Gaussian 16 5-Oct-2025 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 geom=checkpoint guess=read 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 0 180.16049999999996 AuxInfo=1/0/N:1,6,13,14,2,5,11,15,7,8,3,4,10,9;25/E:(1,2,3,4)(5,6,7,8)(9,10)(11,12,13,14);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3;1.3/rA:28nC3C3C3C3C3C3C3C3C3C3C3HC3C3C3HHHHHHHHHC3HHH/rB:s1;s2;s3;s4;s1s5;s3;s4;s8;s7s9;s10;s11;s11;s13;s9s14;s7;s1;s2;s5;s6;s8;s13;s14;s15;;s25;s25;s25;/rC:-9.3916,-1.4568,-.0695;-8.0394,-1.4346,.1174;-7.3076,-.2105,.0343;-8.0234,.9959,-.241;-9.4309,.9356,-.4278;-10.0995,-.2551,-.3494;-5.916,-.1665,.1953;-7.321,2.2256,-.2631;-5.9051,2.2412,-.2366;-5.2001,1.0283,.0384;-3.7748,1.0721,.1252;-3.2408,.1517,.3362;-3.0971,2.243,-.0577;-3.8019,3.4467,-.3368;-5.1672,3.442,-.4189;-5.3767,-1.0847,.4064;-9.9342,-2.3926,-.0065;-7.4957,-2.3491,.3289;-9.9674,1.8564,-.633;-11.1721,-.2892,-.4983;-7.8451,3.1183,-.5891;-2.0157,2.2617,.0077;-3.25,4.3676,-.4822;-5.7103,4.359,-.6236;-7.7051,2.8703,1.9397;-7.2086,2.0249,2.3979;-7.1889,3.8213,1.9517;-8.7871,2.881,1.9485; g16 Output=9-Me-anthracene_d_sC8C25_17ts_qzvpd.log nprocshared=10 mem=40GB oldchk=9-Me-anthracene_d_sC8C25_17ts chk=9-Me-anthracene_d_sC8C25_17ts_qzvpd #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 qz 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 12 12 12 12 12 12 12 12 12 12 12 1 12 12 12 1 1 1 1 1 1 1 1 1 12 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 1 1 1 1 1 0 1 1 1 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 (Enter /opt/software/gaussian/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) 12 16 17 18 19 20 21 22 23 24 26 27 28 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 P 1 1.00 8.4063199228e-02 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 8 9 10 11 13 14 15 25 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 S 1 1.00 4.4981404899e-02 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 D 1 1.00 7.6889830417e-02 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 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 6 No pseudopotential on this center. 9 6 No pseudopotential on this center. 10 6 No pseudopotential on this center. 11 6 No pseudopotential on this center. 12 1 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 1 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 1 No pseudopotential on this center. 21 1 No pseudopotential on this center. 22 1 No pseudopotential on this center. 23 1 No pseudopotential on this center. 24 1 No pseudopotential on this center. 25 6 No pseudopotential on this center. 26 1 No pseudopotential on this center. 27 1 No pseudopotential on this center. 28 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 28 28 28 1.00e+00 60 F Grimme-D3 -0.0013733717 C-PCM UFF Total charges None On-the-fly selection Benzene 2.270600 2.253301 0.000000 1.365246 0.000000 2.430483 1.428585 0.000000 2.813734 2.456834 1.429584 0.000000 2.419337 2.801989 2.456768 1.421139 0.000000 1.422510 2.419308 2.818508 2.426253 1.367721 0.000000 3.716861 2.474473 1.401589 2.446056 3.736052 4.219770 0.000000 4.229021 3.749348 2.454207 1.416303 2.478518 3.725702 2.811884 0.000000 5.085111 4.265148 2.837403 2.457220 3.764665 4.882275 2.446151 1.416263 0.000000 4.873972 3.759424 2.444551 2.837281 4.257434 5.079464 1.401636 2.454124 1.429584 0.000000 6.162876 4.946688 3.759436 4.265029 5.684716 6.479782 2.474549 3.749256 2.456771 1.428602 0.000000 6.370619 5.058767 4.094050 4.890789 6.286213 6.904890 2.697737 4.616140 3.434030 2.167059 1.084792 0.000000 7.301299 6.162892 4.873998 5.084999 6.477925 7.440313 3.716943 4.228921 2.813658 2.430517 1.365239 2.132907 0.000000 7.440446 6.479924 5.079604 4.882279 6.164415 7.304962 4.219935 3.725676 2.426265 2.818623 2.419339 3.409522 1.422507 0.000000 6.478081 5.684875 4.257586 3.764693 4.945891 6.164447 3.736197 2.478487 1.421159 2.456849 2.801981 3.886762 2.419296 1.367724 0.000000 4.060132 2.701124 2.151976 3.428320 4.605904 4.854315 1.085517 3.897003 3.428383 2.151999 2.701185 2.468948 4.060190 4.854444 4.606015 0.000000 1.083575 2.126853 3.415045 3.897198 3.392243 2.171148 4.598101 5.312455 6.144777 5.840881 7.068175 7.168914 8.260575 8.474169 7.545640 4.759453 0.000000 2.132967 1.084801 2.167024 3.434063 3.886778 3.409539 2.697621 4.616183 4.890862 4.094000 5.058731 4.935455 6.370598 6.904991 6.286330 2.468827 2.461876 0.000000 3.409743 3.887261 3.433944 2.161710 1.085289 2.134543 4.603526 2.697438 4.099647 4.884993 6.287885 7.006608 6.905101 6.374115 5.059797 5.550213 4.295079 4.972043 0.000000 2.171913 3.391849 3.901827 3.410515 2.129893 1.083415 5.303106 4.605414 5.849100 6.139037 7.547234 7.987265 8.474114 8.264497 7.070105 5.919285 2.489674 4.294590 2.464357 0.000000 4.857211 4.611399 3.429001 2.158053 2.702784 4.064343 3.889308 1.085236 2.158038 3.428940 4.611307 5.554852 4.857114 4.064331 2.702782 4.974802 5.922254 5.554914 2.469436 4.763135 0.000000 8.260553 7.068175 5.840894 6.144650 7.545459 8.474008 4.598183 5.312352 3.897112 3.415077 2.126860 2.461819 1.083565 2.171080 3.392169 4.759519 9.185050 7.168881 7.987711 9.518496 5.922135 0.000000 8.474271 7.547395 6.139189 5.849120 7.070093 8.264520 5.303278 4.605394 3.410534 3.901946 3.391896 4.294576 2.171950 1.083419 2.129899 5.919422 9.518688 7.987386 7.173007 9.189413 4.763139 2.489635 0.000000 6.905256 6.288038 4.885128 4.099676 5.059809 6.374157 4.603641 2.697390 2.161719 3.433999 3.887254 4.972028 3.409726 2.134565 1.085290 5.550302 7.987896 7.006722 4.938190 7.173032 2.469437 4.295029 2.464390 0.000000 5.060144 4.686632 3.644151 2.893075 3.511001 4.554236 3.932710 2.327131 2.893450 3.644557 4.687502 5.467382 5.061237 4.555133 3.511481 4.838857 6.037816 5.466404 3.572779 5.286435 2.544760 6.039188 5.287252 3.572903 0.000000 4.793263 4.225926 3.254705 2.947239 3.756350 4.593775 3.365184 2.670958 2.947312 3.254913 4.226535 4.848024 4.793933 4.594115 3.756317 4.122063 5.720507 4.847203 4.101901 5.426960 3.243887 5.721476 5.427152 4.101535 1.082247 0.000000 6.065891 5.631324 4.466046 3.672435 4.360779 5.512080 4.539585 2.732980 2.988935 3.926430 4.748680 5.627034 4.824020 4.104789 3.138626 5.453490 7.069912 6.387636 4.273328 6.226082 2.716724 5.742244 4.662334 3.017877 1.082068 1.851098 0.000000 4.822258 4.747207 3.925603 2.988388 3.137917 4.103382 4.539200 2.733185 3.672879 4.466238 5.631959 6.388282 6.066896 5.513122 4.361534 5.453025 5.740119 5.625421 3.017842 4.661051 2.717216 7.071175 6.227172 4.273983 1.082072 1.851040 1.854254 0.000000 1.3901754 0.4261032 0.3580157 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= 1661 1661 1661 1661 1661 MxSgAt= 28 MxSgA2= 28. 1 open 1 1 1 -579.288201391601 -579.323800010670 -0.035598619069 -579.360602264370 -0.036802253700 -579.360659781808 -0.000057517438 -579.360692124369 -0.000032342561 -579.360695488517 -0.000003364148 -579.360695634675 -0.000000146159 -579.360695679108 -0.000000044433 -579.360695693539 -0.000000014432 -579.360695702836 -0.000000009296 -579.360695707414 -0.000000004579 -579.360695709991 -0.000000002577 -579.360695710253 -0.000000000263 -579.360695710289 -0.000000000036 -579.360695710287 0.000000000002 -579.360695710 15 0.8121 5.766796208082e+02 -3.127955545100e+03 1.079554074042e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 5368709120 LenX= 5363044175 LenY= 5360223455 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. 0.8121 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 C C C C C C C C C C C H C C C H H H H H H H H H C H H H 13 13 13 13 13 13 13 13 13 13 13 1 13 13 13 1 1 1 1 1 1 1 1 1 13 1 1 1 -0.01147 0.01199 -0.02085 0.03235 -0.01461 0.01513 0.03755 -0.02013 0.03234 -0.02085 0.01199 -0.00097 -0.01147 0.01512 -0.01461 -0.00365 0.00070 -0.00097 0.00077 -0.00129 0.00844 0.00070 -0.00129 0.00077 0.22626 -0.01289 -0.01223 -0.01222 -12.89670 13.48413 -23.43528 36.36953 -16.42713 17.00618 42.21217 -22.62931 36.35674 -23.43878 13.48251 -4.34325 -12.89792 17.00145 -16.42637 -16.31704 3.12759 -4.34414 3.43464 -5.78281 37.70370 3.12922 -5.78236 3.43509 254.36295 -57.61433 -54.64782 -54.63954 -4.60186 4.81147 -8.36229 12.97755 -5.86161 6.06823 15.06235 -8.07470 12.97299 -8.36354 4.81089 -1.54978 -4.60230 6.06654 -5.86134 -5.82233 1.11600 -1.55010 1.22556 -2.06345 13.45362 1.11658 -2.06329 1.22572 90.76302 -20.55823 -19.49970 -19.49674 -4.30188 4.49782 -7.81717 12.13157 -5.47950 5.67265 14.08046 -7.54832 12.12730 -7.81834 4.49728 -1.44875 -4.30228 5.67107 -5.47925 -5.44278 1.04325 -1.44905 1.14567 -1.92894 12.57660 1.04379 -1.92879 1.14582 84.84635 -19.21807 -18.22855 -18.22579 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 0.025543 -0.031941 0.031510 -0.072342 0.029951 -0.038752 -0.125329 0.087613 -0.067872 0.028825 -0.030718 0.000749 0.025631 -0.044326 0.031157 -0.007992 0.001536 -0.002603 0.002904 0.006430 -0.001770 -0.001512 -0.002461 0.001232 -0.425314 -0.030883 -0.028474 0.064750 0.024055 -0.028345 0.027876 -0.061969 0.026364 -0.044222 -0.113288 0.081488 -0.066374 0.030609 -0.029598 0.000803 0.024020 -0.038708 0.025234 0.009071 -0.000325 0.004156 -0.003084 -0.006202 -0.009858 0.002729 0.002702 -0.001384 -0.372282 0.021006 0.038210 -0.055032 -0.049598 0.060286 -0.059386 0.134311 -0.056315 0.082974 0.238617 -0.169100 0.134246 -0.059434 0.060315 -0.001552 -0.049651 0.083034 -0.056390 -0.001080 -0.001211 -0.001553 0.000180 -0.000228 0.011628 -0.001216 -0.000241 0.000152 0.797596 0.009877 -0.009736 -0.009718 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 0.001456 -0.001832 0.000112 -0.004307 0.004640 -0.001701 -0.011082 0.005694 -0.006721 0.001637 -0.002528 -0.003989 0.001427 0.001381 0.004012 -0.015314 -0.001916 -0.002124 0.003386 0.000871 0.007267 -0.000215 0.005833 0.004342 -0.049028 -0.046565 0.049758 -0.002054 0.011514 -0.013673 0.010886 -0.018147 0.014706 -0.018065 -0.039911 0.028949 -0.034731 0.003040 -0.005936 0.000364 0.003864 -0.008244 0.000955 0.001457 0.000913 0.000191 0.003345 0.001482 -0.000178 -0.000462 -0.001977 -0.003151 -0.189793 0.015210 -0.008303 -0.004754 -0.010632 0.014145 -0.009270 0.049163 -0.008991 0.019118 0.066688 -0.048333 0.039332 -0.013860 0.018650 -0.000428 -0.015080 0.024805 -0.017033 -0.002530 0.000021 -0.000524 0.001756 0.001447 0.000264 -0.000780 -0.000568 -0.002058 0.318378 -0.026088 0.010295 0.012174 -0.1465 0.1382 0.9795 0.0969 0.9874 -0.1249 0.9845 -0.0767 0.158 -0.0528 0.0255 0.0273 -7.088 3.428 3.66 -2.529 1.223 1.306 -2.364 1.143 1.221 1 C 13 0.9863 -0.0627 0.1525 0.0845 0.9864 -0.1409 -0.1416 0.1519 0.9782 -0.0339 -0.0305 0.0645 -4.554 -4.096 8.65 -1.625 -1.462 3.087 -1.519 -1.366 2.885 2 C 13 -0.1156 0.1025 0.988 0.2358 0.9691 -0.0729 0.9649 -0.2245 0.1362 -0.0616 0.0286 0.033 -8.269 3.838 4.431 -2.951 1.369 1.581 -2.758 1.28 1.478 3 C 13 0.9954 0.0642 0.0716 -0.0458 0.9712 -0.2337 -0.0845 0.2293 0.9697 -0.0739 -0.0736 0.1475 -9.92 -9.876 19.796 -3.54 -3.524 7.064 -3.309 -3.294 6.603 4 C 13 -0.1662 0.1111 0.9798 -0.4103 0.8957 -0.1712 0.8967 0.4304 0.1033 -0.0598 0.026 0.0339 -8.029 3.483 4.545 -2.865 1.243 1.622 -2.678 1.162 1.516 5 C 13 -0.1565 0.9738 -0.1648 0.9775 0.1766 0.115 -0.1411 0.1431 0.9796 -0.0472 -0.0412 0.0884 -6.331 -5.527 11.858 -2.259 -1.972 4.231 -2.112 -1.844 3.955 6 C 13 0.862 0.5069 0.0016 -0.4954 0.843 -0.2099 -0.1078 0.1801 0.9777 -0.1319 -0.1234 0.2553 -17.702 -16.557 34.259 -6.317 -5.908 12.225 -5.905 -5.523 11.428 7 C 13 -0.109 0.1821 0.9772 -0.487 0.8473 -0.2122 0.8666 0.499 0.0037 -0.1813 0.0903 0.091 -24.334 12.12 12.213 -8.683 4.325 4.358 -8.117 4.043 4.074 8 C 13 0.5445 0.8361 -0.0671 0.823 -0.517 0.2354 -0.1621 0.1834 0.9696 -0.0739 -0.0736 0.1475 -9.918 -9.874 19.792 -3.539 -3.523 7.062 -3.308 -3.294 6.602 9 C 13 -0.0359 0.1491 0.9882 0.961 -0.2662 0.0751 0.2742 0.9523 -0.1337 -0.0616 0.0286 0.033 -8.271 3.839 4.432 -2.951 1.37 1.581 -2.759 1.281 1.478 10 C 13 0.4252 0.8926 -0.1498 0.9027 -0.4061 0.1424 -0.0662 0.1958 0.9784 -0.0339 -0.0305 0.0644 -4.554 -4.095 8.649 -1.625 -1.461 3.086 -1.519 -1.366 2.885 11 C 13 0.7079 0.7058 0.0267 -0.0808 0.0433 0.9958 -0.7017 0.7071 -0.0877 -0.0032 -0.0016 0.0048 -1.715 -0.854 2.569 -0.612 -0.305 0.917 -0.572 -0.285 0.857 12 H 1 -0.0518 0.1932 0.9798 0.9096 -0.3959 0.1261 0.4123 0.8977 -0.1553 -0.0528 0.0255 0.0273 -7.089 3.428 3.661 -2.53 1.223 1.306 -2.365 1.143 1.221 13 C 13 0.7744 -0.6107 0.1654 0.63 0.7686 -0.1117 -0.0589 0.1906 0.9799 -0.0472 -0.0412 0.0884 -6.331 -5.526 11.856 -2.259 -1.972 4.231 -2.112 -1.843 3.955 14 C 13 -0.019 0.1972 0.9802 -0.5823 0.7947 -0.1711 0.8127 0.574 -0.0997 -0.0598 0.026 0.0339 -8.029 3.484 4.545 -2.865 1.243 1.622 -2.678 1.162 1.516 15 C 13 0.8621 0.5067 0.0016 -0.0761 0.1263 0.9891 -0.501 0.8528 -0.1474 -0.017 -0.0015 0.0185 -9.065 -0.808 9.873 -3.235 -0.288 3.523 -3.024 -0.27 3.293 16 H 1 -0.4939 -0.5937 0.6352 0.2095 0.6278 0.7497 0.8439 -0.5033 0.1857 -0.0019 -9.0E-4 0.0029 -1.035 -0.501 1.536 -0.369 -0.179 0.548 -0.345 -0.167 0.512 17 H 1 0.9611 0.2752 -0.0238 -0.0012 0.0903 0.9959 -0.2763 0.9571 -0.0871 -0.0032 -0.0016 0.0048 -1.716 -0.854 2.57 -0.612 -0.305 0.917 -0.572 -0.285 0.857 18 H 1 -0.3831 0.9211 -0.07 -0.4904 -0.1386 0.8604 0.7828 0.3639 0.5047 -0.0046 -0.002 0.0066 -2.468 -1.072 3.54 -0.881 -0.382 1.263 -0.823 -0.358 1.181 19 H 1 -0.0411 0.9761 -0.2136 -0.2355 0.1983 0.9514 0.971 0.0894 0.2217 -0.0066 -3.0E-4 0.0068 -3.498 -0.156 3.654 -1.248 -0.056 1.304 -1.167 -0.052 1.219 20 H 1 -0.5068 0.862 -0.0123 0.862 0.5069 0.0022 -0.0082 0.0095 0.9999 -0.0141 0.0025 0.0116 -7.542 1.335 6.206 -2.691 0.476 2.215 -2.516 0.445 2.07 21 H 1 0.7583 0.1412 0.6364 -0.6512 0.1211 0.7492 -0.0287 0.9825 -0.1838 -0.0019 -9.0E-4 0.0029 -1.035 -0.502 1.537 -0.369 -0.179 0.548 -0.345 -0.167 0.513 22 H 1 0.8322 -0.5112 0.2146 -0.0613 0.2998 0.952 0.5511 0.8054 -0.2182 -0.0066 -3.0E-4 0.0068 -3.497 -0.156 3.653 -1.248 -0.056 1.304 -1.166 -0.052 1.219 23 H 1 -0.6181 0.7829 -0.0703 0.3569 0.3593 0.8623 0.7004 0.5079 -0.5015 -0.0046 -0.002 0.0066 -2.468 -1.072 3.541 -0.881 -0.383 1.263 -0.823 -0.358 1.181 24 H 1 0.8608 0.509 0.001 -0.4878 0.8254 -0.2842 -0.1455 0.2441 0.9588 -0.4545 -0.4529 0.9075 -60.994 -60.778 121.772 -21.764 -21.687 43.451 -20.346 -20.273 40.619 25 C 13 0.8619 0.507 0.0017 -0.2451 0.4138 0.8768 -0.4438 0.7561 -0.4809 -0.0582 -0.0067 0.0649 -31.076 -3.568 34.644 -11.089 -1.273 12.362 -10.366 -1.19 11.556 26 H 1 0.8504 -0.4655 0.2451 -0.2491 0.054 0.967 0.4634 0.8834 0.0701 -0.0581 -0.007 0.0651 -31.002 -3.747 34.749 -11.062 -1.337 12.399 -10.341 -1.25 11.591 27 H 1 PT112625.100S Sun Oct 5 09:22:46 2025 -10.54995 -10.54994 -10.54982 -10.54981 -10.54976 -10.54897 -10.54896 -10.54828 -10.54828 -10.54682 -0.99396 -0.95987 -0.90615 -0.88838 -0.85198 -0.83847 -0.80183 -0.77182 -0.73453 -0.70221 -0.68814 -0.67654 -0.62019 -0.60049 -0.58229 -0.53686 -0.53538 -0.52570 -0.51806 -0.49428 -0.49290 -0.48415 -0.48155 -0.47369 -0.47186 -0.45534 -0.44200 -0.43882 -0.40841 -0.39337 -0.38745 -0.38074 -0.37267 -0.31836 -0.30019 -0.28213 -0.21413 -0.03763 0.00250 0.00704 0.01698 0.01730 0.02315 0.02913 0.03284 0.03313 0.04700 0.05263 0.05302 0.06113 0.07083 0.07937 0.07966 0.08472 0.08729 0.08983 0.09743 0.11660 0.11736 0.12259 0.13013 0.13374 0.13739 0.14022 0.14216 0.15083 0.16165 0.16429 0.16653 0.16716 0.17024 0.17248 0.17636 0.18259 0.18334 0.18744 0.18887 0.19091 0.19560 0.19887 0.20047 0.20715 0.20777 0.21547 0.21663 0.21773 0.21866 0.22307 0.22385 0.23027 0.23337 0.23584 0.24433 0.24536 0.24652 0.25465 0.25485 0.25819 0.25958 0.26096 0.26226 0.26543 0.26843 0.27207 0.28063 0.28292 0.28763 0.29018 0.29189 0.29481 0.30277 0.30398 0.30609 0.30685 0.31012 0.31038 0.31379 0.31496 0.31899 0.32073 0.32089 0.32538 0.32829 0.33327 0.33589 0.34155 0.34559 0.34671 0.35058 0.35440 0.35718 0.35897 0.36048 0.36572 0.36706 0.37030 0.37448 0.37705 0.38045 0.38449 0.38685 0.39211 0.39485 0.39873 0.40013 0.40207 0.40877 0.41024 0.41418 0.41794 0.42138 0.42309 0.42525 0.42743 0.43292 0.43295 0.43825 0.43922 0.44309 0.44504 0.44963 0.45601 0.45846 0.46052 0.46285 0.46786 0.47336 0.47467 0.47880 0.48188 0.48870 0.49182 0.49410 0.49650 0.49966 0.50338 0.51116 0.51122 0.51425 0.51450 0.51774 0.52031 0.52250 0.52504 0.52608 0.53766 0.53793 0.54190 0.54214 0.54402 0.54624 0.55396 0.55421 0.55639 0.56093 0.56527 0.56905 0.56906 0.57337 0.57637 0.58142 0.58482 0.59218 0.59304 0.59591 0.59936 0.60002 0.61150 0.61420 0.61572 0.61899 0.62008 0.62412 0.63071 0.63438 0.63842 0.63945 0.64430 0.65547 0.66151 0.66402 0.66457 0.66552 0.67378 0.67876 0.68764 0.70179 0.70341 0.70496 0.71615 0.72240 0.72557 0.73714 0.73977 0.74694 0.74854 0.75373 0.75666 0.76621 0.76875 0.77126 0.77227 0.78011 0.78838 0.78845 0.79696 0.80168 0.80509 0.80726 0.81594 0.81703 0.81995 0.82183 0.82647 0.83090 0.83472 0.83504 0.84540 0.84829 0.85663 0.85858 0.86007 0.86728 0.87853 0.87985 0.88269 0.89215 0.89276 0.90382 0.90583 0.90911 0.91062 0.91658 0.91942 0.92509 0.93110 0.93725 0.94132 0.94668 0.94747 0.95742 0.95945 0.95960 0.96344 0.96447 0.97053 0.97334 0.97423 0.97944 0.98090 0.98540 0.99355 1.00180 1.00470 1.00797 1.01647 1.02157 1.02334 1.02496 1.03913 1.04521 1.05724 1.06505 1.06653 1.07085 1.08376 1.08786 1.09273 1.09389 1.10079 1.10670 1.11082 1.11152 1.12667 1.13413 1.13475 1.14158 1.14678 1.15302 1.15346 1.16220 1.16339 1.16484 1.17108 1.17823 1.18100 1.18235 1.18602 1.19080 1.19346 1.20490 1.20769 1.21152 1.21536 1.21803 1.23380 1.23451 1.24000 1.25045 1.25091 1.25810 1.26075 1.26388 1.26731 1.27695 1.28716 1.28911 1.29787 1.30511 1.31510 1.32015 1.33016 1.33256 1.34175 1.35193 1.35880 1.36269 1.37268 1.37408 1.37914 1.38263 1.38279 1.39702 1.40343 1.40800 1.41491 1.41930 1.43000 1.43152 1.44430 1.45522 1.45738 1.46886 1.47121 1.48117 1.48781 1.50078 1.51718 1.52099 1.52700 1.53367 1.55011 1.55351 1.55883 1.55953 1.58038 1.58780 1.59911 1.60261 1.60563 1.60852 1.62168 1.62526 1.64604 1.64647 1.66269 1.67512 1.67657 1.69089 1.69912 1.70110 1.71373 1.72642 1.74821 1.75024 1.75510 1.75746 1.77671 1.78019 1.78037 1.79395 1.80427 1.81270 1.81789 1.82349 1.84632 1.85651 1.86585 1.87534 1.88512 1.89650 1.89716 1.89946 1.91191 1.91295 1.92133 1.92237 1.93408 1.94118 1.94859 1.95125 1.95659 1.96166 1.96393 1.97207 1.97239 1.98300 1.98493 1.99103 1.99678 1.99719 2.00806 2.01491 2.02216 2.03297 2.04079 2.04631 2.04991 2.06020 2.06478 2.06962 2.08213 2.08709 2.09690 2.10071 2.10111 2.10838 2.11143 2.11751 2.12644 2.13088 2.13334 2.13578 2.13667 2.13974 2.14373 2.14814 2.15277 2.16455 2.16681 2.17532 2.18310 2.19242 2.19424 2.19500 2.20364 2.20371 2.21067 2.21650 2.22440 2.22537 2.22675 2.24053 2.24243 2.25394 2.25967 2.27070 2.27443 2.27562 2.27615 2.28795 2.29318 2.30361 2.30422 2.31074 2.32102 2.32415 2.32847 2.33281 2.33998 2.34173 2.34458 2.34467 2.35036 2.35798 2.36977 2.38521 2.38799 2.39029 2.39821 2.40636 2.41688 2.42397 2.43249 2.43453 2.44363 2.45327 2.45526 2.46390 2.47223 2.47684 2.48426 2.49235 2.49889 2.51664 2.52196 2.52292 2.53198 2.53253 2.55716 2.56116 2.56308 2.56908 2.57412 2.57855 2.58637 2.58858 2.59755 2.59870 2.59947 2.60889 2.61989 2.62001 2.62366 2.63208 2.63535 2.63671 2.63997 2.65362 2.65571 2.66373 2.66522 2.67281 2.67363 2.67893 2.69724 2.69747 2.70151 2.70482 2.71870 2.72281 2.72644 2.73208 2.73254 2.73630 2.74609 2.75029 2.75171 2.75440 2.75983 2.76644 2.77129 2.77628 2.77636 2.78011 2.79336 2.80177 2.80575 2.81211 2.81310 2.81822 2.81915 2.82429 2.82538 2.83588 2.83723 2.84365 2.84980 2.85126 2.85500 2.86179 2.87235 2.87784 2.87963 2.88386 2.88665 2.88671 2.89419 2.89708 2.91038 2.91090 2.92552 2.92840 2.93947 2.95036 2.95219 2.96140 2.96664 2.97741 2.99395 2.99543 3.00057 3.00726 3.01582 3.02305 3.04052 3.04402 3.06185 3.06333 3.07136 3.07154 3.07709 3.08399 3.10414 3.11099 3.11450 3.12475 3.13868 3.14439 3.15943 3.16147 3.18371 3.18408 3.20033 3.20415 3.21177 3.22490 3.23396 3.25553 3.25797 3.26617 3.27882 3.28979 3.29224 3.30788 3.31879 3.33551 3.34194 3.36116 3.37506 3.37878 3.38622 3.40025 3.40697 3.42051 3.42689 3.42845 3.42981 3.43614 3.45085 3.45576 3.46641 3.46724 3.48704 3.49038 3.49604 3.51202 3.51235 3.51701 3.53171 3.53562 3.53734 3.53936 3.55887 3.56548 3.57569 3.58340 3.59297 3.59531 3.60550 3.61998 3.63354 3.63636 3.64225 3.64486 3.66978 3.68563 3.69383 3.71047 3.71487 3.72204 3.73596 3.73610 3.75534 3.76161 3.78236 3.78613 3.82569 3.83213 3.84188 3.84451 3.85252 3.86432 3.87026 3.88956 3.89061 3.91734 3.92222 3.93259 3.98219 3.98909 4.01338 4.03693 4.04510 4.05997 4.06255 4.08114 4.08915 4.08957 4.10972 4.11708 4.16183 4.17329 4.18393 4.19278 4.21182 4.21251 4.23615 4.23793 4.25965 4.28982 4.29657 4.30904 4.31426 4.36172 4.38091 4.39673 4.40222 4.44790 4.47959 4.49402 4.52168 4.52968 4.54604 4.57044 4.57989 4.59751 4.63969 4.66490 4.67440 4.74856 4.76021 4.78193 4.81155 4.81475 4.82448 4.86166 4.86512 4.87190 4.88715 4.90521 4.91650 4.93245 4.95660 4.96200 4.98900 5.00230 5.00671 5.02278 5.03970 5.04470 5.04952 5.06067 5.06340 5.06588 5.07340 5.09632 5.10621 5.12133 5.12431 5.13092 5.13764 5.14380 5.15372 5.16053 5.16819 5.17717 5.18131 5.18810 5.19229 5.19364 5.21084 5.21262 5.21784 5.23299 5.24085 5.24807 5.24856 5.26828 5.27674 5.28257 5.29420 5.29609 5.30522 5.31959 5.32959 5.33434 5.34229 5.34833 5.35632 5.37696 5.38917 5.39536 5.42113 5.42338 5.43717 5.43918 5.45240 5.46125 5.47244 5.47446 5.48289 5.49164 5.49488 5.49661 5.52322 5.52508 5.53258 5.53540 5.55400 5.55461 5.56501 5.56743 5.57210 5.58352 5.60073 5.60251 5.60862 5.62671 5.63330 5.64272 5.65305 5.66750 5.67825 5.69106 5.71301 5.72395 5.72795 5.73156 5.74571 5.76644 5.76658 5.77998 5.78649 5.79510 5.79944 5.80360 5.80785 5.81669 5.82636 5.82975 5.83095 5.83405 5.84277 5.85379 5.86248 5.86821 5.87550 5.87925 5.88534 5.89441 5.89618 5.91227 5.91353 5.91515 5.92468 5.92482 5.94169 5.94468 5.95624 5.95760 5.96356 5.98534 5.98943 5.99725 6.00319 6.01278 6.01751 6.01905 6.02519 6.03566 6.03832 6.04250 6.04497 6.05287 6.06379 6.06692 6.07452 6.08175 6.08373 6.09514 6.09710 6.10125 6.10582 6.12324 6.12924 6.13568 6.14606 6.14707 6.14965 6.15045 6.15757 6.16713 6.18270 6.18704 6.19458 6.21064 6.21067 6.21531 6.21988 6.22584 6.22762 6.23145 6.23912 6.24078 6.25116 6.26164 6.26656 6.27987 6.28754 6.28919 6.29512 6.29729 6.30290 6.30782 6.30978 6.32037 6.32306 6.32339 6.32753 6.33306 6.34764 6.36501 6.37464 6.38272 6.39170 6.39313 6.39395 6.39755 6.40745 6.42842 6.43572 6.44224 6.45335 6.45787 6.47753 6.47792 6.48418 6.48533 6.50006 6.50206 6.51017 6.51134 6.52155 6.52564 6.53541 6.53816 6.54145 6.55193 6.55926 6.56062 6.56742 6.57125 6.58368 6.58377 6.59556 6.59639 6.59981 6.61806 6.61834 6.62633 6.62709 6.63494 6.63513 6.64851 6.65831 6.66199 6.67089 6.67581 6.68140 6.68734 6.69292 6.70407 6.70797 6.72156 6.72177 6.72721 6.73958 6.74367 6.75013 6.75790 6.77449 6.78926 6.79314 6.79645 6.80378 6.81832 6.82342 6.82629 6.84153 6.85779 6.86645 6.86806 6.89206 6.89488 6.90450 6.90519 6.91826 6.92963 6.94350 6.94815 6.96335 6.97945 6.98351 6.99337 7.00558 7.01331 7.04585 7.04801 7.05915 7.06786 7.08210 7.08444 7.10481 7.11268 7.15182 7.15332 7.17152 7.18658 7.20492 7.20650 7.21946 7.23028 7.25291 7.25680 7.26511 7.28292 7.28625 7.30139 7.30143 7.30808 7.30981 7.31509 7.33092 7.35060 7.35622 7.36207 7.37836 7.38426 7.38530 7.38985 7.40558 7.40973 7.42176 7.43402 7.43421 7.44379 7.45279 7.46718 7.47155 7.47182 7.48744 7.49729 7.50831 7.54051 7.55768 7.56987 7.57481 7.57779 7.58239 7.58439 7.58912 7.58914 7.59469 7.60373 7.61023 7.62360 7.64104 7.64324 7.65463 7.65912 7.68548 7.68964 7.71944 7.72320 7.72617 7.73467 7.75582 7.77122 7.77265 7.77465 7.78146 7.78675 7.79580 7.80125 7.80228 7.82470 7.85185 7.87263 7.88440 7.89188 7.90215 7.92956 7.93175 7.94619 7.95102 7.96124 7.96235 7.96280 7.97328 7.97624 7.98763 7.99179 8.01056 8.01357 8.01650 8.02134 8.03751 8.04682 8.04909 8.05289 8.05572 8.07387 8.08220 8.09015 8.09604 8.10736 8.11601 8.12235 8.12641 8.13385 8.14201 8.15178 8.15543 8.16160 8.16452 8.16828 8.18014 8.19414 8.19652 8.19872 8.20839 8.21289 8.22509 8.22783 8.23688 8.23929 8.24406 8.26341 8.26656 8.27428 8.28426 8.28581 8.29631 8.30583 8.31476 8.31482 8.32801 8.33551 8.34426 8.36376 8.37097 8.37417 8.39198 8.39292 8.39789 8.40467 8.41251 8.43796 8.43995 8.44089 8.44843 8.47888 8.49501 8.50298 8.51936 8.52951 8.55081 8.55106 8.55968 8.56897 8.57785 8.58421 8.58732 8.59443 8.62047 8.63217 8.64712 8.66271 8.66759 8.68034 8.71294 8.72321 8.74241 8.74309 8.76047 8.76510 8.77274 8.79150 8.79914 8.80488 8.84465 8.84999 8.89165 8.93277 9.00762 9.01329 9.07989 9.09932 9.09994 9.11101 9.19096 9.19186 9.22089 9.24306 9.26639 9.29270 9.39300 9.40375 9.43529 9.46119 9.46880 9.50113 9.50305 9.50440 9.55428 9.56157 9.57113 9.57892 9.57938 9.59151 9.66564 9.67228 9.67367 9.69320 9.72371 9.72717 9.73851 9.74626 9.74894 9.74988 9.77071 9.78253 9.78911 9.81525 9.84688 9.86302 9.87093 9.89486 9.91418 9.94388 9.97413 9.98549 9.98597 9.98788 10.06246 10.06499 10.10325 10.16687 10.19059 10.20984 10.22739 10.24410 10.26210 10.28613 10.30956 10.36718 10.38068 10.41279 10.47805 10.48758 10.49626 10.53065 10.54226 10.58422 10.60017 10.66168 10.89399 11.33187 11.39374 11.73682 11.83647 12.13969 12.15041 12.54056 12.55195 12.57823 12.75413 12.77544 12.86371 13.04466 13.04551 13.10787 28.19390 28.28939 28.45991 28.56097 28.57376 28.58286 28.61582 28.77080 28.81426 28.86736 29.03780 29.12118 29.13957 29.34223 29.44306 145.72210 145.82621 145.99921 146.06846 146.07088 146.11069 146.12355 146.26748 146.30775 146.34793 146.50183 146.58958 146.61507 146.82896 146.94235 -10.56514 -10.55918 -10.55917 -10.55746 -10.55743 -10.55010 -10.55009 -10.54964 -10.54964 -10.54881 -10.54881 -10.54828 -10.54828 -10.54820 -10.54035 -0.99276 -0.95911 -0.90532 -0.88687 -0.85157 -0.83739 -0.79946 -0.74106 -0.73086 -0.70142 -0.68644 -0.67605 -0.61946 -0.59972 -0.58146 -0.53637 -0.53470 -0.52452 -0.51723 -0.49327 -0.48750 -0.47875 -0.47547 -0.46922 -0.46479 -0.45425 -0.44155 -0.43591 -0.40790 -0.39287 -0.38668 -0.37311 -0.36349 -0.31704 -0.29447 -0.25313 -0.06156 -0.00704 0.00584 0.00783 0.01708 0.01760 0.02465 0.03008 0.03309 0.03327 0.04636 0.05308 0.05327 0.07027 0.07147 0.07917 0.07969 0.08292 0.08905 0.09297 0.09679 0.11706 0.11795 0.12224 0.12833 0.13334 0.13549 0.13976 0.14309 0.14650 0.16086 0.16333 0.16528 0.16741 0.16841 0.17246 0.17548 0.18052 0.18252 0.18696 0.18866 0.19118 0.19456 0.19737 0.19858 0.20437 0.20752 0.21181 0.21551 0.21567 0.21775 0.22222 0.22307 0.22982 0.23155 0.23262 0.24095 0.24397 0.24448 0.25212 0.25286 0.25319 0.25650 0.26033 0.26259 0.26438 0.26789 0.27084 0.27940 0.28117 0.28576 0.29021 0.29136 0.29237 0.30118 0.30183 0.30495 0.30549 0.31026 0.31145 0.31346 0.31586 0.31798 0.32009 0.32189 0.32308 0.32687 0.33258 0.33541 0.34167 0.34262 0.34608 0.34896 0.35513 0.35701 0.36038 0.36141 0.36507 0.36528 0.37047 0.37241 0.37657 0.38003 0.38247 0.38487 0.38941 0.39470 0.39620 0.40003 0.40262 0.40414 0.40789 0.40957 0.41613 0.42100 0.42176 0.42420 0.42722 0.43232 0.43363 0.43698 0.43761 0.44258 0.44455 0.44966 0.45531 0.45674 0.45798 0.46135 0.46718 0.47237 0.47429 0.47902 0.48148 0.48733 0.49128 0.49428 0.49609 0.49926 0.50405 0.50978 0.51059 0.51349 0.51378 0.51740 0.51974 0.52098 0.52458 0.52645 0.53687 0.53744 0.53986 0.54225 0.54366 0.54528 0.55264 0.55492 0.55566 0.56081 0.56377 0.56898 0.57045 0.57220 0.57522 0.58089 0.58459 0.59018 0.59204 0.59497 0.59926 0.59991 0.61028 0.61453 0.61617 0.61938 0.61945 0.62498 0.63042 0.63399 0.63535 0.63985 0.64324 0.65527 0.65896 0.66239 0.66293 0.66502 0.67333 0.67538 0.68705 0.69958 0.70204 0.70288 0.71574 0.72091 0.72571 0.73640 0.73712 0.74558 0.74698 0.75274 0.75697 0.76397 0.76730 0.77061 0.77215 0.77967 0.78723 0.78724 0.79620 0.80041 0.80564 0.80586 0.81474 0.81540 0.81849 0.82106 0.82467 0.83004 0.83357 0.83372 0.84398 0.84819 0.85448 0.85621 0.85910 0.86637 0.87304 0.87818 0.88160 0.89054 0.89338 0.90186 0.90501 0.90629 0.90706 0.91648 0.91684 0.92451 0.93003 0.93370 0.93557 0.94482 0.94592 0.95165 0.95569 0.95881 0.96146 0.96435 0.97081 0.97312 0.97370 0.97889 0.97893 0.98399 0.99405 1.00042 1.00570 1.00720 1.01581 1.02130 1.02300 1.02420 1.03848 1.04445 1.05641 1.06247 1.06461 1.07039 1.08286 1.08750 1.09125 1.09439 1.09958 1.10622 1.11065 1.11115 1.12564 1.13355 1.13398 1.14004 1.14440 1.14935 1.15380 1.16092 1.16119 1.16456 1.17019 1.17636 1.17866 1.18216 1.18465 1.19092 1.19677 1.20389 1.20669 1.21009 1.21461 1.21737 1.23311 1.23381 1.23884 1.24950 1.24970 1.25645 1.25810 1.26376 1.26642 1.27769 1.28661 1.28806 1.29777 1.30270 1.31611 1.32012 1.32451 1.32941 1.34113 1.35037 1.35616 1.36222 1.37170 1.37310 1.37719 1.38181 1.38242 1.39673 1.40207 1.40690 1.40851 1.41355 1.42577 1.42816 1.44665 1.45300 1.45601 1.46738 1.46830 1.48044 1.48635 1.49999 1.51589 1.52039 1.52616 1.53350 1.54810 1.55006 1.55847 1.55944 1.58400 1.58725 1.59907 1.60056 1.60554 1.60818 1.62073 1.62468 1.64323 1.64600 1.66167 1.67492 1.67622 1.69248 1.69856 1.70174 1.71163 1.72643 1.74876 1.75007 1.75501 1.75760 1.77738 1.78067 1.78084 1.79425 1.80474 1.81288 1.81801 1.82376 1.84668 1.85651 1.86690 1.87756 1.88552 1.89687 1.89773 1.90038 1.91186 1.91386 1.92159 1.92354 1.93551 1.94194 1.94941 1.95134 1.95882 1.96320 1.96493 1.97252 1.97284 1.98347 1.98561 1.99214 1.99718 1.99753 2.00929 2.01542 2.02416 2.03460 2.04150 2.04635 2.05061 2.06325 2.06785 2.07055 2.08369 2.08952 2.09790 2.10193 2.10524 2.10959 2.11243 2.11817 2.12839 2.13039 2.13362 2.13752 2.13820 2.14169 2.14433 2.14959 2.15258 2.16499 2.16750 2.17690 2.18385 2.19195 2.19573 2.19751 2.20332 2.20563 2.21180 2.21394 2.22500 2.22701 2.22937 2.24093 2.24221 2.25561 2.25963 2.27110 2.27436 2.27558 2.27724 2.28793 2.29290 2.30367 2.30452 2.31114 2.32131 2.32550 2.32905 2.33297 2.34009 2.34078 2.34243 2.34491 2.35053 2.35916 2.36927 2.38562 2.38836 2.39231 2.40057 2.40610 2.41807 2.42876 2.43271 2.43630 2.44361 2.45283 2.45628 2.46414 2.47315 2.47775 2.48462 2.49120 2.49909 2.51695 2.52069 2.52499 2.53302 2.53452 2.55737 2.56296 2.56403 2.56925 2.57488 2.57787 2.58700 2.59000 2.59676 2.59889 2.60017 2.61021 2.61925 2.62043 2.62353 2.63251 2.63413 2.63789 2.64143 2.65427 2.65619 2.66320 2.66667 2.67339 2.67453 2.67887 2.69751 2.69902 2.70323 2.70495 2.71818 2.72336 2.72777 2.73314 2.73320 2.73672 2.74550 2.75076 2.75140 2.75430 2.76003 2.76513 2.77068 2.77677 2.77845 2.78368 2.79248 2.80262 2.80459 2.81205 2.81281 2.81858 2.81881 2.82462 2.82689 2.83690 2.83892 2.84491 2.84967 2.85236 2.85468 2.86494 2.87248 2.87836 2.88093 2.88518 2.88622 2.88896 2.89425 2.89805 2.91078 2.91147 2.92625 2.92818 2.93922 2.95114 2.95498 2.96226 2.96769 2.97964 2.99461 2.99788 3.00155 3.00839 3.01670 3.02413 3.04108 3.04615 3.06279 3.06402 3.07233 3.07274 3.07699 3.08444 3.10519 3.11302 3.11496 3.12476 3.14038 3.14633 3.16065 3.16271 3.18456 3.18474 3.20284 3.20494 3.21170 3.22530 3.23605 3.25640 3.26037 3.26780 3.28060 3.29116 3.29263 3.31126 3.32054 3.33729 3.34294 3.36254 3.37685 3.37960 3.38709 3.40086 3.40903 3.42150 3.42900 3.42927 3.43173 3.43695 3.45419 3.45859 3.46907 3.47103 3.48940 3.49191 3.49883 3.51263 3.51400 3.52083 3.53498 3.53729 3.54129 3.54416 3.56061 3.56647 3.58162 3.58666 3.59629 3.60011 3.60734 3.62289 3.63588 3.63961 3.64351 3.64890 3.67103 3.68770 3.69566 3.71290 3.71808 3.72429 3.73722 3.74133 3.75619 3.77110 3.78430 3.78820 3.82751 3.83295 3.84346 3.84598 3.85595 3.87532 3.88288 3.89167 3.89723 3.92114 3.92196 3.94099 3.98446 3.99527 4.01761 4.04215 4.04509 4.06203 4.06530 4.08286 4.09050 4.09121 4.11439 4.12003 4.16292 4.17355 4.18534 4.19478 4.21282 4.21534 4.23894 4.23993 4.27468 4.29285 4.30349 4.31509 4.31794 4.36528 4.38197 4.39916 4.40447 4.45043 4.48162 4.49513 4.52206 4.53252 4.54739 4.57211 4.58167 4.59899 4.64216 4.66641 4.67606 4.75019 4.76317 4.78538 4.81472 4.81690 4.82912 4.86599 4.86993 4.87404 4.89117 4.91011 4.91865 4.93653 4.95941 4.96313 4.99122 5.00672 5.01434 5.02939 5.04746 5.04951 5.05217 5.06567 5.06873 5.06896 5.07622 5.09947 5.11426 5.12768 5.12978 5.13782 5.14015 5.15084 5.15789 5.17247 5.18084 5.18709 5.18748 5.19664 5.20163 5.20483 5.21660 5.22053 5.23159 5.23911 5.24556 5.25661 5.26266 5.27235 5.28442 5.28957 5.30112 5.31371 5.32007 5.33785 5.33911 5.34535 5.35279 5.36218 5.37573 5.39365 5.40077 5.40416 5.42811 5.43416 5.44465 5.45458 5.45654 5.46513 5.48074 5.48406 5.48977 5.49549 5.49941 5.50689 5.52816 5.53591 5.53899 5.54259 5.55630 5.55808 5.57389 5.58022 5.58052 5.59686 5.60389 5.61558 5.63190 5.63414 5.63964 5.65868 5.66226 5.68431 5.68962 5.69837 5.71507 5.72718 5.73696 5.74725 5.75316 5.77232 5.77688 5.79286 5.79343 5.80572 5.81667 5.81758 5.82530 5.82761 5.83006 5.84165 5.84225 5.84635 5.85968 5.86874 5.87587 5.88075 5.88207 5.88967 5.89853 5.89916 5.90616 5.91424 5.91875 5.92374 5.93042 5.93093 5.95080 5.95822 5.96493 5.97116 5.98004 5.99327 5.99445 6.00509 6.00606 6.02372 6.02452 6.02873 6.03063 6.04214 6.04491 6.05100 6.05567 6.06576 6.07057 6.07160 6.07933 6.08804 6.08835 6.10791 6.10810 6.11162 6.11266 6.12837 6.13615 6.14593 6.15128 6.15312 6.15718 6.16434 6.16828 6.17550 6.19200 6.19348 6.20176 6.21454 6.21508 6.22150 6.22845 6.23088 6.23930 6.23947 6.24201 6.25678 6.27256 6.27879 6.28753 6.29212 6.29546 6.29703 6.30602 6.30626 6.31389 6.31484 6.32155 6.32599 6.32860 6.34069 6.34549 6.35771 6.36545 6.37284 6.38501 6.38545 6.39717 6.39922 6.40094 6.40697 6.41416 6.43574 6.44689 6.44731 6.45741 6.46501 6.48492 6.48498 6.49091 6.49157 6.50046 6.50468 6.51620 6.51675 6.52724 6.52775 6.54352 6.54354 6.54757 6.55596 6.56109 6.56602 6.57724 6.57867 6.58721 6.59814 6.60943 6.61443 6.61512 6.62393 6.63104 6.63692 6.64194 6.64218 6.64889 6.65371 6.66813 6.67700 6.68165 6.68458 6.68942 6.69867 6.71399 6.71619 6.72343 6.72560 6.73056 6.74165 6.75390 6.76452 6.77562 6.78744 6.79409 6.80049 6.80778 6.80927 6.81847 6.83273 6.83820 6.85183 6.86571 6.86625 6.87773 6.87859 6.90271 6.90629 6.91284 6.92013 6.93656 6.93934 6.95276 6.95404 6.96864 6.98535 6.99368 6.99756 7.01024 7.01779 7.05127 7.06110 7.06171 7.07143 7.08505 7.09420 7.10911 7.12875 7.15657 7.15740 7.17512 7.20626 7.20959 7.21770 7.22139 7.23413 7.25932 7.25937 7.28126 7.29423 7.30108 7.30523 7.30771 7.31236 7.31509 7.32010 7.33252 7.36000 7.36155 7.37008 7.38095 7.38602 7.38695 7.39559 7.40904 7.41776 7.42661 7.43572 7.44252 7.44861 7.45464 7.46982 7.48356 7.48657 7.49075 7.50594 7.52828 7.54856 7.56567 7.57412 7.57889 7.58180 7.58588 7.58839 7.59190 7.59771 7.61154 7.62022 7.62183 7.63345 7.64533 7.65018 7.66377 7.66816 7.69228 7.70207 7.72089 7.72271 7.73430 7.74002 7.75862 7.77216 7.77682 7.77888 7.78523 7.79032 7.79772 7.80354 7.80428 7.82547 7.85484 7.87378 7.88779 7.89516 7.90261 7.93022 7.93452 7.95262 7.95943 7.96539 7.96912 7.97003 7.98249 7.98370 7.99064 7.99328 8.01328 8.01689 8.02328 8.02451 8.04471 8.04953 8.05104 8.05859 8.06576 8.07700 8.08959 8.09367 8.11006 8.11663 8.11843 8.12921 8.13057 8.13876 8.14699 8.15670 8.16481 8.16772 8.17318 8.18384 8.19404 8.19911 8.20753 8.22478 8.22483 8.22808 8.23809 8.23847 8.23898 8.25367 8.26759 8.26811 8.27755 8.27866 8.30126 8.30298 8.30750 8.31162 8.31761 8.33671 8.33929 8.34831 8.35275 8.36834 8.37272 8.37862 8.39484 8.39545 8.40595 8.40752 8.42117 8.44226 8.44326 8.45655 8.48356 8.48636 8.49713 8.51423 8.52574 8.53639 8.55265 8.55315 8.56435 8.57829 8.58504 8.59615 8.59972 8.60935 8.63249 8.63625 8.64995 8.66670 8.67326 8.68272 8.71522 8.72555 8.74576 8.76627 8.76653 8.77487 8.78334 8.79684 8.80021 8.80516 8.84614 8.85442 8.89009 8.93680 9.00885 9.02379 9.10080 9.10714 9.11023 9.13173 9.19042 9.19626 9.22370 9.24672 9.26720 9.29479 9.39431 9.40513 9.43884 9.48983 9.49672 9.50410 9.50549 9.50716 9.55498 9.56360 9.57586 9.58117 9.58335 9.59378 9.70736 9.72100 9.72463 9.73318 9.74726 9.74831 9.75040 9.75322 9.75899 9.76989 9.77644 9.78589 9.78941 9.81741 9.85424 9.86933 9.87350 9.90606 9.92007 9.98049 9.98675 9.98879 9.99003 10.03695 10.06451 10.07109 10.10466 10.16966 10.19647 10.21019 10.23399 10.25298 10.28967 10.31042 10.32377 10.38199 10.38296 10.41627 10.49171 10.53392 10.54503 10.55385 10.57089 10.58625 10.60235 10.66362 10.90006 11.33441 11.39648 11.86880 11.97021 12.14487 12.15479 12.54585 12.55566 12.61301 12.75455 12.78229 12.82857 13.04726 13.04812 13.29657 28.19975 28.29314 28.46964 28.55456 28.58221 28.60108 28.62140 28.82439 28.86574 28.93079 29.04001 29.11475 29.15327 29.34575 29.44826 145.72317 145.82694 146.00143 146.06701 146.07131 146.11423 146.12680 146.27020 146.32654 146.35764 146.50232 146.58824 146.61760 146.82973 146.94342 -0.2299 0.3905 0.1129 0.4670 -75.5856 -77.7246 -96.5039 -2.9015 1.0356 -2.8615 7.6858 5.5468 -13.2326 -2.9015 1.0356 -2.8615 1552.5109 -277.4928 -14.5363 520.9805 -71.7112 -26.6361 646.7467 -113.0270 -12.6139 19.5651 -23315.7965 -2054.8311 -364.1909 1300.4627 405.1057 1428.3916 -94.1070 118.2015 -57.5348 -4219.1027 -4876.4898 -473.0627 -162.8651 85.5384 576.4828 GINC-NODE009 QSB14101 2025-10-05T00:00:00.000 0 sp qz 0 2 Version=ES64L-G16RevC.01 HF=-579.3606957 S2=0.812137 S2-1=0. S2A=0.751522 RMSD=3.616e-09 Dipole=-0.0904662,0.1536481,0.0444113 Quadrupole=5.7142047,4.1238957,-9.8381004,-2.1571638,0.7699068,-2.1274181 PG=C01 [X(C15H13)] 0 -9.3916033146 -1.4567751684 -0.0694840709 0 -8.0393963982 -1.4345559227 0.117436148 0 -7.307567038 -0.2104752555 0.0343298569 0 -8.0234430399 0.9959451876 -0.2409538091 0 -9.4309454479 0.9355521347 -0.4278344358 0 -10.0994786445 -0.2550643894 -0.3493752692 0 -5.9159525862 -0.1665139244 0.1953497569 0 -7.3210415761 2.2256013227 -0.2631283964 0 -5.9051119156 2.2411693012 -0.236623132 0 -5.2001337543 1.0282900174 0.0384050407 0 -3.7748462702 1.0720906993 0.1252460556 0 -3.2407585213 0.1517455702 0.3361688629 0 -3.097148701 2.2430454223 -0.0577015977 0 -3.8019428245 3.4467390625 -0.336829756 0 -5.1671942591 3.4419812283 -0.4188903595 0 -5.3766643129 -1.0846514937 0.406390882 0 -9.9342056296 -2.3925921754 -0.0065278992 0 -7.4956688265 -2.349134178 0.3288599152 0 -9.9673703839 1.8564202563 -0.6330217673 0 -11.172064796 -0.2891848036 -0.4983167505 0 -7.8451146513 3.118250862 -0.5891063769 0 -2.0157212149 2.2617114946 0.0077161711 0 -3.2499949628 4.3676225078 -0.4821729048 0 -5.710308967 4.3590314698 -0.623586691 0 -7.7050869792 2.8703477335 1.9396761631 0 -7.2086209179 2.0248844481 2.397903808 0 -7.1889186025 3.8212931069 1.9517057517 0 -8.7870704641 2.8809954858 1.9485488041