on this center. 42 1 No pseudopotential on this center. 43 1 No pseudopotential on this center. 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 43 43 43 1.00e+00 60 F Grimme-D3 -0.0033279787 C-PCM UFF Total charges None On-the-fly selection Benzene 2.270600 2.253301 0.000000 1.397286 0.000000 2.418913 1.399198 0.000000 2.793036 2.413383 1.381134 0.000000 2.438573 2.818225 2.437774 1.423460 0.000000 1.382445 2.412055 2.791311 2.433708 1.422238 0.000000 1.084025 2.152530 3.400716 3.876935 3.419384 2.139037 0.000000 2.155063 1.083299 2.157104 3.392944 3.901357 3.391906 2.479497 0.000000 3.400196 2.153856 1.084294 2.137990 3.419356 3.875314 4.294372 2.481132 0.000000 2.143803 3.395879 3.875320 3.416212 2.166306 1.084358 2.466824 4.288459 4.959097 0.000000 3.875951 3.395873 2.141216 1.083826 2.168822 3.415807 4.959580 4.287985 2.463869 4.311948 0.000000 3.815847 4.286946 3.930469 2.960011 2.139167 2.809168 4.595356 5.274908 4.767630 3.043201 3.301738 0.000000 4.993802 5.525449 5.047454 3.867013 2.985815 3.798624 5.756204 6.556348 5.842126 3.797956 3.931155 1.393563 0.000000 5.993413 6.646256 6.298392 5.200648 4.260008 4.827832 6.613341 7.634114 7.102674 4.614957 5.298333 2.397259 1.402171 0.000000 6.043990 6.752697 6.609111 5.724538 4.789174 5.062476 6.511052 7.639846 7.426784 4.799752 5.990567 2.765960 2.424870 1.388794 0.000000 5.123977 5.782458 5.790148 5.142640 4.310385 4.380570 5.529034 6.572691 6.598735 4.249686 5.577782 2.393429 2.798146 2.406165 1.389939 0.000000 3.894144 4.434311 4.388650 3.789726 3.062325 3.206896 4.451437 5.264151 5.209219 3.343507 4.306821 1.391645 2.441832 2.802061 2.427418 1.401501 0.000000 6.949027 7.610144 7.193426 6.010950 5.078834 5.716922 7.575684 8.623609 7.974129 5.441595 5.989469 3.380435 2.150098 1.085191 2.150661 3.391189 3.886818 0.000000 7.021648 7.773463 7.674947 6.807668 5.856676 6.062056 7.409165 8.630944 8.486607 5.710389 7.060041 3.849373 3.405416 2.146520 1.083414 2.147405 3.407084 2.477568 0.000000 5.572897 6.227428 6.387714 5.922094 5.154377 5.033834 5.823711 6.891356 7.161888 4.881845 6.426893 3.376075 3.883078 3.390942 2.151474 1.085280 2.147929 4.289645 2.478068 0.000000 3.373260 3.846319 3.369442 2.152625 1.083678 2.154753 4.268604 4.926676 4.263821 2.489148 2.484202 2.268202 2.567487 3.875240 4.673703 4.513338 3.471318 4.519935 5.706223 5.474891 0.000000 3.320675 3.667777 3.889118 3.782159 3.386617 3.198608 3.752325 4.278056 4.626247 3.568627 4.483064 2.526084 3.812814 4.285718 3.775648 2.490674 1.485177 5.369823 4.637016 2.674553 4.154634 0.000000 3.458789 4.036354 4.673498 4.792963 4.269736 3.617851 3.467397 4.429976 5.441215 3.757700 5.637648 3.655298 4.865087 5.157299 4.420207 3.074494 2.507976 6.224322 5.110623 2.859307 5.059865 1.398246 0.000000 3.530367 3.315295 3.276432 3.440455 3.601039 3.691536 4.124655 3.783882 3.740061 4.376658 4.015527 3.117802 4.433685 5.114031 4.781253 3.593898 2.495743 6.164316 5.671518 3.795994 4.492141 1.394866 2.407008 0.000000 3.773565 4.075261 4.906119 5.385861 5.127728 4.379386 3.581650 4.117494 5.506765 4.661993 6.269051 4.850200 6.139390 6.511121 5.769351 4.398349 3.784383 7.585442 6.423805 4.055680 6.049604 2.420672 1.389705 2.780935 0.000000 3.869427 4.725825 5.422155 5.389998 4.607196 3.819704 3.722246 5.180476 6.286232 3.642704 6.248673 3.867420 4.888346 4.976612 4.131557 2.905195 2.711789 5.987669 4.696856 2.596256 5.244148 2.149178 1.084978 3.388842 2.149943 0.000000 3.848424 3.372384 3.609014 4.234663 4.592777 4.448285 4.229964 3.422526 3.842493 5.180972 4.868308 4.461550 5.805437 6.477127 6.049018 4.774002 3.776452 7.536485 6.876109 4.759030 5.589789 2.418431 2.779199 1.390867 2.407944 3.864138 0.000000 3.992437 3.603809 3.118161 3.051727 3.453282 3.951622 4.776194 4.181960 3.437903 4.721051 3.355566 2.913261 4.093693 4.893198 4.787948 3.815030 2.688628 5.872845 5.721840 4.214856 4.232954 2.143099 3.387146 1.084179 3.865096 4.280103 2.153094 0.000000 3.959869 3.762265 4.435003 5.148454 5.268319 4.749429 3.972340 3.604943 4.785675 5.304003 5.939666 5.180164 6.538971 7.080228 6.470355 5.104606 4.282663 8.162919 7.204633 4.870764 6.281595 2.797815 2.411061 2.411337 1.393423 3.395250 1.391025 3.395883 0.000000 4.368157 4.791181 5.781684 6.312904 5.969174 5.048134 3.917166 4.705927 6.392141 5.183849 7.244865 5.749962 6.990729 7.271663 6.442983 5.101307 4.652418 8.324708 6.998389 4.628651 6.865173 3.400639 2.145993 3.864819 1.083898 2.473755 3.391589 4.948970 2.151956 0.000000 4.486148 3.695765 3.711893 4.488483 5.137110 5.156803 4.939272 3.583553 3.628734 5.999813 4.971772 5.159436 6.462715 7.216925 6.883812 5.670141 4.640711 8.244602 7.724872 5.696719 6.133495 3.397765 3.863308 2.146242 3.392044 4.948247 1.084120 2.477386 2.149771 4.289696 0.000000 4.655785 4.315000 5.061852 5.952043 6.185326 5.614763 4.542095 3.890018 5.260831 6.187965 6.734552 6.241775 7.608749 8.163394 7.534747 6.161085 5.366416 9.245710 8.240133 5.861572 7.228442 3.881590 3.393379 3.394041 2.152021 4.290872 2.150619 4.292541 1.083776 2.480481 2.479033 0.000000 5.574533 5.981622 5.279675 3.930229 3.227443 4.320172 6.436381 7.051500 5.981020 4.392362 3.694067 2.524100 1.486163 2.495457 3.777204 4.283535 3.810826 2.683830 4.640975 5.368075 2.425531 5.046569 6.150349 5.449644 7.355521 6.224675 6.783692 4.930402 7.632314 8.231229 7.304738 8.668958 0.000000 5.769168 5.853977 4.874469 3.524537 3.347042 4.690042 6.755674 6.880607 5.362361 5.049268 2.927396 3.089059 2.500742 3.631431 4.813175 5.123294 4.417447 3.853397 5.716663 6.175974 2.693340 5.418996 6.663271 5.466592 7.722903 6.943169 6.721058 4.734938 7.750762 8.682457 7.044015 8.727391 1.398187 0.000000 6.391474 6.956767 6.350858 4.998483 4.139426 5.048492 7.161561 8.039930 7.098600 4.886228 4.796812 3.669710 2.509835 3.059396 4.405465 5.151199 4.873281 2.834656 5.091090 6.217213 3.147242 6.169298 7.131787 6.717548 8.386393 7.041167 8.040829 6.277231 8.791607 9.180239 8.612651 9.832916 1.397516 2.406789 0.000000 6.707996 6.717251 5.650590 4.338466 4.310049 5.651911 7.706023 7.718621 6.016052 6.004984 3.578362 4.433203 3.781634 4.813224 6.083224 6.485931 5.786815 4.823458 6.926992 7.547948 3.545914 6.748367 7.975468 6.722807 8.996957 8.251579 7.911842 5.949013 8.971484 9.950412 8.145108 9.910524 2.422809 1.390197 2.781242 0.000000 5.486253 5.373895 4.294659 3.053583 3.207888 4.588660 6.513620 6.340737 4.665116 5.127904 2.360319 2.871123 2.690845 3.856471 4.826442 4.904907 4.069681 4.275728 5.776054 5.888185 2.900375 4.883387 6.211228 4.707994 7.168505 6.640731 5.916451 3.863417 7.045230 8.181245 6.144549 7.988994 2.144049 1.084502 3.385998 2.153089 0.000000 7.250569 7.697827 6.964789 5.602504 4.950801 5.952972 8.064646 8.768387 7.604962 5.868701 5.219829 4.856030 3.787677 4.397739 5.766336 6.508505 6.142375 4.055907 6.420737 7.582331 3.901725 7.365126 8.371553 7.774926 9.573318 8.334827 9.060591 7.237745 9.885443 10.388385 9.535113 10.897535 2.421758 2.778937 1.391332 2.407638 3.863247 0.000000 6.579266 7.329772 6.905741 5.611972 4.547728 5.200906 7.222377 8.405066 7.746204 4.817034 5.578066 3.901283 2.715008 2.862852 4.094786 4.967209 4.911045 2.517448 4.643105 5.975586 3.603651 6.267707 7.071795 7.016958 8.383741 6.817510 8.341081 6.717590 8.952082 9.088884 9.019356 10.008181 2.148940 3.389720 1.084617 3.865782 4.280284 2.150170 0.000000 7.393811 7.592310 6.657954 5.322353 5.025223 6.220069 8.313353 8.624287 7.124497 6.368433 4.707753 5.168322 4.287431 5.127077 6.488682 7.083983 6.530372 4.909902 7.233112 8.167919 4.071213 7.618139 8.747015 7.780442 9.849510 8.875774 9.006615 7.101140 9.968788 10.739917 9.330284 10.935355 2.801299 2.411013 2.412544 1.392606 3.396484 1.391818 3.395082 0.000000 7.130533 6.933503 5.733393 4.542119 4.832198 6.219679 8.171750 7.863725 5.905600 6.710833 3.609805 5.122102 4.645909 5.717913 6.928062 7.229180 6.437518 5.774291 7.791130 8.260789 4.222174 7.253959 8.529149 7.027449 9.447583 8.914927 8.121617 6.163023 9.268502 10.437124 8.212939 10.148458 3.402064 2.146232 3.865012 1.083804 2.478585 3.391323 4.949570 2.151048 0.000000 8.012881 8.551207 7.893038 6.552504 5.817498 6.693561 8.758035 9.618691 8.562894 6.484457 6.220577 5.762651 4.654650 5.089509 6.429335 7.265461 6.998174 4.609466 6.979398 8.317006 4.741448 8.251007 9.176736 8.746952 10.403531 9.048095 10.031097 8.259812 10.794242 11.166715 10.543291 11.809712 3.400665 3.862618 2.146355 3.391199 4.946925 1.083696 2.472214 2.149981 4.288930 0.000000 8.245277 8.384010 7.408687 6.124457 5.932101 7.115372 9.165544 9.386373 7.794359 7.278340 5.446080 6.227754 5.370904 6.185282 7.555238 8.167320 7.598003 5.904224 8.272695 9.251115 4.990956 8.650800 9.781215 8.755976 10.853878 9.922808 9.944734 8.045842 10.930761 11.745137 10.212256 11.872819 3.884773 3.393444 3.394704 2.151591 4.293171 2.150781 4.290167 1.083476 2.480186 2.478764 0.000000 0.4587538 0.1790538 0.1457344 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= 2424 2423 2424 2424 2424 MxSgAt= 43 MxSgA2= 43. 1 open 1 1 1 -925.812680661932 -925.868409904658 -0.055729242726 -925.925845198264 -0.057435293606 -925.925952406216 -0.000107207952 -925.925995749517 -0.000043343301 -925.925999271438 -0.000003521921 -925.925999673252 -0.000000401814 -925.925999733894 -0.000000060641 -925.925999746689 -0.000000012795 -925.925999751332 -0.000000004644 -925.925999752752 -0.000000001420 -925.925999753191 -0.000000000439 -925.925999753347 -0.000000000156 -925.925999753373 -0.000000000026 -925.925999753401 -0.000000000028 -925.925999753398 0.000000000003 -925.925999753 16 0.7875 9.216445456633e+02 -5.906143650206e+03 2.179273020728e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4294967296 LenX= 4282542209 LenY= 4276344599 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. 0.7875 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 36 37 38 39 40 41 42 43 C C C C C C H H H H H C C C C C C H H H H C C C C H C H C H H H C C C C H C H C H H H 13 13 13 13 13 13 1 1 1 1 1 13 13 13 13 13 13 1 1 1 1 13 13 13 13 1 13 1 13 1 1 1 13 13 13 13 1 13 1 13 1 1 1 -0.02669 0.04020 -0.02695 0.04051 -0.01614 0.03999 0.00117 -0.00409 0.00119 -0.00373 -0.00360 0.42043 -0.00051 0.02766 -0.00536 0.02730 -0.00229 0.00244 0.00071 0.00233 0.01900 0.01147 -0.00192 -0.00144 0.00012 0.00015 0.00239 0.00000 0.00062 -0.00000 -0.00002 -0.00000 0.01087 -0.00157 -0.00191 0.00030 -0.00004 0.00037 0.00014 -0.00046 0.00005 -0.00002 0.00005 -30.00725 45.18938 -30.29224 45.54147 -18.14938 44.95824 5.21817 -18.26330 5.30778 -16.67203 -16.09812 472.64159 -0.57220 31.08985 -6.02479 30.69387 -2.57584 10.92436 3.18878 10.43562 84.93252 12.89391 -2.15505 -1.61738 0.13504 0.65083 2.68524 0.00697 0.69965 -0.01210 -0.09626 -0.00947 12.22337 -1.76343 -2.14477 0.33215 -0.17528 0.41599 0.60779 -0.51289 0.24372 -0.07822 0.23206 -10.70733 16.12469 -10.80903 16.25033 -6.47615 16.04222 1.86197 -6.51680 1.89395 -5.94899 -5.74421 168.65027 -0.20418 11.09363 -2.14979 10.95234 -0.91912 3.89808 1.13784 3.72369 30.30604 4.60087 -0.76898 -0.57712 0.04819 0.23223 0.95816 0.00249 0.24965 -0.00432 -0.03435 -0.00338 4.36160 -0.62924 -0.76531 0.11852 -0.06255 0.14844 0.21688 -0.18301 0.08697 -0.02791 0.08280 -10.00934 15.07355 -10.10440 15.19100 -6.05398 14.99645 1.74060 -6.09198 1.77048 -5.56119 -5.36975 157.65626 -0.19087 10.37046 -2.00965 10.23837 -0.85921 3.64397 1.06366 3.48095 28.33044 4.30095 -0.71885 -0.53950 0.04505 0.21709 0.89570 0.00233 0.23338 -0.00404 -0.03211 -0.00316 4.07728 -0.58822 -0.71542 0.11079 -0.05847 0.13876 0.20274 -0.17108 0.08130 -0.02609 0.07741 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 36 37 38 39 40 41 42 43 -0.011810 0.030029 -0.017429 0.037536 -0.011992 0.030910 -0.001348 -0.011414 -0.002245 0.010078 0.000246 -0.270889 -0.070928 -0.005944 -0.034775 -0.005439 -0.071057 -0.003704 -0.002007 -0.003483 0.003113 -0.010770 -0.002586 -0.001129 -0.001411 -0.001571 0.000924 0.002037 -0.001659 -0.000803 0.000513 -0.000704 -0.010845 -0.001396 -0.001934 -0.000961 -0.001254 -0.000551 -0.000760 -0.001900 -0.000775 -0.000454 -0.000422 -0.008470 0.033959 -0.007518 0.037302 -0.039315 0.041651 0.001451 0.000623 -0.001350 0.005297 -0.002835 0.675822 0.022717 0.031111 0.022368 0.030659 0.026176 0.000945 0.001318 0.001431 -0.000141 -0.007335 -0.001273 -0.003646 -0.000229 -0.000420 -0.001987 -0.003053 -0.000416 -0.000421 -0.000878 -0.000735 -0.006993 -0.004625 -0.001241 -0.000948 -0.002437 -0.000737 -0.001018 -0.000824 -0.000421 -0.000583 -0.000414 0.020280 -0.063989 0.024947 -0.074838 0.051307 -0.072561 -0.000103 0.010792 0.003595 -0.015376 0.002589 -0.404933 0.048211 -0.025167 0.012408 -0.025220 0.044881 0.002759 0.000688 0.002052 -0.002972 0.018105 0.003860 0.004775 0.001640 0.001991 0.001063 0.001016 0.002075 0.001224 0.000365 0.001439 0.017837 0.006021 0.003175 0.001909 0.003690 0.001288 0.001778 0.002724 0.001196 0.001037 0.000836 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 36 37 38 39 40 41 42 43 -0.055962 0.168469 -0.054802 0.155710 -0.085337 0.156395 -0.002236 0.007442 0.000150 -0.008736 -0.000008 0.099654 -0.009111 0.002625 0.004607 0.007212 -0.001735 0.000072 -0.000148 0.001037 0.004480 0.002425 -0.001461 -0.002299 0.000318 -0.000224 0.002430 -0.001668 0.000666 -0.000011 -0.000309 0.000128 0.003333 -0.004943 -0.002127 0.000703 -0.002344 0.001029 -0.000397 -0.002312 -0.000296 0.000006 -0.000096 -0.035526 0.105671 -0.041350 0.083501 -0.029174 0.088680 0.000718 0.004835 -0.002948 0.003837 -0.012094 -0.014079 0.018673 -0.001316 0.003581 -0.002159 0.001327 -0.000249 0.000197 0.001071 0.004067 0.005162 -0.000908 0.003067 -0.000412 -0.001260 0.003646 0.005869 0.001268 -0.000237 0.001663 0.000578 -0.000123 -0.001419 0.003192 -0.001422 -0.005906 0.000207 0.001800 0.001627 -0.000837 0.000538 0.000076 -0.042262 0.099880 -0.039662 0.087626 -0.035680 0.094191 -0.003829 -0.013175 -0.002260 0.000297 0.010710 -0.029028 -0.044987 -0.006358 -0.000599 0.003481 0.043390 -0.004700 -0.000049 0.004546 0.006712 -0.003411 0.000841 -0.002121 0.000403 0.001913 0.000706 -0.002529 0.001156 0.000539 -0.000619 0.000048 0.004971 0.003011 0.000630 0.000415 0.003665 -0.000603 -0.001454 0.001540 0.000879 -0.000247 0.000125 0.6329 0.6388 0.4374 0.7362 -0.3216 -0.5955 -0.2398 0.6989 -0.6738 -0.0928 0.0414 0.0515 -12.459 5.552 6.907 -4.446 1.981 2.465 -4.156 1.852 2.304 1 C 13 0.7625 -0.5302 -0.3707 0.0255 -0.548 0.8361 0.6465 0.647 0.4044 -0.1385 -0.1262 0.2647 -18.584 -16.94 35.524 -6.631 -6.045 12.676 -6.199 -5.651 11.85 2 C 13 0.6631 0.6118 0.4313 0.7119 -0.6934 -0.1111 -0.2311 -0.3807 0.8953 -0.0949 0.0424 0.0525 -12.732 5.689 7.043 -4.543 2.03 2.513 -4.247 1.898 2.349 3 C 13 0.1393 -0.5757 0.8057 0.7399 -0.4802 -0.471 0.6581 0.6618 0.3591 -0.123 -0.1167 0.2397 -16.507 -15.656 32.163 -5.89 -5.587 11.477 -5.506 -5.222 10.729 4 C 13 0.6265 0.7368 0.254 0.7761 -0.5602 -0.2896 0.0711 -0.3785 0.9228 -0.1242 0.0605 0.0637 -16.663 8.116 8.547 -5.946 2.896 3.05 -5.558 2.707 2.851 5 C 13 -0.0535 -0.4515 0.8907 0.7645 -0.5923 -0.2544 0.6424 0.6673 0.3769 -0.1256 -0.1198 0.2454 -16.859 -16.071 32.93 -6.016 -5.735 11.75 -5.623 -5.361 10.984 6 C 13 0.4413 0.6537 0.6147 0.8401 -0.0601 -0.5391 -0.3155 0.7543 -0.5757 -0.0037 -0.0016 0.0053 -1.952 -0.88 2.832 -0.697 -0.314 1.011 -0.651 -0.293 0.945 7 H 1 0.7638 -0.5348 -0.3615 0.6454 0.6259 0.4378 -0.0078 -0.5677 0.8232 -0.0189 -9.0E-4 0.0198 -10.091 -0.49 10.581 -3.601 -0.175 3.776 -3.366 -0.163 3.529 8 H 1 0.8215 0.362 0.4405 -0.4545 0.8823 0.1226 -0.3443 -0.3009 0.8893 -0.0038 -0.0017 0.0055 -2.006 -0.929 2.935 -0.716 -0.331 1.047 -0.669 -0.31 0.979 9 H 1 -0.172 -0.0839 0.9815 0.5758 0.7999 0.1693 0.7993 -0.5943 0.0893 -0.0161 -9.0E-4 0.017 -8.576 -0.495 9.072 -3.06 -0.177 3.237 -2.861 -0.165 3.026 10 H 1 0.5046 -0.5546 0.6617 0.6775 0.7294 0.0947 -0.5352 0.4006 0.7437 -0.0156 -0.0015 0.0171 -8.327 -0.775 9.102 -2.971 -0.277 3.248 -2.778 -0.259 3.036 11 H 1 0.0897 0.0184 0.9958 0.9905 -0.1059 -0.0872 0.1038 0.9942 -0.0278 -0.4067 -0.2803 0.687 -54.58 -37.614 92.194 -19.476 -13.422 32.897 -18.206 -12.547 30.753 12 C 13 0.9896 0.0276 -0.1412 0.0619 0.8043 0.591 0.1299 -0.5936 0.7942 -0.0738 -0.011 0.0849 -9.91 -1.482 11.392 -3.536 -0.529 4.065 -3.305 -0.494 3.8 13 C 13 0.0512 0.1083 0.9928 0.9961 -0.0776 -0.0429 0.0724 0.9911 -0.1118 -0.0259 -0.0061 0.032 -3.479 -0.817 4.297 -1.242 -0.292 1.533 -1.161 -0.273 1.433 14 C 13 0.9939 -0.08 -0.0754 0.0776 0.0247 0.9967 0.0779 0.9965 -0.0307 -0.0354 0.0127 0.0227 -4.753 1.7 3.052 -1.696 0.607 1.089 -1.585 0.567 1.018 15 C 13 0.1325 -0.0779 0.9881 0.9738 -0.1758 -0.1444 0.185 0.9813 0.0525 -0.0258 -0.0064 0.0322 -3.46 -0.862 4.322 -1.235 -0.307 1.542 -1.154 -0.287 1.442 16 C 13 0.9994 0.0275 -0.0217 -0.035 0.7776 -0.6278 -4.0E-4 0.6282 0.778 -0.0711 -0.0088 0.0799 -9.545 -1.178 10.724 -3.406 -0.42 3.827 -3.184 -0.393 3.577 17 C 13 0.9913 0.0852 0.0999 -0.1292 0.7668 0.6288 -0.023 -0.6362 0.7712 -0.0037 -0.0029 0.0066 -1.986 -1.559 3.545 -0.709 -0.556 1.265 -0.663 -0.52 1.182 18 H 1 0.9965 0.043 -0.0716 0.0673 0.0948 0.9932 -0.0495 0.9946 -0.0916 -0.002 7.0E-4 0.0013 -1.082 0.372 0.71 -0.386 0.133 0.253 -0.361 0.124 0.237 19 H 1 0.9886 -0.1225 -0.0872 0.0296 0.7271 -0.6858 0.1474 0.6755 0.7225 -0.0037 -0.0028 0.0065 -1.977 -1.502 3.479 -0.706 -0.536 1.241 -0.66 -0.501 1.161 20 H 1 -0.0379 -0.6165 0.7865 0.7665 -0.5228 -0.3729 0.6411 0.5887 0.4923 -0.0084 -0.0019 0.0104 -4.497 -1.025 5.522 -1.605 -0.366 1.971 -1.5 -0.342 1.842 21 H 1 0.8632 -0.4665 -0.193 0.479 0.8775 0.0215 0.1593 -0.111 0.981 -0.0132 -0.0061 0.0193 -1.776 -0.818 2.594 -0.634 -0.292 0.926 -0.592 -0.273 0.865 22 C 13 0.8476 0.5288 0.0439 -0.5022 0.8261 -0.2555 -0.1714 0.1945 0.9658 -0.0035 -6.0E-4 0.0042 -0.476 -0.087 0.562 -0.17 -0.031 0.201 -0.159 -0.029 0.188 23 C 13 0.4871 0.8726 0.0365 0.7706 -0.4098 -0.4881 0.411 -0.2659 0.872 -0.005 -0.0018 0.0069 -0.673 -0.248 0.921 -0.24 -0.089 0.329 -0.225 -0.083 0.307 24 C 13 0.9494 -0.2724 0.1562 0.2944 0.9451 -0.1418 -0.109 0.1806 0.9775 -0.0016 -2.0E-4 0.0018 -0.211 -0.026 0.236 -0.075 -0.009 0.084 -0.07 -0.009 0.079 25 C 13 0.8258 -0.3702 0.4254 0.51 0.8123 -0.2831 -0.2407 0.4508 0.8596 -0.0021 -0.0012 0.0033 -1.131 -0.655 1.786 -0.403 -0.234 0.637 -0.377 -0.218 0.596 26 H 1 -0.6302 0.6827 0.3698 0.3337 0.6682 -0.665 0.7011 0.2957 0.6489 -0.0038 -0.0015 0.0053 -0.516 -0.198 0.714 -0.184 -0.071 0.255 -0.172 -0.066 0.238 27 C 13 -0.4596 0.5511 0.6965 0.543 0.7949 -0.2707 0.7028 -0.2538 0.6646 -0.0049 -0.0033 0.0082 -2.592 -1.777 4.369 -0.925 -0.634 1.559 -0.865 -0.593 1.457 28 H 1 0.9492 -0.2176 -0.2272 0.1108 0.9071 -0.4061 0.2944 0.3603 0.8851 -0.0021 -9.0E-4 0.003 -0.284 -0.114 0.398 -0.101 -0.041 0.142 -0.095 -0.038 0.133 29 C 13 0.9714 -0.1774 0.158 0.2137 0.943 -0.2549 -0.1037 0.2814 0.954 -8.0E-4 -6.0E-4 0.0014 -0.448 -0.304 0.752 -0.16 -0.108 0.268 -0.149 -0.101 0.251 30 H 1 -0.5109 0.5292 0.6774 0.5025 0.8232 -0.2642 0.6975 -0.2054 0.6865 -0.0014 -9.0E-4 0.0022 -0.732 -0.463 1.195 -0.261 -0.165 0.426 -0.244 -0.154 0.399 31 H 1 0.8278 -0.5271 -0.1922 0.5041 0.8492 -0.1574 0.2462 0.0334 0.9687 -9.0E-4 -7.0E-4 0.0016 -0.491 -0.356 0.847 -0.175 -0.127 0.302 -0.164 -0.119 0.283 32 H 1 0.8375 -0.539 0.0902 0.5462 0.8203 -0.1697 0.0174 0.1914 0.9814 -0.013 -0.0058 0.0188 -1.745 -0.778 2.523 -0.623 -0.278 0.9 -0.582 -0.26 0.842 33 C 13 0.5567 0.8224 -0.117 0.7649 -0.4526 0.4584 -0.324 0.3446 0.881 -0.0084 7.0E-4 0.0077 -1.127 0.091 1.036 -0.402 0.032 0.37 -0.376 0.03 0.346 34 C 13 0.776 0.5237 -0.3514 -0.444 0.8494 0.2853 0.4479 -0.0654 0.8917 -0.0048 1.0E-4 0.0047 -0.646 0.011 0.635 -0.231 0.004 0.227 -0.216 0.004 0.212 35 C 13 0.7529 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-0.374 -0.288 0.662 -0.134 -0.103 0.236 -0.125 -0.096 0.221 42 H 1 PT376396.200S Thu Mar 5 03:41:36 2026 -10.55560 -10.55170 -10.55151 -10.55089 -10.55030 -10.55026 -10.54991 -10.54956 -10.54746 -10.54676 -10.54663 -10.54633 -10.54597 -10.54585 -10.54550 -10.54486 -10.54351 -10.54335 -10.54323 -0.98671 -0.96993 -0.95801 -0.95271 -0.88943 -0.86860 -0.84972 -0.84560 -0.84417 -0.84216 -0.82071 -0.81347 -0.71731 -0.71135 -0.69263 -0.69207 -0.68893 -0.68301 -0.65956 -0.65138 -0.61169 -0.59841 -0.58814 -0.56377 -0.54597 -0.53962 -0.53435 -0.52570 -0.52361 -0.51304 -0.50968 -0.49814 -0.49341 -0.48971 -0.48811 -0.48687 -0.48446 -0.47732 -0.45078 -0.44627 -0.43519 -0.43377 -0.42947 -0.41289 -0.40668 -0.40405 -0.40144 -0.39822 -0.39249 -0.34892 -0.33645 -0.33204 -0.31723 -0.31524 -0.30190 -0.29583 -0.28172 -0.22622 -0.01314 -0.00851 -0.00682 -0.00048 0.00141 0.00451 0.00837 0.01203 0.01245 0.01328 0.01605 0.01800 0.02012 0.02086 0.02479 0.02571 0.02706 0.03249 0.03426 0.03488 0.04043 0.04202 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