Gaussian 16 25-Oct-2022 Gaussian 16 25-Dec-2016 ES64L-G16RevA.03 71 71 149 149 1551 (5D, 7F) def2TZVP 207 C1[X(C44H26O)] RwB97XD def2TZVP SP #Pwb97xd/def2tzvp Integral(Grid=Ultrafine) 544.4701999999996 0 1 AuxInfo=1/0/N:10,42,26,58,9,41,28,60,12,44,24,56,7,39,30,62,15,47,22,54,16,48,20,52,3,35,14,46,23,55,6,38,32,64,18,50,19,51,5,37,2,34,33,65,1/E:(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)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,22.3,23.3,24.3,25.3,26.3,27.3,28.3,29.3,30.3,31.3,32.3,33.3,34.3,35.3,36.3,37.3,38.3,39.3,40.3,41.3,42.3,43.3,44.3/rA:71OC3C3HC3C3C3HC3C3HC3HC3C3C3HC3C3C3HC3C3C3HC3HC3HC3HC3C3C3C3HC3C3C3HC3C3HC3HC3C3C3HC3C3C3HC3C3C3HC3HC3HC3HC3C3HHHHHH/rB:s1;s2;s3;s3;s5;s6;s7;s7;s9;s10;s10;s12;s6s12;s14;s15;s16;s5s16;s18;s19;s20;s20;s22;s23;s24;s24;s26;s26;s28;s28;s30;s23s30;s2s19s32;s1;s34;s35;s35;s37;s38;s39;s39;s41;s42;s42;s44;s38s44;s46;s47;s48;s37s48;s50;s51;s52;s52;s54;s55;s56;s56;s58;s58;s60;s60;s62;s55s62;s34s51s64;s22;s47;s41;s15;s9;s54;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g16 /home/builder/Westmere/Gaussian/g16_a03/g16/l1.exe "/scratch/stereo2.294659/Gau-9639.inp" -scrdir="/scratch/stereo2.294659/" nproc=12 mem=24GB #P wb97xd/def2tzvp Integral(Grid=Ultrafine) 1/38=1,172=1/1 2/12=2,17=6,18=5,40=1/2 3/5=44,7=101,11=2,25=1,30=1,74=-58,75=-5/1,2,3 4//1 5/5=2,38=5/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 TS isomer 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 70 71 16 12 12 1 12 12 12 1 12 12 1 12 1 12 12 12 1 12 12 12 1 12 12 12 1 12 1 12 1 12 1 12 12 12 12 1 12 12 12 1 12 12 1 12 1 12 12 12 1 12 12 12 1 12 12 12 1 12 1 12 1 12 1 12 12 1 1 1 1 1 1 15.9949146 12.0000000 12.0000000 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 1 0 0 0 1 0 0 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 1 0 1 0 1 0 0 0 0 1 0 0 0 1 0 0 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 1 0 1 0 1 0 0 1 1 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /home/builder/Westmere/Gaussian/g16_a03/g16/l101.exe) 0.10000e-02 0.10000e-05 F 1776 A 1551 A 2503 1776 4898.1313345446 71 1.00e+00 60 T IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=121 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Grimme-D2 -0.0656196901 C44H26O C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 544.4701999999996 AuxInfo=1/0/N:10,42,26,58,9,41,28,60,12,44,24,56,7,39,30,62,15,47,22,54,16,48,20,52,3,35,14,46,23,55,6,38,32,64,18,50,19,51,5,37,2,34,33,65,1/E:(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)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,22.3,23.3,24.3,25.3,26.3,27.3,28.3,29.3,30.3,31.3,32.3,33.3,34.3,35.3,36.3,37.3,38.3,39.3,40.3,41.3,42.3,43.3,44.3/rA:71OC3C3HC3C3C3HC3C3HC3HC3C3C3HC3C3C3HC3C3C3HC3HC3HC3HC3C3C3C3HC3C3C3HC3C3HC3HC3C3C3HC3C3C3HC3C3C3HC3HC3HC3HC3C3HHHHHH/rB:s1;s2;s3;s3;s5;s6;s7;s7;s9;s10;s10;s12;s6s12;s14;s15;s16;s5s16;s18;s19;s20;s20;s22;s23;s24;s24;s26;s26;s28;s28;s30;s23s30;s2s19s32;s1;s34;s35;s35;s37;s38;s39;s39;s41;s42;s42;s44;s38s44;s46;s47;s48;s37s48;s50;s51;s52;s52;s54;s55;s56;s56;s58;s58;s60;s60;s62;s55s62;s34s51s64;s22;s47;s41;s15;s9;s54;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.0777005 0.0750086 0.0392479 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= 1720 1720 1720 1720 1720 MxSgAt= 71 MxSgA2= 71. 1 Closed 1 0 1 -1767.09339792911 -1767.09390875784 -0.000510828731 -1767.33713153099 -0.243222773143 -1767.39559270700 -0.058461176010 -1767.60950856628 -0.213915859278 -1767.61590806421 -0.006399497935 -1767.61622894593 -0.000320881722 -1767.61630009153 -0.000071145599 -1767.61630831951 -0.000008227981 -1767.61631023922 -0.000001919705 -1767.61631061141 -0.000000372194 -1767.61631067056 -0.000000059147 -1767.61631068300 -0.000000012440 -1767.61631068638 -0.000000003378 -1767.61631068712 -0.000000000749 -1767.61631068730 -0.000000000173 -1767.61631069 16 1.757871219997e+03 -1.389889303811e+04 5.475339792573e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3221225472 LenX= 3214880771 LenY= 3211724819 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Integral accuracy reduced to 1.0D-05 until final iterations. PT107841.900S 2022-10-25T19:12:28.000 -19.31092 -10.37235 -10.37221 -10.31442 -10.31413 -10.31327 -10.31302 -10.31083 -10.31055 -10.30811 -10.30806 -10.30783 -10.30781 -10.30642 -10.30613 -10.30426 -10.30403 -10.30242 -10.30215 -10.29711 -10.29682 -10.29627 -10.29606 -10.29598 -10.29596 -10.29576 -10.29575 -10.29568 -10.29543 -10.29538 -10.29516 -10.29496 -10.29474 -10.29376 -10.29354 -10.29346 -10.29302 -10.29210 -10.29185 -10.29079 -10.29056 -10.28734 -10.28716 -10.28666 -10.28649 -1.20730 -1.00298 -0.99684 -0.98059 -0.98011 -0.95621 -0.95331 -0.92673 -0.92034 -0.91862 -0.91041 -0.88772 -0.88215 -0.86907 -0.86490 -0.85649 -0.85613 -0.83534 -0.83416 -0.82736 -0.82128 -0.81582 -0.81183 -0.76380 -0.74528 -0.73849 -0.73165 -0.72794 -0.71626 -0.71062 -0.70925 -0.69820 -0.69136 -0.68953 -0.68838 -0.67145 -0.64099 -0.62789 -0.62448 -0.62124 -0.61854 -0.60972 -0.60930 -0.60115 -0.58589 -0.58242 -0.58002 -0.57082 -0.56870 -0.56035 -0.55522 -0.55353 -0.54559 -0.54145 -0.53657 -0.52782 -0.51949 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2.46980 2.47399 2.47508 2.47799 2.49250 2.49920 2.50772 2.51649 2.52317 2.52867 2.53360 2.54198 2.54331 2.55203 2.55255 2.55839 2.55917 2.56252 2.57472 2.57761 2.58193 2.58917 2.59038 2.59974 2.60600 2.61017 2.61316 2.61705 2.62460 2.62824 2.62967 2.63667 2.63999 2.64360 2.65329 2.65419 2.65540 2.65966 2.66531 2.67276 2.67715 2.68110 2.68606 2.68750 2.69087 2.69475 2.69742 2.70524 2.70559 2.70727 2.70997 2.71425 2.71877 2.71984 2.72302 2.72396 2.72586 2.73726 2.74068 2.74162 2.74843 2.75316 2.75816 2.75875 2.76867 2.77007 2.77285 2.77389 2.77700 2.78244 2.78646 2.78867 2.79717 2.79972 2.80044 2.80281 2.80330 2.80814 2.81237 2.81677 2.81754 2.82138 2.82715 2.82796 2.83289 2.83432 2.84184 2.84236 2.84811 2.84884 2.85175 2.85826 2.86189 2.86333 2.86486 2.86684 2.87163 2.87279 2.87775 2.88139 2.88619 2.88870 2.89332 2.89531 2.89864 2.90189 2.90496 2.90724 2.90853 2.91057 2.91239 2.91635 2.92277 2.92360 2.92936 2.93269 2.93325 2.93699 2.93817 2.94088 2.94673 2.94747 2.95374 2.95626 2.95743 2.96100 2.96283 2.96606 2.96636 2.96982 2.97986 2.98107 2.98246 2.98336 2.98563 2.98939 2.99037 2.99285 2.99585 2.99672 2.99720 2.99775 3.00931 3.01020 3.01737 3.02053 3.02394 3.02805 3.02872 3.03266 3.03288 3.03947 3.03996 3.04044 3.04983 3.05165 3.05313 3.05633 3.06309 3.07110 3.07181 3.07531 3.07574 3.08080 3.08278 3.08684 3.09035 3.09371 3.09586 3.09994 3.10331 3.10515 3.11080 3.11214 3.11277 3.11364 3.12021 3.12480 3.13184 3.13406 3.13603 3.13730 3.14044 3.14467 3.14801 3.15018 3.15196 3.15363 3.15889 3.16256 3.16474 3.16870 3.17064 3.17201 3.17623 3.18140 3.18420 3.18654 3.18942 3.19045 3.19422 3.20151 3.20427 3.20789 3.21062 3.21351 3.21583 3.21852 3.22244 3.22334 3.22460 3.22902 3.23408 3.23711 3.23931 3.24429 3.25176 3.25432 3.26046 3.26103 3.26614 3.26829 3.26983 3.27461 3.27707 3.27747 3.28178 3.28248 3.28645 3.28992 3.29124 3.29209 3.29627 3.29680 3.30122 3.30258 3.30747 3.31203 3.31237 3.31270 3.31972 3.32404 3.32550 3.32882 3.33223 3.33345 3.33783 3.34444 3.34468 3.34865 3.35280 3.35766 3.36390 3.36767 3.37074 3.37341 3.37591 3.37808 3.37963 3.38846 3.39264 3.39377 3.39740 3.40055 3.40235 3.40834 3.40870 3.41322 3.41429 3.41515 3.41718 3.42212 3.42275 3.42529 3.42608 3.43263 3.43355 3.43600 3.43677 3.44023 3.44224 3.44956 3.45068 3.45265 3.45967 3.46292 3.46477 3.46749 3.47136 3.47744 3.48116 3.48590 3.48677 3.48932 3.48983 3.49536 3.49676 3.50458 3.50576 3.50917 3.50994 3.51715 3.51735 3.52217 3.52347 3.53321 3.53400 3.53486 3.53954 3.54192 3.54637 3.54857 3.55283 3.55372 3.55700 3.55941 3.56040 3.56467 3.56558 3.56947 3.57410 3.57554 3.57810 3.58836 3.59157 3.59238 3.59361 3.60443 3.60604 3.60783 3.61336 3.61370 3.61610 3.61954 3.62274 3.62429 3.62929 3.63178 3.63379 3.63531 3.63564 3.64369 3.64865 3.65398 3.65480 3.65728 3.65738 3.66346 3.67084 3.67360 3.67559 3.67712 3.68352 3.68454 3.68638 3.69195 3.69388 3.69761 3.69856 3.70556 3.71139 3.71239 3.72126 3.72737 3.72816 3.73278 3.73797 3.73967 3.74507 3.74528 3.75387 3.76421 3.76634 3.77787 3.77949 3.77988 3.78191 3.78895 3.79678 3.80637 3.81562 3.82533 3.83232 3.83338 3.83384 3.83665 3.83999 3.85228 3.86552 3.86771 3.87064 3.87138 3.87946 3.88247 3.88356 3.88910 3.90154 3.90313 3.91640 3.92269 3.92542 3.93604 3.93672 3.93809 3.94675 3.94726 3.95751 3.96093 3.96599 3.97181 3.97474 3.97657 3.97900 3.98757 3.99721 4.00209 4.00676 4.01007 4.01401 4.02693 4.03448 4.04253 4.04415 4.05051 4.05140 4.06501 4.07014 4.07499 4.07769 4.07960 4.08316 4.09011 4.10442 4.10990 4.11148 4.12098 4.12545 4.12997 4.14521 4.15633 4.15860 4.16227 4.16631 4.17300 4.17571 4.19188 4.19225 4.19455 4.20152 4.20828 4.21463 4.21816 4.22409 4.22657 4.23419 4.23451 4.24074 4.24629 4.24783 4.24848 4.25345 4.25367 4.26037 4.26380 4.26941 4.27045 4.28068 4.28705 4.28930 4.29066 4.29479 4.29614 4.30961 4.31159 4.31561 4.31940 4.32213 4.32262 4.32666 4.32880 4.33306 4.33432 4.34000 4.34612 4.34786 4.34819 4.36536 4.36660 4.37069 4.37170 4.37591 4.37680 4.38619 4.39206 4.39308 4.39353 4.39775 4.39792 4.40703 4.41206 4.42040 4.42160 4.42726 4.42859 4.43316 4.43417 4.44847 4.44931 4.46178 4.46694 4.47110 4.48524 4.49742 4.50000 4.50496 4.50667 4.52173 4.53525 4.53642 4.53778 4.54052 4.54112 4.55080 4.55240 4.56639 4.56988 4.57565 4.58577 4.60763 4.61377 4.61409 4.61687 4.62041 4.62412 4.62769 4.63334 4.65741 4.66162 4.67543 4.68643 4.69189 4.69892 4.70186 4.70781 4.72727 4.73072 4.73695 4.75362 4.78024 4.78093 4.78416 4.80192 4.81023 4.81713 4.81951 4.82300 4.85317 4.85414 4.86133 4.86798 4.87318 4.88366 4.89203 4.89611 4.90808 4.90882 4.91859 4.92400 4.93376 4.94349 4.95326 4.95817 4.96127 4.96331 4.98500 4.98619 4.99830 5.00719 5.01213 5.03581 5.04019 5.04410 5.06123 5.06744 5.07925 5.08491 5.11156 5.11287 5.11438 5.12353 5.13214 5.14523 5.15934 5.17444 5.20189 5.20281 5.20780 5.21247 5.21662 5.22328 5.24751 5.26062 5.27869 5.28626 5.30559 5.31318 5.32759 5.33372 5.33851 5.34047 5.35536 5.35930 5.36643 5.36805 5.38327 5.39829 5.40932 5.42537 5.43129 5.46585 5.49046 5.49312 5.51087 5.51309 5.52905 5.52925 5.57385 5.61089 5.62317 5.62361 5.64327 5.64398 5.65499 5.68534 5.70000 5.70479 5.78552 5.78683 5.80131 5.80776 5.83591 5.86085 5.86316 5.87425 5.91822 5.97008 5.98802 6.04039 6.07402 6.19219 6.22744 6.38099 6.39195 6.70181 6.72912 7.02876 7.03430 7.07617 7.56716 7.60534 21.96234 22.20195 22.49975 22.57646 22.67719 22.68746 22.74431 22.74451 22.75991 22.76488 22.76913 22.77742 22.80037 22.81190 22.81759 22.83097 22.83409 22.84291 22.91836 22.92690 22.97938 22.98429 23.01222 23.01495 23.04413 23.05422 23.07711 23.08254 23.10139 23.11514 23.20072 23.20428 23.23524 23.23981 23.26091 23.28611 23.32371 23.33742 23.50510 23.50787 23.78907 23.79958 24.10918 24.13093 44.87456 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 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 70 71 O C C H C C C H C C H C H C C C H C C C H C C C H C H C H C H C C C C H C C C H C C H C H C C C H C C C H C C C H C H C H C H C C H H H H H H -0.312671 0.221719 -0.231749 0.067918 0.103066 0.105979 -0.315440 0.175288 -0.119548 -0.111660 0.119585 -0.165149 0.113702 0.127109 -0.222266 -0.236768 0.097649 0.145209 0.150171 -0.227451 0.105193 -0.203896 0.154179 -0.197065 0.111325 -0.107227 0.116676 -0.114999 0.120458 -0.141090 0.151135 -0.028117 0.060694 0.222283 -0.217698 0.047330 0.096262 0.099716 -0.311909 0.181873 -0.121637 -0.110561 0.119484 -0.166084 0.113596 0.129949 -0.222908 -0.234680 0.097388 0.144758 0.146159 -0.226769 0.105501 -0.204974 0.152485 -0.194970 0.111217 -0.107351 0.116554 -0.117294 0.121358 -0.147678 0.152045 -0.021077 0.064046 0.108810 0.105560 0.121350 0.105614 0.121502 0.108789 -0.00000 0.0637 0.0311 -0.0154 0.0725 -221.0494 -227.4323 -268.6579 0.1512 0.2720 -12.2975 17.9972 11.6142 -29.6114 0.1512 0.2720 -12.2975 6.8643 -2.2389 0.6706 8.9769 0.6832 -0.4666 -15.5474 0.8543 -3.2988 12.5764 -16064.3479 -15645.9627 -864.9790 1.4279 5.6170 6.8475 -494.3437 -0.6957 -22.2373 -5232.0048 -3336.0008 -3263.6669 -85.7127 2.2486 1.4863 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-LAME16 STEREO2 2022-10-25T00:00:00.000 0 TS isomer 0 1 Version=ES64L-G16RevA.03 State=1-A HF=-1767.6163107 RMSD=7.432e-09 Dipole=-0.0250654,-0.0122217,-0.0060624 Quadrupole=13.3804406,8.6348953,-22.0153359,0.1124222,-0.2022178,9.1429133 PG=C01 [X(C44H26O1)] 0 0.927138 0.016589 0.041236 0 0.393749 -1.232161 0.146166 0 -0.938612 -1.522081 0.279883 0 -1.642671 -0.732986 0.492253 0 -1.439874 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5.327168 0.680754