Gaussian 16 17-Nov-2022 Gaussian 16 25-Dec-2016 ES64L-G16RevA.03 69 69 158 158 1553 (5D, 7F) def2TZVP 201 C1[X(C44H24Ni)] RwB97XD def2TZVP SP #P wB97XD/def2TZVP Integral(Grid=Ultrafine) maxdisk=100GB SCRF(SMD, Solvent=Acetonitrile) 587.1641999999999 0 1 AuxInfo=1/0/N:48,52,49,53,47,51,46,50,28,16,26,13,1,2,27,15,25,14,9,12,10,11;41,45,40,44,38,42,39,43,19,20,18,17,3,4,24,22,23,21,5,6,8,7;37/E:2*(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22);/CRV:2*1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.2,14.2,15.3,16.3,17.3,18.3,19.3,20.3,21.3,22.3;/rA:69C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHNiC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHH/rB:s1;;s3;s3;s4;s6;s5s7;s1;s9;s10;s2s11;s11;s12;s14;s13s15;s7;s8;s18;s17;s6;s20s21;s5;s19s23;s9;s10;s25;s26s27;s19;s18;s17;s20;s16;s13;s26;s28;s1s2s3s4;s24;s23;s39;s38s40;s22;s21;s43;s42s44;s25;s27;s47;s46s48;s14;s15;s51;s50s52;s51;s52;s53;s50;s47;s48;s49;s46;s39;s40;s41;s38;s42;s45;s44;s43;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g16 /share/programs/G16_SLATER/g16/l1.exe "/scratch/aartigas.123242/Gau-5267.inp" -scrdir="/scratch/aartigas.123242/" nproc=6 mem=12GB #P wB97XD/def2TZVP Integral(Grid=Ultrafine) maxdisk=100GB SCRF(SMD, So 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=1,70=32201,72=2,74=-58,75=-5/1,2,3 4//1 5/5=2,38=5,53=2/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 OPT 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 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 58 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 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 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 57.9353471 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 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 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 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 (Enter /share/programs/G16_SLATER/g16/l101.exe) 0.10000e-02 0.10000e-05 F 1780 A 1553 A 2538 1780 5696.4827261773 69 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 -0.0738467563 PCM SMD-Coulomb. Total charges None On-the-fly selection Acetonitrile 35.688000 1.806874 C44H24Ni 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 0 587.1641999999999 AuxInfo=1/0/N:48,52,49,53,47,51,46,50,28,16,26,13,1,2,27,15,25,14,9,12,10,11;41,45,40,44,38,42,39,43,19,20,18,17,3,4,24,22,23,21,5,6,8,7;37/E:2*(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22);/CRV:2*1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.2,14.2,15.3,16.3,17.3,18.3,19.3,20.3,21.3,22.3;/rA:69C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHNiC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHH/rB:s1;;s3;s3;s4;s6;s5s7;s1;s9;s10;s2s11;s11;s12;s14;s13s15;s7;s8;s18;s17;s6;s20s21;s5;s19s23;s9;s10;s25;s26s27;s19;s18;s17;s20;s16;s13;s26;s28;s1s2s3s4;s24;s23;s39;s38s40;s22;s21;s43;s42s44;s25;s27;s47;s46s48;s14;s15;s51;s50s52;s51;s52;s53;s50;s47;s48;s49;s46;s39;s40;s41;s38;s42;s45;s44;s43;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.1060260 0.0609999 0.0472114 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= 1705 1705 1705 1705 1705 MxSgAt= 69 MxSgA2= 69. 1 Closed 1 1 1 -3180.71909626596 -3186.73975700537 -6.020660739408 -3187.91812506262 -1.178368057255 -3197.56299580985 -9.644870747228 -3194.56010676556 3.002889044292 -3199.41714888929 -4.857042123727 -3199.49365562274 -0.076506733449 -3199.50356232521 -0.009906702471 -3199.50690652614 -0.003344200932 -3199.50789758094 -0.000991054803 -3199.50824262990 -0.000345048962 -3199.50837572707 -0.000133097166 -3199.50842753935 -0.000051812280 -3199.50845278170 -0.000025242354 -3199.50846186992 -0.000009088213 -3199.50846304675 -0.000001176830 -3199.50846322760 -0.000000180849 -3199.50846340838 -0.000000180788 -3199.50846346653 -0.000000058149 -3199.50846346951 -0.000000002976 -3199.50846347068 -0.000000001173 -3199.50846347148 -0.000000000799 -3199.50846347163 -0.000000000147 -3199.50846347190 -0.000000000267 -3199.50846347 24 3.187886851979e+03 -1.892068915813e+04 6.836901063867e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1610612736 LenX= 1604250117 LenY= 1601079937 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. PT235606.800S 2022-11-17T20:44:44.000 -300.07642 -35.92473 -31.34135 -31.32994 -31.31418 -10.32713 -10.32711 -10.31900 -10.31900 -10.31181 -10.31181 -10.31141 -10.31141 -10.30933 -10.30933 -10.30557 -10.30557 -10.30258 -10.30258 -10.30229 -10.30228 -10.30154 -10.30154 -10.29317 -10.29317 -10.29215 -10.29215 -10.29199 -10.29199 -10.29095 -10.29095 -10.29064 -10.29064 -10.29036 -10.29036 -10.29016 -10.29016 -10.28979 -10.28979 -10.28951 -10.28951 -10.28914 -10.28913 -10.28907 -10.28907 -10.28822 -10.28822 -10.28118 -10.28118 -4.11999 -2.71907 -2.70812 -2.67616 -1.00266 -0.99607 -0.98045 -0.97892 -0.95496 -0.95345 -0.92197 -0.91860 -0.91785 -0.90808 -0.88210 -0.87796 -0.86685 -0.86298 -0.85777 -0.85462 -0.83268 -0.83208 -0.81950 -0.81732 -0.81672 -0.80800 -0.74097 -0.73791 -0.72667 -0.72147 -0.72086 -0.71381 -0.70680 -0.70415 -0.69405 -0.68952 -0.68813 -0.68760 -0.63027 -0.62208 -0.62017 -0.61745 -0.61672 -0.61230 -0.60234 -0.60113 -0.58196 -0.57968 -0.57097 -0.55924 -0.55234 -0.55203 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2.40002 2.40043 2.41286 2.42388 2.42410 2.42963 2.44183 2.44784 2.45613 2.45961 2.46443 2.47224 2.47705 2.48024 2.48249 2.48619 2.50253 2.51119 2.51574 2.52476 2.53302 2.53740 2.54176 2.54817 2.55247 2.55293 2.56162 2.56322 2.57022 2.57512 2.57878 2.58633 2.58820 2.59527 2.59763 2.60312 2.60685 2.62409 2.63138 2.63145 2.63483 2.63628 2.63698 2.64080 2.64256 2.65185 2.66184 2.66322 2.67595 2.67708 2.68211 2.68702 2.68978 2.69688 2.69966 2.70448 2.70816 2.70827 2.71197 2.71400 2.71482 2.71598 2.72214 2.72404 2.72651 2.72702 2.73352 2.73461 2.74010 2.74133 2.74344 2.74558 2.75234 2.75503 2.75842 2.76291 2.77206 2.77279 2.77603 2.78269 2.78351 2.79013 2.79134 2.79628 2.80158 2.80164 2.80504 2.80886 2.81110 2.81955 2.82068 2.82337 2.82857 2.83016 2.83169 2.83785 2.84040 2.84125 2.84136 2.84737 2.84933 2.85120 2.85198 2.85556 2.85893 2.86206 2.86210 2.86398 2.86788 2.87169 2.87603 2.87737 2.87954 2.88174 2.89360 2.89433 2.89449 2.90474 2.90945 2.90992 2.91273 2.91340 2.91826 2.92259 2.92634 2.92806 2.93127 2.93600 2.93964 2.94331 2.94523 2.95165 2.95222 2.95489 2.95630 2.96337 2.96865 2.97163 2.97586 2.97811 2.97827 2.98336 2.99033 2.99085 2.99686 2.99724 2.99950 3.00310 3.00612 3.00860 3.01094 3.01503 3.01557 3.01838 3.02371 3.02390 3.03016 3.03176 3.03316 3.03487 3.04266 3.04298 3.04906 3.05220 3.05246 3.05632 3.06284 3.06530 3.06653 3.07009 3.07601 3.08097 3.08326 3.08580 3.09496 3.09710 3.09780 3.10145 3.10430 3.10493 3.10673 3.10960 3.11229 3.11691 3.12220 3.12420 3.12545 3.13012 3.13277 3.13705 3.14057 3.14869 3.15050 3.15630 3.15731 3.15764 3.16289 3.16322 3.16789 3.17017 3.17455 3.17479 3.18016 3.18059 3.19093 3.19528 3.20044 3.20316 3.20583 3.20598 3.21051 3.21386 3.22013 3.22362 3.22430 3.23017 3.23242 3.23652 3.23998 3.24106 3.24843 3.24966 3.25159 3.25776 3.25816 3.26265 3.26527 3.26603 3.27084 3.27444 3.27896 3.28227 3.28370 3.28591 3.29013 3.29546 3.29793 3.29991 3.30574 3.30582 3.30787 3.30853 3.31189 3.31192 3.31341 3.31966 3.32036 3.32213 3.32881 3.32926 3.33310 3.33472 3.34848 3.34861 3.35042 3.35084 3.36268 3.36935 3.37010 3.37425 3.37647 3.37798 3.38785 3.39013 3.39141 3.39272 3.39691 3.39768 3.40164 3.40519 3.40805 3.41066 3.41281 3.41572 3.41957 3.42576 3.42663 3.42936 3.42985 3.43160 3.44075 3.44398 3.44444 3.44822 3.45209 3.45679 3.45983 3.46209 3.46280 3.46506 3.46805 3.46945 3.47350 3.48032 3.48241 3.48343 3.48819 3.49029 3.49346 3.49756 3.50088 3.50111 3.50777 3.50981 3.51661 3.52211 3.52224 3.52976 3.52977 3.53241 3.53594 3.54049 3.54111 3.54572 3.54580 3.55110 3.55245 3.55541 3.55945 3.56137 3.56415 3.56419 3.56696 3.57127 3.57604 3.58062 3.58264 3.58864 3.59202 3.59603 3.60394 3.60646 3.60696 3.60984 3.61425 3.61475 3.61504 3.61847 3.62263 3.62336 3.62995 3.63032 3.63419 3.63603 3.63947 3.64539 3.64636 3.64724 3.65409 3.65936 3.66173 3.66363 3.66706 3.67349 3.67533 3.67984 3.68706 3.68887 3.69111 3.69169 3.69429 3.69445 3.69726 3.70022 3.70556 3.71231 3.71240 3.71614 3.72638 3.72714 3.73062 3.73529 3.73762 3.74412 3.74870 3.75190 3.75525 3.76383 3.77137 3.77565 3.77758 3.78740 3.79202 3.79970 3.80932 3.81615 3.81787 3.82284 3.82459 3.83483 3.85026 3.85132 3.85819 3.86395 3.86656 3.87125 3.87248 3.87250 3.87669 3.88777 3.89734 3.89927 3.90795 3.91073 3.91249 3.91574 3.92200 3.92327 3.92790 3.93629 3.93726 3.95205 3.95652 3.96279 3.96423 3.96609 3.97061 3.97335 3.97669 3.98085 3.99163 4.00543 4.00596 4.00815 4.01486 4.02235 4.04023 4.04528 4.04773 4.05663 4.06138 4.06180 4.06920 4.07681 4.08292 4.08698 4.09380 4.09485 4.10731 4.11636 4.11715 4.12217 4.12730 4.12888 4.13381 4.14075 4.14756 4.15358 4.17240 4.17300 4.17940 4.18949 4.19378 4.19645 4.20233 4.20433 4.20446 4.21670 4.22688 4.22827 4.23225 4.23888 4.23990 4.24208 4.24825 4.24924 4.26060 4.26714 4.27006 4.27597 4.27880 4.27891 4.28115 4.28209 4.28648 4.28890 4.29351 4.29577 4.29818 4.30235 4.30701 4.30948 4.31691 4.31891 4.32747 4.33177 4.33375 4.34070 4.34200 4.34371 4.35384 4.35611 4.35996 4.36955 4.37271 4.37771 4.38607 4.38812 4.38875 4.39793 4.39989 4.40084 4.40109 4.40347 4.40370 4.40777 4.41292 4.41300 4.41531 4.42141 4.42862 4.43212 4.43488 4.44595 4.44652 4.45470 4.46304 4.47421 4.47561 4.47752 4.49180 4.50268 4.51347 4.51789 4.52162 4.52391 4.52695 4.53896 4.53953 4.54886 4.55116 4.55561 4.57202 4.57708 4.58498 4.59976 4.60673 4.61818 4.61922 4.61971 4.62464 4.63003 4.63539 4.64494 4.65486 4.66311 4.66414 4.66547 4.67667 4.69012 4.69455 4.69665 4.70226 4.71103 4.73462 4.74824 4.76982 4.76993 4.79407 4.79716 4.80299 4.80327 4.81258 4.82670 4.82966 4.84274 4.85240 4.85609 4.85973 4.88236 4.88531 4.89158 4.89549 4.90093 4.90427 4.91255 4.91937 4.92692 4.93415 4.95307 4.95519 4.96273 4.98069 4.99598 4.99749 5.00962 5.01189 5.01387 5.02542 5.02819 5.04134 5.04674 5.05728 5.06106 5.06109 5.06798 5.11127 5.12542 5.13453 5.13767 5.15249 5.15892 5.16390 5.18371 5.19614 5.20175 5.20181 5.22021 5.22652 5.23797 5.25934 5.28699 5.29212 5.30718 5.32328 5.32732 5.32924 5.34506 5.35289 5.35589 5.35849 5.36423 5.37124 5.39735 5.40303 5.41327 5.42342 5.43032 5.44037 5.48963 5.49698 5.50547 5.51575 5.53935 5.56419 5.58293 5.58745 5.62317 5.62974 5.67055 5.68051 5.70667 5.71586 5.71902 5.73606 5.74649 5.76409 5.78656 5.80387 5.80936 5.82790 5.83460 5.86862 5.89069 5.89943 5.91323 5.95452 5.96724 6.00011 6.01569 6.08923 6.09092 6.13076 6.16068 6.39279 6.39758 22.29310 22.32502 22.54532 22.57367 22.69539 22.69777 22.74008 22.74639 22.76457 22.77600 22.77603 22.78126 22.80973 22.82659 22.83478 22.84774 22.88320 22.90498 22.92911 22.93484 22.99120 23.00745 23.03446 23.03783 23.05466 23.06411 23.09161 23.11169 23.12571 23.12793 23.21652 23.22773 23.24536 23.25147 23.29696 23.30161 23.34385 23.43868 23.51622 23.52907 23.83237 23.83924 24.17258 24.17644 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 C C C C C C C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H Ni C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H -0.309027 -0.106085 -0.309081 -0.106118 0.312001 0.171529 0.146253 0.080340 0.312074 0.080221 0.146368 0.171478 -0.270651 0.062741 0.099529 -0.285534 -0.270658 -0.255530 -0.258729 -0.285522 0.062730 0.099549 -0.027467 0.115476 -0.027477 -0.255537 0.115483 -0.258726 0.154500 0.148042 0.148353 0.152456 0.152457 0.148349 0.148043 0.154501 0.458992 -0.227058 -0.251767 -0.169387 -0.136510 -0.206232 -0.340795 -0.159963 -0.142442 -0.251787 -0.227056 -0.136512 -0.169380 -0.340827 -0.206225 -0.142448 -0.159934 0.158107 0.162024 0.161018 0.192686 0.159964 0.164280 0.161317 0.167091 0.167091 0.161317 0.164280 0.159964 0.158105 0.162022 0.161018 0.192718 -0.00000 0.0003 0.6416 0.0002 0.6416 -215.1592 -220.0498 -273.7747 0.0004 3.3556 0.0039 21.1687 16.2781 -37.4468 0.0004 3.3556 0.0039 0.0042 -48.4719 -0.0007 -0.0004 -13.8878 0.0234 -0.0090 16.3159 0.0008 -48.6401 -16185.3441 -8503.9797 -3754.8523 0.0481 28.8514 -0.0010 0.0084 41.9945 0.1170 -4219.1774 -3980.9553 -2021.9628 0.0029 214.1719 -0.0042 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-VISTA AARTIGAS 2022-11-17T00:00:00.000 0 OPT 0 1 Version=ES64L-G16RevA.03 State=1-A HF=-3199.5084635 RMSD=8.725e-09 Dipole=0.0001269,-0.2524283,-0.0000885 Quadrupole=15.738412,12.1023516,-27.8407636,-0.0002919,-2.494799,0.0028886 PG=C01 [X(C44H24Ni1)] 0 1.72498 1.317726 0.221507 0 0.811214 0.402282 0.56691 0 -1.72517 1.317669 -0.221045 0 -0.811317 0.402324 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