Gaussian 16 22-Aug-2023 Gaussian 16 3-Jul-2019 ES64L-G16RevC.01 69 69 (5D, 7F) def2TZVP UMN15 def2TZVP SP #pgfinput gfprint scf(maxcyc=500,XQC) nosymm mn15/def2tzvp guess=read geom=checkpoint sp scrf(smd,solvent=benzene,nonequilibrium=write) integral(grid=superfine) 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 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 0 538.1670219999996 AuxInfo=1/0/N:49,60,47,51,58,62,38,40,45,53,56,64,36,42,44,55,4,2;11,22,9,13,20,24,30,32,7,15,18,26,28,34,6,17,5,3;66;1/E:2*(1,2)(3,4,5,6)(7,8)(9,10,11,12)(13,14)(15,16);;/CRV:2*1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3;1.3;/rA:69FePPCCC3C3HC3HC3HC3HC3HC3C3HC3HC3HC3HC3HCHCHCHCHCHCHCHCHC3C3HC3HC3HC3HC3HC3C3HC3HC3HC3HC3HC3HHH/rB:;;s1s2;s1s3;s3;s6;s7;s7;s9;s9;s11;s11;s13;s6s13;s15;s3;s17;s18;s18;s20;s20;s22;s22;s24;s17s24;s26;s1s5;s28;s1s28;s30;s1s30;s32;s1s5s32;s34;s1s4;s36;s1s36;s38;s1s38;s40;s1s4s40;s42;s2;s44;s45;s45;s47;s47;s49;s49;s51;s44s51;s53;s2;s55;s56;s56;s58;s58;s60;s60;s62;s55s62;s64;;s66;s66;s66;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g16 Output=dppf-Me_rad_sCP_14ts_tzvp-sf.log nprocshared=24 mem=90GB oldchk=dppf-Me_rad_sCP_14ts chk=dppf-Me_rad_sCP_14ts_tzvp-sf #p gfinput gfprint scf(maxcyc=500,XQC) nosymm mn15/def2tzvp guess=read 1/29=2,38=1,172=1/1 2/12=2,15=1,40=1/2 3/5=44,7=101,11=2,14=-4,24=110,25=1,30=1,70=5032201,72=12,74=-73,75=-7,116=-2/1,2,3 4/5=1/1 5/5=2,7=500,8=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 dppf-Me radical formn TS 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 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 56 31 31 12 12 12 12 1 12 1 12 1 12 1 12 1 12 12 1 12 1 12 1 12 1 12 1 12 1 12 1 12 1 12 1 12 1 12 1 12 1 12 1 12 12 1 12 1 12 1 12 1 12 1 12 12 1 12 1 12 1 12 1 12 1 12 1 1 1 55.9349393 30.9737634 30.9737634 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 0 1 1 0 0 0 0 1 0 1 0 1 0 1 0 1 0 0 1 0 1 0 1 0 1 0 1 0 1 0 1 0 1 0 1 0 1 0 1 0 1 0 1 0 0 1 0 1 0 1 0 1 0 1 0 0 1 0 1 0 1 0 1 0 1 0 1 1 1 25.2200000 12.9400000 12.9400000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 (Enter /opt/g16/l101.exe) 0.10000e-02 0.10000e-05 F 69 1.00e+00 60 T IExCor= 7252 DFT=T Ex+Corr=MN15 ExCW=0 ScaHFX= 0.440000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 7 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi= 4 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. PCM SMD-Coulomb. Total charges None On-the-fly selection Benzene 2.270600 2.253301 0.1624973 0.0671075 0.0589784 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 7 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 1523 1509 1510 1510 1523 MxSgAt= 69 MxSgA2= 69. 1 open 1 1 1 -3296.52600338335 -3296.77346112484 -0.247457741490 -3297.44116706624 -0.667705941401 -3297.42002332932 0.021143736918 -3297.51038897027 -0.090365640954 -3297.51495301892 -0.004564048650 -3297.51507001113 -0.000116992209 -3297.51511037353 -0.000040362402 -3297.51511310919 -0.000002735655 -3297.51511376834 -0.000000659152 -3297.51511394166 -0.000000173318 -3297.51511399866 -0.000000057003 -3297.51511402836 -0.000000029696 -3297.51511405308 -0.000000024718 -3297.51511406690 -0.000000013821 -3297.51511408210 -0.000000015207 -3297.51511409758 -0.000000015478 -3297.51511410442 -0.000000006844 -3297.51511410539 -0.000000000968 -3297.51511410574 -0.000000000347 -3297.51511410603 -0.000000000289 -3297.51511410612 -0.000000000089 -3297.51511411 22 0.7586 3.278926096531e+03 -1.833609615308e+04 6.471243486483e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 12079595520 LenX= 12074539474 LenY= 12072035168 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. 0.7586 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 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 Fe P P C C C C H C H C H C H C H C C H C H C H C H C H C H C H C H C H C H C H C H C H C C H C H C H C H C H C C H C H C H C H C H C H H H 57 31 31 13 13 13 13 1 13 1 13 1 13 1 13 1 13 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 13 1 13 1 13 1 13 1 13 1 13 13 1 13 1 13 1 13 1 13 1 13 1 1 1 -0.00095 0.00005 0.46737 0.00003 -0.00544 0.05616 0.00875 0.00078 0.00543 0.00039 0.00057 -0.00005 -0.00007 0.00013 0.00247 -0.00022 -0.00616 0.00155 0.00004 0.00033 -0.00008 -0.00029 0.00012 0.00059 -0.00009 0.00213 0.00011 -0.00121 0.00001 -0.00035 -0.00008 0.00060 -0.00007 -0.00002 0.00022 0.00032 0.00001 0.00144 -0.00008 0.00002 0.00000 0.00007 0.00005 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 0.15696 -0.01366 -0.01116 -0.01339 -0.13749 0.08391 846.45113 0.03350 -6.12059 63.13636 9.83380 3.47799 6.10463 1.75380 0.64499 -0.20787 -0.08383 0.56541 2.77537 -0.97525 -6.92292 1.74572 0.19805 0.37378 -0.36710 -0.33046 0.52213 0.66690 -0.41966 2.39620 0.48481 -1.35669 0.02382 -0.38822 -0.36570 0.67306 -0.29345 -0.01692 0.97215 0.36508 0.02481 1.62280 -0.33936 0.02027 0.00934 0.07617 0.20760 0.00953 -0.00148 0.00136 -0.00017 0.00024 0.00010 0.00005 -0.00003 0.00030 -0.00087 0.00002 -0.01361 -0.00157 -0.00066 0.00217 -0.00054 0.00186 0.00005 -0.00181 0.00101 0.00754 0.00016 176.44931 -61.07310 -49.89940 -59.86323 -0.04906 0.02994 302.03481 0.01196 -2.18398 22.52862 3.50894 1.24103 2.17828 0.62580 0.23015 -0.07417 -0.02991 0.20175 0.99032 -0.34799 -2.47027 0.62292 0.07067 0.13337 -0.13099 -0.11791 0.18631 0.23797 -0.14975 0.85503 0.17299 -0.48410 0.00850 -0.13853 -0.13049 0.24016 -0.10471 -0.00604 0.34689 0.13027 0.00885 0.57906 -0.12109 0.00723 0.00333 0.02718 0.07408 0.00340 -0.00053 0.00048 -0.00006 0.00009 0.00004 0.00002 -0.00001 0.00011 -0.00031 0.00001 -0.00485 -0.00056 -0.00024 0.00077 -0.00019 0.00066 0.00002 -0.00065 0.00036 0.00269 0.00006 62.96150 -21.79240 -17.80535 -21.36069 -0.04586 0.02799 282.34571 0.01118 -2.04161 21.06002 3.28020 1.16013 2.03628 0.58500 0.21515 -0.06934 -0.02796 0.18860 0.92576 -0.32531 -2.30924 0.58231 0.06606 0.12468 -0.12245 -0.11023 0.17417 0.22246 -0.13999 0.79929 0.16172 -0.45254 0.00795 -0.12950 -0.12198 0.22451 -0.09788 -0.00564 0.32427 0.12178 0.00827 0.54131 -0.11320 0.00676 0.00311 0.02541 0.06925 0.00318 -0.00049 0.00045 -0.00006 0.00008 0.00003 0.00002 -0.00001 0.00010 -0.00029 0.00001 -0.00454 -0.00052 -0.00022 0.00072 -0.00018 0.00062 0.00002 -0.00060 0.00034 0.00251 0.00005 58.85715 -20.37179 -16.64465 -19.96822 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 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 0.003576 0.000059 0.168027 0.000001 -0.007369 -0.046328 0.001156 0.001439 -0.004275 -0.000701 -0.001059 -0.000530 -0.000599 -0.000078 -0.002415 0.002244 -0.005813 0.006353 0.002160 0.000202 0.001411 0.003923 0.000657 -0.000774 0.000311 0.006215 -0.000334 0.001851 -0.001924 -0.000090 -0.000677 0.001053 -0.000972 0.000162 -0.006756 0.001973 0.001381 0.005361 0.006226 0.000253 0.000705 -0.001539 -0.000010 0.000213 0.000363 0.000522 0.000290 0.000318 0.000186 0.000157 0.000128 0.000083 0.000114 0.000037 -0.000173 -0.000319 -0.000284 -0.000372 -0.000311 -0.000407 -0.000390 -0.000264 -0.000181 -0.000056 0.000235 -0.418236 -0.051200 0.029790 0.021476 -0.013606 0.000289 0.064431 0.000346 0.007264 -0.020462 -0.007462 0.000231 -0.002944 0.000192 -0.000359 -0.000355 -0.000448 -0.000660 0.002210 -0.003583 0.002622 -0.004833 0.000413 0.001692 -0.000582 -0.004595 -0.000555 0.001955 -0.000663 -0.008976 -0.002502 0.000116 0.003039 0.001277 0.001147 0.000351 0.000480 0.002962 0.003249 -0.000536 -0.000133 -0.002619 -0.003341 -0.000474 -0.001116 0.000929 0.000052 0.000075 -0.000072 -0.000170 -0.000089 -0.000130 -0.000039 -0.000045 0.000020 0.000027 0.000087 0.000146 0.000634 0.000693 0.000570 0.000720 0.000584 0.000738 0.000605 0.000617 0.000350 0.000529 0.000218 0.303646 0.043867 -0.018046 -0.021315 0.010030 -0.000348 -0.232459 -0.000347 0.000105 0.066789 0.006305 -0.001670 0.007220 0.000509 0.001418 0.000885 0.001047 0.000738 0.000205 0.001339 0.003191 -0.001520 -0.002573 -0.001895 -0.000829 0.000672 -0.000102 -0.001181 0.000352 0.002761 0.002836 -0.001967 -0.001115 -0.001187 -0.000470 -0.001404 0.000492 -0.003125 0.003507 -0.001437 -0.001248 -0.002741 -0.002885 0.000222 0.000412 0.000610 -0.000042 -0.000288 -0.000291 -0.000353 -0.000201 -0.000188 -0.000147 -0.000112 -0.000148 -0.000110 -0.000201 -0.000182 -0.000461 -0.000375 -0.000287 -0.000349 -0.000274 -0.000331 -0.000215 -0.000352 -0.000169 -0.000473 -0.000453 0.114590 0.007333 -0.011743 -0.000161 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 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 0.043785 0.000646 -0.329959 0.001399 0.001192 0.009431 -0.007995 -0.002822 0.000158 -0.000653 0.001348 0.000184 0.000910 0.000274 -0.000917 0.000296 -0.008785 -0.001982 -0.004247 -0.000683 -0.000794 0.000320 -0.000151 0.000973 0.000315 0.000661 0.001168 -0.003355 0.000423 -0.000498 0.000220 0.000536 0.000115 0.001213 -0.000918 0.001744 0.002137 0.002634 0.001802 0.001304 0.001097 0.001289 0.000634 0.000443 0.000393 0.000461 0.000240 0.000177 0.000195 0.000140 0.000218 0.000170 0.000308 0.000278 0.000645 0.000353 0.000241 0.000200 0.000037 0.000290 0.000117 0.000599 0.000560 0.000766 0.000790 0.065639 -0.000339 -0.015830 0.013411 -0.047238 -0.000178 0.086717 -0.000030 0.002745 0.018964 -0.013330 -0.000884 0.000861 -0.000450 -0.000322 0.000341 0.002085 0.001181 0.006145 0.004871 -0.002776 0.000686 0.001082 -0.000199 0.000178 -0.000584 -0.000430 -0.001481 -0.001261 -0.004475 -0.003851 -0.000930 -0.000061 -0.000184 -0.000068 -0.000394 -0.000042 -0.000140 0.001351 -0.000781 0.000274 -0.002929 -0.001945 -0.001602 -0.002142 -0.000715 -0.000618 -0.000051 -0.000076 -0.000184 -0.000009 -0.000016 0.000019 0.000027 0.000022 0.000028 0.000000 0.000006 -0.000009 -0.000022 -0.000039 0.000015 0.000003 0.000068 0.000037 0.000186 0.000305 0.000130 0.000216 0.054940 0.003816 0.041478 -0.045676 -0.005133 -0.000207 -0.187725 -0.000535 0.003317 0.059173 0.008369 0.001889 0.004154 0.001267 -0.000020 0.000662 0.001867 0.000533 0.003544 0.002159 0.008501 -0.001434 -0.000144 0.002420 0.000111 -0.002952 -0.000045 0.002317 -0.000150 -0.002312 -0.000546 -0.000597 -0.000417 -0.000780 -0.000562 -0.001979 -0.001317 -0.004196 -0.008075 -0.000282 0.000345 -0.001001 0.000402 -0.000876 -0.000745 -0.000612 -0.000479 -0.000036 -0.000031 -0.000067 0.000003 0.000002 0.000016 0.000017 0.000023 0.000027 0.000007 0.000013 -0.000005 -0.000028 -0.000127 0.000110 0.000068 0.000334 0.000385 0.000439 0.000564 0.000252 0.000264 0.623081 -0.028155 0.017709 0.017096 0.6944 -0.5877 0.4152 0.1795 0.7003 0.691 0.6968 0.4053 -0.5918 -0.0617 -0.0074 0.0692 -1.069 -0.129 1.197 -0.381 -0.046 0.427 -0.356 -0.043 0.399 1 Fe 57 0.7724 -0.6332 0.0494 0.0994 0.1973 0.9753 0.6273 0.7484 -0.2153 -5.0E-4 -4.0E-4 9.0E-4 -0.104 -0.088 0.192 -0.037 -0.031 0.069 -0.035 -0.029 0.064 2 P 31 0.2259 0.5569 0.7992 0.6613 0.5148 -0.5456 0.7154 -0.6517 0.252 -0.3388 -0.1604 0.4992 -73.236 -34.68 107.917 -26.132 -12.375 38.507 -24.429 -11.568 35.997 3 P 31 0.6746 -0.6598 -0.331 0.3845 -0.0687 0.9206 0.6301 0.7483 -0.2074 -0.0014 -3.0E-4 0.0017 -0.181 -0.043 0.224 -0.065 -0.015 0.08 -0.061 -0.014 0.075 4 C 13 0.951 -0.007 -0.309 0.2792 -0.4098 0.8684 0.1327 0.9122 0.3878 -0.0083 -6.0E-4 0.0088 -1.11 -0.078 1.187 -0.396 -0.028 0.424 -0.37 -0.026 0.396 5 C 13 0.1323 0.876 -0.4638 0.9808 -0.1834 -0.0667 0.1435 0.4461 0.8834 -0.0504 -0.0494 0.0998 -6.759 -6.626 13.386 -2.412 -2.364 4.776 -2.255 -2.21 4.465 6 C 13 0.4578 0.8862 -0.0708 0.6564 -0.2832 0.6993 -0.5997 0.3666 0.7113 -0.0123 -0.0096 0.0219 -1.645 -1.288 2.933 -0.587 -0.459 1.047 -0.549 -0.43 0.978 7 C 13 -0.2637 -0.6433 0.7187 0.6503 0.4317 0.6251 0.7124 -0.6322 -0.3045 -0.003 -0.0013 0.0043 -1.62 -0.686 2.305 -0.578 -0.245 0.823 -0.54 -0.229 0.769 8 H 1 0.5841 0.7509 -0.3083 0.809 -0.5694 0.1457 0.0662 0.3345 0.9401 -0.0045 -0.0042 0.0088 -0.608 -0.568 1.175 -0.217 -0.203 0.419 -0.203 -0.189 0.392 9 C 13 0.6851 0.6541 -0.3207 0.6686 -0.3897 0.6333 -0.2893 0.6483 0.7043 -0.0011 -7.0E-4 0.0019 -0.594 -0.398 0.992 -0.212 -0.142 0.354 -0.198 -0.133 0.331 10 H 1 0.7924 -0.6061 0.0688 0.5738 0.7789 0.2532 -0.207 -0.1612 0.965 -0.0021 6.0E-4 0.0015 -0.284 0.084 0.2 -0.101 0.03 0.071 -0.095 0.028 0.067 11 C 13 -0.532 0.8146 -0.2312 0.8199 0.4272 -0.3812 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2.55226 2.55351 2.55671 2.56068 2.56481 2.56619 2.56956 2.57161 2.57435 2.57848 2.58105 2.58471 2.58624 2.58803 2.58873 2.59316 2.59481 2.59998 2.60033 2.60418 2.60570 2.60759 2.61302 2.61438 2.61958 2.62333 2.62440 2.62705 2.62845 2.63194 2.63603 2.64110 2.64480 2.64635 2.64819 2.64929 2.65165 2.65668 2.66008 2.66161 2.66284 2.67193 2.67683 2.67936 2.68201 2.68335 2.68504 2.68700 2.69289 2.69836 2.70039 2.70316 2.70770 2.70820 2.71629 2.71855 2.72157 2.72520 2.72726 2.73070 2.73324 2.73623 2.73909 2.74120 2.74302 2.74680 2.75105 2.75649 2.76146 2.76987 2.77154 2.77558 2.77782 2.78037 2.78401 2.78601 2.78729 2.78849 2.79357 2.80090 2.80161 2.80529 2.80693 2.81232 2.81316 2.81886 2.81993 2.82233 2.82520 2.82768 2.83137 2.83407 2.83693 2.83855 2.84193 2.84512 2.84695 2.85019 2.85552 2.86097 2.86363 2.86677 2.87156 2.87654 2.88038 2.88398 2.89120 2.89688 2.90416 2.90462 2.90880 2.91363 2.91723 2.92238 2.92547 2.93327 2.94716 2.95258 2.96022 2.96278 2.96850 2.97407 2.97764 2.98052 2.98777 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4.05013 4.05158 4.05349 4.05745 4.06066 4.06414 4.06694 4.07024 4.07484 4.07641 4.07910 4.09075 4.09311 4.09627 4.10170 4.10554 4.10904 4.11066 4.11564 4.11711 4.11861 4.12383 4.12543 4.14023 4.14624 4.14979 4.15525 4.15985 4.16949 4.17648 4.18736 4.18934 4.19542 4.19855 4.19966 4.21249 4.21849 4.22411 4.24274 4.25201 4.25941 4.28582 4.29384 4.31261 4.32702 4.37901 4.39274 4.40339 4.41120 4.41974 4.42367 4.42673 4.43240 4.43974 4.44443 4.44705 4.45303 4.45662 4.45935 4.46121 4.46635 4.46902 4.47407 4.51462 4.51615 4.52628 4.53502 4.54342 4.54642 4.55137 4.55558 4.56073 4.56762 4.57250 4.58630 4.61159 4.62007 4.64443 4.64551 4.65764 4.66620 4.69450 4.70292 4.71159 4.71962 4.72858 4.73510 4.74452 4.74841 4.75957 4.76199 4.82628 4.85470 4.88185 4.89015 4.89858 4.90179 4.90466 4.90989 4.91357 4.91548 4.91813 4.91841 4.92092 4.92996 4.96366 4.97639 4.97910 4.99421 5.03567 5.04426 5.04726 5.04836 5.05133 5.07413 5.08341 5.08888 5.10761 5.10896 5.11709 5.12571 5.13763 5.14931 5.18704 5.18826 5.19596 5.20242 5.36667 5.37484 5.38296 5.38670 5.80254 7.47916 7.51084 7.65129 7.68829 7.70132 7.72728 15.67296 15.80215 21.24402 21.25896 21.35901 21.40218 21.47408 21.67834 21.68350 21.69299 21.69467 21.70591 21.71556 21.71900 21.72777 21.73653 21.75251 21.78909 21.80116 21.80741 21.82492 21.84396 21.84976 21.85735 21.87024 21.87236 21.90396 21.91320 21.94367 21.95498 21.97244 22.12225 22.13492 22.15998 22.18990 22.20228 22.24297 -1.0666 0.2395 1.8251 2.1274 -242.4594 -246.4846 -239.8423 -10.0651 12.8138 10.3057 0.4694 -3.5559 3.0865 -10.0651 12.8138 10.3057 -1823.5197 -2206.0809 1686.6355 -677.2930 -797.7446 666.3327 -663.4506 -759.3851 659.3530 95.4177 -22490.8103 -20101.9872 -13306.6368 -8587.2030 6000.4529 -8956.9561 5604.4795 5541.8998 5362.6914 -7711.1686 -6790.3006 -5995.5101 2399.7697 2305.8559 -3305.8313 GINC-T7820 DJN 2023-08-22T00:00:00.000 0 dppf-Me radical formn TS 0 2 Version=ES64L-G16RevC.01 HF=-3297.5151141 S2=0.75859 S2-1=0. 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