Gaussian 09 25-Nov-2025 Gaussian 09 24-Apr-2013 ES64L-G09RevD.01 UB3LYP Gen SP #p b3lyp/gen scf=(conver=6) scrf=(smd,solvent=toluene) 5D 7F nosymm empiricaldispersion=gd3 int(acc2e=11,grid=ultrafine) 411.6773999999998 0 2 AuxInfo=1/1/N:6,17,10,12,9,13,3,14,5,8,2,4,22,23;25,26,34,30,32,28,29,27;24;1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14);(4,5)(6,7);;/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13-1,14-1;1.1,2.2,3.3,4.3,5.3,6.3,7.3,8.3;;/rA:37nCuC3C3C3C3C3HC3C3C3HC3C3C3HHC3HHHHNNBrC2C2C3C3C3C3HC3HC3HHH/rB:;;s2;s2;s3;s3;s4;s5;s5s6;s6;s8;s8s9;;s9;s10;s12s14;s12;s13;s14;s17;s1s2s3;s1s4s14;s1;s1;s25;s26;s27;s27;s28;s28;s29;s29;s30s32;s30;s32;s34;/rC:.2838,.5117,-1.9617;-.3887,-2.34,-1.7492;1.2528,-1.8649,-.1877;-1.2238,-1.842,-2.806;-.4608,-3.699,-1.3655;1.2471,-3.1969,.2702;1.9147,-1.1101,.2251;-2.1119,-2.7195,-3.4701;-1.3781,-4.5653,-2.0512;.3935,-4.1122,-.3169;1.9149,-3.4865,1.0744;-2.895,-2.1735,-4.5125;-2.1678,-4.0955,-3.0605;-1.861,-.0369,-4.1054;-1.4295,-5.6078,-1.7504;.3729,-5.1464,.0157;-2.7642,-.8357,-4.8313;-3.5909,-2.8102,-5.0519;-2.8563,-4.7595,-3.5754;-1.7465,1.0226,-4.3052;-3.3484,-.3856,-5.6265;.4537,-1.4561,-1.1646;-1.1124,-.5246,-3.121;-.8634,2.6917,-2.1823;1.9319,1.1429,-1.2459;3.0066,1.4949,-.7705;4.2667,1.8934,-.2273;5.3264,2.2841,-1.0723;4.4819,1.8988,1.1668;6.556,2.6642,-.5383;5.1691,2.287,-2.1469;5.7139,2.2818,1.6932;3.6702,1.6056,1.8266;6.7569,2.6651,.8451;7.3607,2.9636,-1.2052;5.8602,2.283,2.7705;7.7165,2.9642,1.2583;/R:/0/N:34,30,32,6,17,28,29,10,12,9,13,26,25,3,14,27,5,8,2,4,24,1,22,23/E:(2,3)(4,5)(6,7)(8,9)(10,11)(14,15)(17,18)(19,20)(23,24)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.2,13.2,14.3,15.3,16.3,17.3,18.3,19.3,20.3,22.4 g09 /aplic/Gaussian/g09d01_prebuilt/g09/l1.exe "/scratch/3479566.1.iqtc08.q/Gau-12528.inp" -scrdir="/scratch/3479566.1.iqtc08.q/" mem=6GB nprocshared=14 #p b3lyp/gen scf=(conver=6) scrf=(smd,solvent=toluene) 5D 7F nosymm em 1/38=1/1 2/12=2,15=1,17=6,18=5,40=1/2 3/5=7,8=11,11=2,16=1,25=1,30=1,70=32201,72=13,74=-5,75=-5,124=31/1,2,3 4//1 5/5=2,6=6,38=5,53=13,87=11/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Title 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 63 12 12 12 12 12 1 12 12 12 1 12 12 12 1 1 12 1 1 1 1 14 14 79 12 12 12 12 12 12 1 12 1 12 1 1 1 62.9295992 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 14.0030740 14.0030740 78.9183361 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 3 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 1 2 2 3 0 0 0 0 0 0 1 0 1 0 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 (Enter /aplic/Gaussian/g09d01_prebuilt/g09/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. NBasis= 1159 RedAO= T EigKep= 1.10D-06 NBF= 1159 NBsUse= 1149 1.00D-06 EigRej= 7.71D-07 NBFU= 1149 (5D, 7F) 7 11 15 16 18 19 20 21 31 33 35 36 37 S 3 1.00 3.4061341000e+01 5.1235746000e+00 1.1646626000e+00 6.0251978000e-03 4.5021094000e-02 2.0189726000e-01 S 1 1.00 3.2723041000e-01 1.0000000000e+00 S 1 1.00 1.0307241000e-01 1.0000000000e+00 P 1 1.00 1.4070000000e+00 1.0000000000e+00 P 1 1.00 3.8800000000e-01 1.0000000000e+00 P 1 1.00 9.5774129632e-02 1.0000000000e+00 D 1 1.00 1.0570000000e+00 1.0000000000e+00 2 3 4 5 6 8 9 10 12 13 14 17 25 26 27 28 29 30 32 34 S 6 1.00 1.3575349682e+04 2.0352333680e+03 4.6322562359e+02 1.3120019598e+02 4.2853015891e+01 1.5584185766e+01 2.2245814352e-04 1.7232738252e-03 8.9255715314e-03 3.5727984502e-02 1.1076259931e-01 2.4295627626e-01 S 2 1.00 6.2067138508e+00 2.5764896527e+00 4.1440263448e-01 2.3744968655e-01 S 1 1.00 5.7696339419e-01 1.0000000000e+00 S 1 1.00 2.2972831358e-01 1.0000000000e+00 S 1 1.00 9.5164440028e-02 1.0000000000e+00 S 1 1.00 4.8475401370e-02 1.0000000000e+00 P 4 1.00 3.4697232244e+01 7.9582622826e+00 2.3780826883e+00 8.1433208183e-01 5.3333657805e-03 3.5864109092e-02 1.4215873329e-01 3.4270471845e-01 P 1 1.00 2.8887547253e-01 4.6445822433e-01 P 1 1.00 1.0056823671e-01 2.4955789874e-01 D 1 1.00 1.0970000000e+00 1.0000000000e+00 D 1 1.00 3.1800000000e-01 1.0000000000e+00 D 1 1.00 9.0985336424e-02 1.0000000000e+00 F 1 1.00 7.6100000000e-01 1.0000000000e+00 22 23 S 6 1.00 1.9730800647e+04 2.9578958745e+03 6.7322133595e+02 1.9068249494e+02 6.2295441898e+01 2.2654161182e+01 2.1887984991e-04 1.6960708803e-03 8.7954603538e-03 3.5359382605e-02 1.1095789217e-01 2.4982972552e-01 S 2 1.00 8.9791477428e+00 3.6863002370e+00 4.0623896148e-01 2.4338217176e-01 S 1 1.00 8.4660076805e-01 1.0000000000e+00 S 1 1.00 3.3647133771e-01 1.0000000000e+00 S 1 1.00 1.3647653675e-01 1.0000000000e+00 S 1 1.00 6.8441605847e-02 1.0000000000e+00 P 4 1.00 4.9200380510e+01 1.1346790537e+01 3.4273972411e+00 1.1785525134e+00 5.5552416751e-03 3.8052379723e-02 1.4953671029e-01 3.4949305230e-01 P 1 1.00 4.1642204972e-01 4.5843153697e-01 P 1 1.00 1.4260826011e-01 2.4428771672e-01 D 1 1.00 1.6540000000e+00 1.0000000000e+00 D 1 1.00 4.6900000000e-01 1.0000000000e+00 D 1 1.00 1.2829642058e-01 1.0000000000e+00 F 1 1.00 1.0930000000e+00 1.0000000000e+00 1 S 8 1.00 3.7751879923e+05 5.6589984311e+04 1.2878711706e+04 3.6453752143e+03 1.1870072945e+03 4.2646421902e+02 1.6570660164e+02 6.5598942707e+01 2.2811766128e-04 1.7688035931e-03 9.1993460227e-03 3.7411016434e-02 1.2189873737e-01 2.8983900714e-01 4.1531872174e-01 2.1905799287e-01 S 4 1.00 4.1441265811e+02 1.2832056039e+02 2.0622089750e+01 8.7821226045e+00 -2.4682525053e-02 -1.1716827406e-01 5.5301315941e-01 5.2242718609e-01 S 2 1.00 1.3741372006e+01 2.2431246833e+00 -2.2736061821e-01 7.1761210873e-01 S 1 1.00 8.9370549079e-01 1.0000000000e+00 S 1 1.00 1.0836699534e-01 1.0000000000e+00 S 1 1.00 3.8806178058e-02 1.0000000000e+00 P 6 1.00 2.0347596692e+03 4.8190468106e+02 1.5467482963e+02 5.7740576969e+01 2.3099052811e+01 9.3882478591e+00 2.3524822298e-03 1.9134070751e-02 9.0171105278e-02 2.6063284735e-01 4.2093485770e-01 2.4344615121e-01 P 3 1.00 3.7596171210e+01 5.1240690810e+00 2.0119996085e+00 -2.8991094530e-02 5.4919083831e-01 9.3793330488e-01 P 1 1.00 7.3860686002e-01 1.0000000000e+00 P 1 1.00 2.7110000000e-01 1.0000000000e+00 P 1 1.00 9.9540000000e-02 1.0000000000e+00 P 1 1.00 3.4015997020e-02 1.0000000000e+00 D 4 1.00 7.4129460637e+01 2.1359842587e+01 7.4995240537e+00 2.7601394169e+00 1.4363216676e-02 8.6628177096e-02 2.5631430541e-01 4.0374062368e-01 D 1 1.00 9.5362061236e-01 3.9427042447e-01 D 1 1.00 2.8420862520e-01 2.3091146816e-01 D 1 1.00 8.5000000000e-02 1.0000000000e+00 F 1 1.00 4.9360000000e+00 1.0000000000e+00 F 1 1.00 1.2090000000e+00 1.0000000000e+00 G 1 1.00 3.2450000000e+00 1.0000000000e+00 24 S 8 1.00 5.6507325256e+05 8.4701723179e+04 1.9276271900e+04 5.4564284576e+03 1.7769503500e+03 6.3919398276e+02 2.4878823961e+02 9.8678305494e+01 2.3660314690e-04 1.8348332508e-03 9.5465849860e-03 3.8877142153e-02 1.2718314231e-01 3.0437662191e-01 4.4490940497e-01 2.4381643058e-01 S 4 1.00 6.0607824568e+02 1.8845598484e+02 3.1497144506e+01 1.3736008320e+01 -2.6527158709e-02 -1.2484584809e-01 5.6468683559e-01 5.5555268564e-01 S 2 1.00 2.1203212766e+01 3.7616420178e+00 -2.4940920493e-01 7.1213119743e-01 S 1 1.00 1.7735933962e+00 1.0000000000e+00 S 1 1.00 4.5197413664e-01 1.0000000000e+00 S 1 1.00 1.6613377099e-01 1.0000000000e+00 S 1 1.00 5.2769579657e-02 1.0000000000e+00 P 6 1.00 3.0196955723e+03 7.1535481126e+02 2.2998328751e+02 8.6167844615e+01 3.4667870802e+01 1.4113870307e+01 2.4971049798e-03 2.0419267596e-02 9.6897148309e-02 2.8053901252e-01 4.4606390473e-01 2.4410073923e-01 P 4 1.00 5.7085653082e+01 8.8193845840e+00 3.9340302872e+00 1.7998830384e+00 -2.1855950710e-02 3.2707075320e-01 5.7855229520e-01 3.3570987698e-01 P 1 1.00 6.6899410512e-01 1.0000000000e+00 P 1 1.00 2.7136238231e-01 1.0000000000e+00 P 1 1.00 1.0083790243e-01 1.0000000000e+00 P 1 1.00 2.9005224647e-02 1.0000000000e+00 D 5 1.00 1.6885370257e+02 4.9977949919e+01 1.8274913338e+01 7.2455694631e+00 2.8562315025e+00 8.9663981988e-03 6.2062059316e-02 2.1474732384e-01 4.0335336746e-01 4.2208813080e-01 D 1 1.00 1.0459621144e+00 1.7874813267e-01 D 1 1.00 5.6865655000e-01 1.0000000000e+00 D 1 1.00 2.2031490000e-01 1.0000000000e+00 D 1 1.00 7.5865567476e-02 1.0000000000e+00 F 1 1.00 5.7083312000e-01 1.0000000000e+00 0.10000e-02 0.10000e-05 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 37 37 37 1.00e+00 60 F Grimme-D3 -0.0376185606 PCM (using non-symmetric T matrix) SMD-Coulomb. Total charges None On-the-fly selection Toluene 2.374100 2.238315 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 0 411.6773999999998 AuxInfo=1/1/N:6,17,10,12,9,13,3,14,5,8,2,4,22,23;25,26,34,30,32,28,29,27;24;1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14);(4,5)(6,7);;/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13-1,14-1;1.1,2.2,3.3,4.3,5.3,6.3,7.3,8.3;;/rA:37nCuC3C3C3C3C3HC3C3C3HC3C3C3HHC3HHHHNNBrC2C2C3C3C3C3HC3HC3HHH/rB:;;s2;s2;s3;s3;s4;s5;s5s6;s6;s8;s8s9;;s9;s10;s12s14;s12;s13;s14;s17;s1s2s3;s1s4s14;s1;s1;s25;s26;s27;s27;s28;s28;s29;s29;s30s32;s30;s32;s34;/rC:.2838,.5117,-1.9617;-.3887,-2.34,-1.7492;1.2528,-1.8649,-.1877;-1.2238,-1.842,-2.806;-.4608,-3.699,-1.3655;1.2471,-3.1969,.2702;1.9147,-1.1101,.2251;-2.1119,-2.7195,-3.4701;-1.3781,-4.5653,-2.0512;.3935,-4.1122,-.3169;1.9149,-3.4865,1.0744;-2.895,-2.1735,-4.5125;-2.1678,-4.0955,-3.0605;-1.861,-.0369,-4.1054;-1.4295,-5.6078,-1.7504;.3729,-5.1464,.0157;-2.7642,-.8357,-4.8313;-3.5909,-2.8102,-5.0519;-2.8562,-4.7595,-3.5754;-1.7465,1.0226,-4.3052;-3.3484,-.3856,-5.6265;.4538,-1.4561,-1.1646;-1.1124,-.5246,-3.121;-.8634,2.6917,-2.1823;1.9319,1.1429,-1.2459;3.0066,1.4949,-.7705;4.2667,1.8934,-.2273;5.3264,2.2841,-1.0723;4.4819,1.8988,1.1668;6.556,2.6642,-.5383;5.1691,2.287,-2.1469;5.7139,2.2819,1.6932;3.6702,1.6055,1.8266;6.7569,2.6651,.8451;7.3607,2.9636,-1.2052;5.8602,2.283,2.7705;7.7165,2.9642,1.2583;/R:/0/N:34,30,32,6,17,28,29,10,12,9,13,26,25,3,14,27,5,8,2,4,24,1,22,23/E:(2,3)(4,5)(6,7)(8,9)(10,11)(14,15)(17,18)(19,20)(23,24)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.2,13.2,14.3,15.3,16.3,17.3,18.3,19.3,20.3,22.4 0.000000 2.937596 0.000000 3.119972 2.314833 0.000000 2.919838 1.436111 3.604148 0.000000 4.317326 1.413908 2.772659 2.470939 0.000000 4.434304 2.736418 1.408538 4.171870 2.417583 0.000000 3.173654 3.273515 1.085444 4.424199 3.856855 2.191462 0.000000 4.295881 2.464754 4.777622 1.414070 2.848633 5.049827 5.697171 0.000000 5.342788 2.453988 4.205547 2.830169 1.436008 3.762085 5.287955 2.441057 0.000000 4.908905 2.409104 2.409426 3.737007 1.414302 1.382394 3.408837 4.261386 2.520290 0.000000 5.278590 3.820126 2.158863 5.254854 3.412102 1.084666 2.523570 6.120114 4.666618 2.154493 0.000000 4.880692 3.734347 6.000292 2.411385 4.260960 6.409273 6.834368 1.413487 3.752278 5.672384 7.488155 0.000000 5.333228 2.822507 4.992920 2.456418 2.438043 4.854160 6.031124 1.436759 1.364939 3.753422 5.842690 2.516156 0.000000 3.081583 3.608859 5.327816 2.313610 4.783118 6.228312 5.844689 2.768180 4.995934 6.003620 7.279217 2.408336 4.202151 0.000000 6.358272 3.429520 4.862734 3.916337 2.174875 4.130322 5.942683 3.430062 1.086232 2.759582 4.864645 4.644468 2.132731 6.063582 0.000000 5.994301 3.401538 3.403497 4.629316 2.167457 2.151620 4.325806 4.920864 2.770529 1.086573 2.500802 6.326280 4.125864 6.934019 2.565297 0.000000 4.397763 4.172007 6.225664 2.736273 5.051284 6.905901 6.894532 2.413891 4.853850 6.409862 7.987360 1.381428 3.757296 1.407479 5.834876 7.205327 0.000000 5.966323 4.624184 6.929309 3.403571 4.916951 7.202803 7.813328 2.167416 4.120755 6.323814 8.264519 1.086560 2.764507 3.402925 4.837095 6.844674 2.151891 0.000000 6.344239 3.908733 6.061363 3.430568 3.427333 5.836812 7.108038 2.174180 2.132106 4.647384 6.782746 2.750853 1.086310 4.855401 2.466941 4.844926 4.120909 2.553306 0.000000 3.142457 4.436686 5.855547 3.275161 5.708582 6.906550 6.202922 3.851481 6.036614 6.844865 7.916918 3.402497 5.284063 1.084209 7.112618 7.824221 2.183097 4.318535 5.932715 0.000000 5.237256 5.254902 7.276049 3.819749 6.121537 7.987136 7.903597 3.409743 5.842537 7.488800 9.067567 2.154848 4.662800 2.155927 6.780715 8.267318 1.084593 2.503595 4.856013 2.508984 0.000000 2.129878 1.353759 1.326656 2.378511 2.430472 2.391356 2.045821 3.673380 3.716013 2.788717 3.357159 4.789254 4.175304 4.002524 4.596323 3.875285 4.917796 5.770905 5.261241 4.565996 5.959131 0.000000 2.089760 2.387806 3.999395 1.359143 3.685534 4.920286 4.550009 2.436877 4.188382 4.796024 5.961454 2.798711 3.724092 1.329348 5.274292 5.779822 2.397997 3.885262 4.602433 2.048924 3.361061 2.673590 0.000000 2.473326 5.072619 5.405545 4.590607 6.455250 6.719031 5.288428 5.700693 7.276436 7.166084 7.516344 5.764307 6.966967 3.484012 8.330001 8.233838 4.803424 6.778245 7.837941 2.841160 5.244748 4.469363 3.359689 0.000000 1.904474 4.215356 3.260077 4.615415 5.402168 4.647799 2.690798 6.018057 6.647437 5.553917 5.178379 6.705800 6.895002 4.894282 7.558156 6.601347 6.230831 7.785466 7.949332 4.785811 7.029043 2.991078 3.945143 3.330009 0.000000 3.130387 5.214632 3.834568 5.759728 6.273242 5.117861 2.994950 7.158729 7.588940 6.202719 5.423090 7.892280 7.954302 6.095947 8.431353 7.187602 7.431276 8.966084 9.019898 5.942110 8.216015 3.921856 5.154531 4.289768 1.226747 0.000000 4.558651 6.473871 4.817706 7.123845 7.410821 5.939479 3.841606 8.513588 8.769605 7.146837 6.014047 9.284015 9.235655 7.504278 9.541242 8.048600 8.836251 10.350985 10.305763 7.317549 9.609159 5.161091 6.569280 5.547750 2.655642 1.428945 0.000000 5.418538 7.382587 5.881389 7.933178 8.329159 6.963091 4.984331 9.279699 9.634445 8.112732 7.038887 9.964734 10.040654 8.139076 10.410748 8.996258 9.450993 11.013931 11.083040 7.878381 10.154813 6.143321 7.317381 6.301738 3.585435 2.468901 1.410548 0.000000 5.416262 7.084719 5.140754 7.895074 7.885339 6.102012 4.065845 9.290174 9.299478 7.419474 5.966534 10.161525 9.900528 8.471988 9.990212 8.236759 9.795972 11.225717 10.985035 8.336863 10.615153 5.737351 7.453480 6.357474 3.590988 2.468384 1.410594 2.423896 0.000000 6.782340 8.645050 6.982802 9.272181 9.508419 7.949286 6.030755 10.616548 10.839942 9.162145 7.872196 11.336585 11.320745 9.532303 11.561281 9.977115 10.841834 12.381451 12.366327 9.263671 11.545041 7.389639 8.697299 7.599399 4.919112 3.744271 2.435507 1.393385 2.792002 0.000000 5.201248 7.242739 6.034469 7.638905 8.254665 7.162334 5.268632 8.934713 9.477871 8.191824 7.368881 9.514321 9.767388 7.658882 10.296974 9.106950 8.938438 10.543185 10.775048 7.354120 9.581182 6.100089 6.950680 6.046177 3.549762 2.683015 2.157380 1.086044 3.406418 2.157108 0.000000 6.780727 8.393648 6.374541 9.240195 9.124336 7.210711 5.300457 10.626192 10.545189 8.557509 6.934620 11.509737 11.197757 9.817271 11.186314 9.301579 11.143032 12.569985 12.279555 9.655271 11.950710 7.057547 8.812001 7.645176 4.923360 3.744187 2.435889 2.792571 1.393436 2.415646 3.878599 0.000000 5.197599 6.695337 4.684534 7.569507 7.442606 5.599748 3.608489 8.955016 8.865756 6.929882 5.438327 9.877548 9.511419 8.275183 9.530677 7.729173 9.575387 10.933184 10.596693 8.202333 10.429451 5.354090 7.203381 6.148509 3.560295 2.682795 2.158002 3.406908 1.086369 3.878353 4.301137 2.156848 0.000000 7.376738 9.101678 7.202949 9.865890 9.873385 8.065476 6.171186 11.236960 11.262569 9.368817 7.831956 12.052969 11.857879 10.299260 11.924542 10.122394 11.624466 13.108369 12.925889 10.076229 12.381639 7.794418 9.371743 8.199647 5.474488 4.247850 2.818918 2.422355 2.422031 1.397931 3.408197 1.397887 3.407899 0.000000 7.527746 9.406218 7.852127 9.967425 10.275778 8.803698 6.949804 11.276362 11.565738 9.969835 8.743945 11.937608 12.002696 10.121890 12.289562 10.774571 11.406009 12.964201 13.024988 9.814193 12.060248 8.200086 9.361150 8.286388 5.726150 4.615662 3.416773 2.148891 3.879141 1.087145 2.479400 3.402622 4.965484 2.158104 0.000000 7.525168 8.991589 6.869087 9.914481 9.635689 7.586965 5.793067 11.292667 11.069862 8.961892 7.192306 12.229319 11.795559 10.596051 11.655206 9.638251 11.911963 13.283597 12.878095 10.465003 12.744823 7.661351 9.550393 8.360908 5.732658 4.615546 3.417269 3.879725 2.149247 3.402642 4.965744 1.087162 2.479186 2.158075 4.303611 0.000000 8.463386 10.142675 8.196986 10.933778 10.869742 8.988285 7.164404 12.298747 12.262073 10.304517 8.677772 13.126383 12.891512 11.379965 12.891132 11.011559 12.703087 14.178134 13.957237 11.147689 13.455646 8.840679 10.454657 9.248080 6.561277 5.334645 3.905713 3.406905 3.406778 2.159811 4.306183 2.159916 4.306015 1.086795 2.489103 2.489287 0.000000 0.2657429 0.1077435 0.0817995 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= 1269 1269 1269 1269 1269 MxSgAt= 37 MxSgA2= 37. 1 open 1 1 1 -5081.45423729549 -5085.30434198458 -3.850104689087 -5083.80020928060 1.504132703973 -5052.47688247884 31.323326801763 -5092.32892350461 -39.852041025773 -5088.67316722616 3.655756278455 -5093.82386794953 -5.150700723372 -5094.46823680805 -0.644368858517 -5094.62374988084 -0.155513072796 -5094.63342265072 -0.009672769878 -5094.64424895882 -0.010826308102 -5094.64573107515 -0.001482116328 -5094.64624879157 -0.000517716418 -5094.64635487366 -0.000106082092 -5094.64639605297 -0.000041179310 -5094.64642541771 -0.000029364734 -5094.64643574797 -0.000010330263 -5094.64643717438 -0.000001426406 -5094.64643747002 -0.000000295649 -5094.64643756068 -0.000000090651 -5094.64643758400 -0.000000023319 -5094.64643759560 -0.000000011600 -5094.64643760311 -0.000000007520 -5094.64643760459 -0.000000001472 -5094.64643760480 -0.000000000209 -5094.64643760520 -0.000000000402 -5094.64643760553 -0.000000000335 -5094.64643761 27 0.7543 5.083174621687e+03 -1.760704091254e+04 4.685238681702e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 5335936 IEndB= 5335936 NGot= 805306368 MDV= 801751985 LenX= 801751985 LenY= 799987073 Requested convergence on RMS density matrix=1.00D-06 within 128 cycles. Requested convergence on MAX density matrix=1.00D-04. Requested convergence on energy=1.00D-04. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 0.7543 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 Cu C C C C C H C C C H C C C H H C H H H H N N Br C C C C C C H C H C H H H 63 13 13 13 13 13 1 13 13 13 1 13 13 13 1 1 13 1 1 1 1 14 14 79 13 13 13 13 13 13 1 13 1 13 1 1 1 0.13529 -0.00277 -0.00229 -0.00233 0.00206 0.00285 0.00081 0.00057 0.00034 -0.00022 0.00029 -0.00002 0.00018 -0.00065 0.00017 0.00004 0.00195 0.00000 0.00009 0.00067 0.00015 0.11930 0.06327 0.06798 0.16624 0.04341 0.00327 -0.00151 -0.00096 0.00005 0.00006 0.00025 0.00006 -0.00022 -0.00003 -0.00001 0.00004 160.47239 -3.11675 -2.57090 -2.61598 2.31540 3.20542 3.59921 0.63782 0.38262 -0.25234 1.28703 -0.02254 0.20678 -0.73011 0.77380 0.17817 2.18817 0.00899 0.38621 2.98671 0.68136 38.54737 20.44155 76.39427 186.88451 48.80639 3.67842 -1.69268 -1.07647 0.05333 0.24655 0.27575 0.26504 -0.24839 -0.13076 -0.03115 0.19426 57.26054 -1.11213 -0.91736 -0.93345 0.82619 1.14377 1.28429 0.22759 0.13653 -0.09004 0.45924 -0.00804 0.07378 -0.26052 0.27611 0.06357 0.78079 0.00321 0.13781 1.06573 0.24313 13.75466 7.29405 27.25938 66.68504 17.41533 1.31255 -0.60399 -0.38411 0.01903 0.08798 0.09840 0.09457 -0.08863 -0.04666 -0.01111 0.06932 53.52783 -1.03964 -0.85756 -0.87260 0.77233 1.06921 1.20057 0.21275 0.12763 -0.08417 0.42931 -0.00752 0.06897 -0.24354 0.25811 0.05943 0.72990 0.00300 0.12883 0.99626 0.22728 12.85802 6.81857 25.48239 62.33796 16.28006 1.22699 -0.56462 -0.35907 0.01779 0.08224 0.09198 0.08841 -0.08285 -0.04362 -0.01039 0.06480 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 0.679865 -0.006327 -0.000153 -0.005170 -0.003764 -0.002988 -0.001050 0.000342 -0.000901 -0.002143 -0.000654 0.000346 -0.000479 0.004953 -0.000482 -0.000592 -0.000027 0.000204 -0.000145 -0.000242 0.000247 -0.090979 0.017697 0.534418 0.085394 0.017901 0.003145 0.002384 0.002287 0.000161 0.002014 -0.000045 0.000105 0.001595 0.000582 0.000145 0.000222 1.053936 0.009010 0.003356 0.006887 0.007542 0.003660 -0.000671 0.001566 0.001889 0.003997 0.000527 0.000442 0.001270 -0.003222 0.001043 0.001064 -0.000838 0.000015 0.000567 -0.002283 -0.000725 0.161760 0.001150 0.564563 -0.046239 -0.009692 0.000410 -0.003305 -0.004003 0.000981 -0.000655 0.000817 -0.000865 -0.003001 -0.000199 -0.000276 -0.000229 -1.733802 -0.002683 -0.003203 -0.001717 -0.003778 -0.000672 0.001720 -0.001907 -0.000988 -0.001854 0.000127 -0.000789 -0.000791 -0.001731 -0.000560 -0.000473 0.000866 -0.000219 -0.000422 0.002526 0.000478 -0.070781 -0.018847 -1.098982 -0.039154 -0.008209 -0.003555 0.000921 0.001716 -0.001142 -0.001359 -0.000773 0.000760 0.001407 -0.000383 0.000131 0.000006 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 0.513293 0.008260 -0.005108 0.006947 0.000627 -0.000559 -0.002563 0.003679 0.001527 0.000869 -0.000737 0.001207 0.001126 -0.000095 0.000459 -0.000023 0.002098 0.000686 0.000723 -0.001267 0.000314 0.000428 0.063593 -1.668481 0.029210 0.028114 0.001319 0.002086 0.001356 -0.000283 0.001037 -0.000395 0.000384 0.001712 0.000284 0.000117 0.000138 2.202771 0.009055 0.011586 0.002997 -0.000712 -0.000982 0.004760 0.001953 0.000929 0.002808 0.000847 0.001978 -0.000285 0.009493 0.000033 0.000195 0.003534 0.000690 0.000275 0.005547 0.001510 -0.012932 0.046781 0.144137 0.054229 0.034815 0.004066 0.000704 0.001756 0.000100 -0.000288 0.000718 0.001706 0.000400 0.000023 0.000507 0.000119 -0.106510 0.004945 -0.008207 -0.004447 -0.001000 -0.004597 -0.004733 0.001661 0.000701 -0.002223 -0.001413 0.001040 0.000107 -0.000541 -0.000083 -0.000526 0.002719 0.000501 0.000400 -0.000437 0.000320 -0.074026 0.048969 -0.152627 0.009106 0.028870 0.001688 0.000026 -0.001120 0.000147 -0.000107 0.000280 0.000427 -0.000070 0.000006 0.000150 0.000012 -0.5134 0.086 0.8538 -0.2562 0.9342 -0.2481 0.819 0.3461 0.4576 -3.0692 0.9415 2.1277 -434.536 133.296 301.24 -155.053 47.563 107.49 -144.946 44.463 100.483 1 Cu 63 0.8109 -0.1685 -0.5604 0.3704 -0.5936 0.7145 0.453 0.787 0.4189 -0.0143 -0.0021 0.0164 -1.919 -0.281 2.2 -0.685 -0.1 0.785 -0.64 -0.094 0.734 2 C 13 -0.5861 0.1995 0.7853 0.5702 0.7902 0.2248 -0.5757 0.5795 -0.5769 -0.0139 -0.0027 0.0166 -1.87 -0.358 2.228 -0.667 -0.128 0.795 -0.624 -0.119 0.743 3 C 13 0.7769 -0.4234 -0.466 0.5232 0.0224 0.8519 0.3503 0.9057 -0.2389 -0.0108 0.0 0.0107 -1.443 0.001 1.442 -0.515 0.0 0.515 -0.481 0.0 0.481 4 C 13 0.6895 0.0242 0.7238 0.7217 -0.106 -0.684 0.0601 0.9941 -0.0906 -0.0045 -0.0032 0.0077 -0.602 -0.427 1.029 -0.215 -0.152 0.367 -0.201 -0.142 0.343 5 C 13 0.6096 0.4221 0.671 0.7927 -0.3307 -0.5122 0.0057 0.8441 -0.5361 -0.0045 -0.0021 0.0066 -0.598 -0.284 0.882 -0.213 -0.102 0.315 -0.199 -0.095 0.294 6 C 13 -0.5639 0.4333 0.7031 0.6629 0.7452 0.0725 0.4925 -0.5069 0.7074 -0.005 -0.0034 0.0084 -2.675 -1.82 4.495 -0.955 -0.649 1.604 -0.892 -0.607 1.499 7 H 1 0.6826 -0.2962 -0.6681 0.38 -0.637 0.6707 0.6242 0.7117 0.3222 -0.0032 -0.0024 0.0055 -0.425 -0.319 0.744 -0.152 -0.114 0.265 -0.142 -0.106 0.248 8 C 13 0.7847 -0.2031 -0.5856 0.4559 -0.451 0.7673 0.42 0.8691 0.2613 -0.002 -8.0E-4 0.0028 -0.267 -0.114 0.381 -0.095 -0.041 0.136 -0.089 -0.038 0.127 9 C 13 -0.679 0.2297 0.6973 0.734 0.2288 0.6394 -0.0127 0.946 -0.324 -0.0053 6.0E-4 0.0047 -0.714 0.077 0.637 -0.255 0.027 0.227 -0.238 0.026 0.212 10 C 13 -0.6498 0.2904 0.7024 0.6667 0.6615 0.3434 -0.3649 0.6915 -0.6235 -0.0012 -9.0E-4 0.0022 -0.662 -0.506 1.169 -0.236 -0.181 0.417 -0.221 -0.169 0.39 11 H 1 -0.5857 -0.0494 0.809 -0.468 0.8356 -0.2878 0.6618 0.5472 0.5125 -0.0023 -6.0E-4 0.0029 -0.307 -0.079 0.386 -0.109 -0.028 0.138 -0.102 -0.027 0.129 12 C 13 0.7448 -0.3587 0.5627 -0.5009 0.2566 0.8266 0.4408 0.8975 -0.0114 -0.0012 -6.0E-4 0.0018 -0.166 -0.078 0.244 -0.059 -0.028 0.087 -0.055 -0.026 0.082 13 C 13 -0.5752 0.0733 0.8147 0.0637 0.997 -0.0447 0.8155 -0.0262 0.5781 -0.0085 -0.0032 0.0117 -1.138 -0.43 1.568 -0.406 -0.153 0.56 -0.38 -0.143 0.523 14 C 13 0.7998 -0.2447 -0.548 0.5378 -0.1131 0.8354 0.2664 0.963 -0.0412 -6.0E-4 -5.0E-4 0.0012 -0.344 -0.282 0.626 -0.123 -0.101 0.223 -0.115 -0.094 0.209 15 H 1 -0.6664 0.1953 0.7195 0.7443 0.2309 0.6267 -0.0438 0.9532 -0.2992 -8.0E-4 -4.0E-4 0.0012 -0.424 -0.232 0.657 -0.151 -0.083 0.234 -0.142 -0.077 0.219 16 H 1 -0.6202 -0.2879 0.7297 -0.5303 0.8393 -0.1196 0.578 0.4611 0.6733 -0.0032 -0.0026 0.0058 -0.431 -0.342 0.773 -0.154 -0.122 0.276 -0.144 -0.114 0.258 17 C 13 -0.6051 0.0225 0.7959 -0.4318 0.8305 -0.3519 0.6689 0.5566 0.4928 -7.0E-4 -6.0E-4 0.0013 -0.389 -0.295 0.685 -0.139 -0.105 0.244 -0.13 -0.099 0.228 18 H 1 0.8095 -0.3338 -0.483 0.2936 -0.4823 0.8254 0.5085 0.8099 0.2923 -6.0E-4 -6.0E-4 0.0012 -0.324 -0.298 0.622 -0.116 -0.106 0.222 -0.108 -0.099 0.207 19 H 1 0.7711 0.29 -0.5669 -0.157 0.9494 0.2721 0.6171 -0.1209 0.7776 -0.0048 -0.0022 0.007 -2.559 -1.173 3.733 -0.913 -0.419 1.332 -0.854 -0.391 1.245 20 H 1 0.7367 -0.0355 -0.6753 -0.0859 0.9856 -0.1455 0.6708 0.1652 0.723 -0.0012 -8.0E-4 0.002 -0.615 -0.427 1.042 -0.219 -0.152 0.372 -0.205 -0.142 0.347 21 H 1 0.688 0.1937 0.6994 0.7256 -0.2031 -0.6575 0.0147 0.9598 -0.2803 -0.104 -0.0794 0.1834 -4.011 -3.061 7.073 -1.431 -1.092 2.524 -1.338 -1.021 2.359 22 N 14 -0.2381 0.7469 -0.6208 0.7188 -0.2944 -0.6299 0.6532 0.5962 0.4668 -0.0598 -0.0493 0.1092 -2.307 -1.903 4.21 -0.823 -0.679 1.502 -0.77 -0.635 1.404 23 N 14 0.607 0.6429 0.4672 -0.3717 -0.29 0.8819 -0.7024 0.709 -0.0629 -1.1217 -1.1095 2.2313 -150.466 -148.83 299.296 -53.69 -53.106 106.796 -50.19 -49.644 99.834 24 Br 79 -0.3789 0.2105 0.9012 -0.0992 0.9589 -0.2657 0.9201 0.19 0.3424 -0.0598 -0.0518 0.1116 -8.028 -6.949 14.977 -2.865 -2.479 5.344 -2.678 -2.318 4.996 25 C 13 -0.1797 -0.6021 0.7779 0.6917 -0.6396 -0.3352 0.6994 0.4779 0.5315 -0.0386 -0.025 0.0636 -5.18 -3.35 8.53 -1.848 -1.195 3.044 -1.728 -1.118 2.845 26 C 13 -0.3936 -0.1666 0.9041 -0.3798 0.9251 0.0051 0.8372 0.3413 0.4274 -0.0056 -1.0E-4 0.0058 -0.756 -0.016 0.773 -0.27 -0.006 0.276 -0.252 -0.005 0.258 27 C 13 -0.3145 0.9484 0.04 -0.2522 -0.1241 0.9597 0.9152 0.2917 0.2782 -0.004 7.0E-4 0.0033 -0.536 0.098 0.438 -0.191 0.035 0.156 -0.179 0.033 0.146 28 C 13 -0.2437 0.9413 0.2335 -0.5834 -0.3346 0.7401 0.7748 0.0442 0.6307 -0.0046 8.0E-4 0.0038 -0.622 0.113 0.509 -0.222 0.04 0.182 -0.207 0.038 0.17 29 C 13 -0.0918 -0.0803 0.9925 0.9526 0.2833 0.1111 -0.2901 0.9557 0.0504 -0.0012 1.0E-4 0.0011 -0.156 0.012 0.144 -0.056 0.004 0.051 -0.052 0.004 0.048 30 C 13 0.0708 0.0449 0.9965 -0.326 0.9452 -0.0194 0.9427 0.3235 -0.0815 -0.0014 -0.001 0.0024 -0.739 -0.539 1.278 -0.264 -0.192 0.456 -0.246 -0.18 0.426 31 H 1 -0.5316 -0.2068 0.8214 0.7658 0.2971 0.5704 -0.362 0.9322 4.0E-4 -0.0013 3.0E-4 0.001 -0.175 0.045 0.13 -0.063 0.016 0.046 -0.059 0.015 0.043 32 C 13 0.7763 -0.0705 -0.6264 -0.0592 0.9812 -0.1838 0.6276 0.1798 0.7575 -0.0013 -0.001 0.0023 -0.697 -0.516 1.214 -0.249 -0.184 0.433 -0.233 -0.172 0.405 33 H 1 -0.3168 0.9477 0.0387 -0.3414 -0.1519 0.9276 0.8849 0.2806 0.3716 -0.0036 0.0013 0.0023 -0.48 0.171 0.309 -0.171 0.061 0.11 -0.16 0.057 0.103 34 C 13 -0.0254 0.0044 0.9997 -0.3094 0.9509 -0.012 0.9506 0.3096 0.0228 -4.0E-4 -3.0E-4 7.0E-4 -0.205 -0.155 0.36 -0.073 -0.055 0.129 -0.068 -0.052 0.12 35 H 1 -0.6112 -0.3484 0.7107 -0.3783 0.9173 0.1243 0.6952 0.1929 0.6924 -4.0E-4 -3.0E-4 7.0E-4 -0.202 -0.162 0.364 -0.072 -0.058 0.13 -0.067 -0.054 0.121 36 H 1 PT107390.800S Tue Nov 25 12:16:47 2025 -56.23967 -38.89195 -34.10306 -34.09769 -34.08021 -14.37253 -14.36926 -10.25088 -10.24964 -10.24232 -10.24184 -10.22647 -10.22629 -10.22370 -10.22327 -10.21262 -10.21190 -10.21156 -10.21136 -10.18964 -10.17011 -10.16964 -10.16924 -10.16849 -10.16836 -10.13636 -10.13097 -8.61634 -6.44235 -6.43695 -6.43640 -4.38083 -2.89156 -2.88042 -2.84632 -2.55721 -2.55591 -2.55549 -2.55139 -2.55138 -1.00375 -0.97650 -0.88246 -0.85068 -0.84060 -0.83532 -0.78016 -0.77848 -0.76350 -0.73890 -0.69496 -0.68983 -0.68914 -0.67794 -0.67067 -0.63655 -0.60577 -0.59739 -0.58709 -0.57173 -0.54803 -0.52685 -0.51643 -0.51408 -0.50157 -0.47281 -0.47036 -0.46644 -0.45952 -0.45386 -0.44895 -0.44727 -0.43560 -0.42903 -0.42744 -0.41606 -0.41360 -0.39897 -0.39049 -0.37819 -0.37334 -0.37168 -0.36400 -0.35508 -0.35049 -0.34789 -0.33933 -0.33401 -0.33081 -0.32860 -0.31878 -0.29862 -0.28757 -0.27830 -0.26697 -0.25108 -0.24562 -0.23440 -0.23303 -0.22561 -0.20770 -0.09791 -0.08995 -0.04861 -0.02424 -0.02167 -0.00811 -0.00677 0.00532 0.00882 0.01749 0.01992 0.02382 0.02430 0.02670 0.03310 0.04067 0.04614 0.05010 0.05347 0.05729 0.06103 0.06311 0.06511 0.07127 0.07511 0.07590 0.07775 0.08268 0.09061 0.09654 0.09719 0.10024 0.10226 0.11123 0.11233 0.11490 0.11917 0.12067 0.12554 0.12827 0.13268 0.13763 0.13810 0.14033 0.14446 0.14571 0.14820 0.15024 0.15272 0.15674 0.15940 0.16414 0.16635 0.16912 0.17094 0.17799 0.17959 0.18387 0.18487 0.18725 0.19111 0.19214 0.19388 0.19896 0.20248 0.20291 0.20407 0.20756 0.20997 0.21145 0.21391 0.21479 0.21740 0.21926 0.21964 0.22230 0.22409 0.22640 0.22699 0.23046 0.23135 0.23405 0.23651 0.23945 0.23998 0.24475 0.24731 0.24869 0.25052 0.25249 0.25703 0.25779 0.25874 0.26267 0.26542 0.26716 0.26848 0.27044 0.27302 0.27406 0.27865 0.28424 0.28541 0.28779 0.29103 0.29294 0.29536 0.29743 0.29924 0.30006 0.30211 0.30683 0.30871 0.31141 0.31266 0.31508 0.31714 0.32049 0.32196 0.32332 0.32652 0.32960 0.33149 0.33432 0.33614 0.33919 0.34257 0.34390 0.34682 0.35044 0.35132 0.35256 0.35532 0.35802 0.36108 0.36247 0.36512 0.36820 0.37035 0.37083 0.37479 0.37560 0.37651 0.37795 0.38065 0.38162 0.38470 0.38922 0.39066 0.39393 0.39537 0.39893 0.39961 0.40445 0.40851 0.41017 0.41524 0.41739 0.42100 0.42606 0.42640 0.43066 0.43344 0.43687 0.43866 0.44298 0.44522 0.44822 0.45197 0.45495 0.45740 0.45810 0.46045 0.46463 0.46664 0.47070 0.47485 0.47951 0.48111 0.48378 0.48552 0.48860 0.49026 0.49599 0.49904 0.50028 0.50344 0.50922 0.51224 0.51667 0.51784 0.51938 0.52036 0.52426 0.53121 0.53330 0.53531 0.53816 0.54098 0.54499 0.54612 0.54688 0.54954 0.55204 0.55314 0.55870 0.56199 0.56600 0.56849 0.57176 0.57681 0.57953 0.58181 0.58204 0.58334 0.58506 0.59029 0.59152 0.59442 0.59740 0.60304 0.60456 0.60627 0.60861 0.61226 0.61428 0.61569 0.61783 0.62261 0.62477 0.62764 0.62947 0.63420 0.63639 0.63873 0.64390 0.64678 0.64928 0.65177 0.65320 0.65544 0.65733 0.65936 0.66153 0.66309 0.66554 0.66668 0.66825 0.67120 0.67574 0.67634 0.68083 0.68245 0.68467 0.68904 0.68935 0.69267 0.69340 0.69489 0.69834 0.70221 0.70431 0.70604 0.70804 0.71084 0.71309 0.71549 0.71846 0.72023 0.72192 0.72503 0.72599 0.73123 0.73424 0.73452 0.73835 0.74346 0.74450 0.74760 0.75007 0.75355 0.75544 0.75782 0.76082 0.76563 0.76581 0.76852 0.77183 0.77270 0.77664 0.77978 0.78574 0.78837 0.78950 0.79192 0.80068 0.80180 0.80827 0.81047 0.81313 0.81804 0.82336 0.82577 0.82739 0.83407 0.83739 0.83943 0.84217 0.84638 0.84914 0.85415 0.85599 0.86373 0.86853 0.87078 0.87380 0.87723 0.88359 0.89330 0.89572 0.89689 0.90119 0.90695 0.91171 0.91788 0.91993 0.92294 0.92658 0.92957 0.93337 0.93826 0.94409 0.94630 0.94946 0.95181 0.95705 0.96091 0.96459 0.96649 0.97689 0.97943 0.98087 0.98143 0.98744 0.99008 0.99876 1.00137 1.00957 1.01155 1.01742 1.01939 1.02487 1.03110 1.03528 1.03989 1.04278 1.05113 1.05703 1.06495 1.06539 1.07671 1.08306 1.08615 1.08964 1.10106 1.10680 1.11186 1.11477 1.11814 1.12258 1.12686 1.13110 1.14301 1.14367 1.15339 1.16031 1.16497 1.17149 1.17339 1.18035 1.18304 1.18688 1.19102 1.20109 1.20312 1.21163 1.21306 1.22363 1.23351 1.24177 1.24586 1.25169 1.25904 1.26272 1.26834 1.26903 1.28217 1.28265 1.28784 1.29260 1.30031 1.30256 1.31246 1.32030 1.32699 1.33374 1.33617 1.33740 1.34250 1.34799 1.35624 1.36142 1.36695 1.37313 1.37712 1.37942 1.38317 1.38591 1.38980 1.40146 1.41357 1.42131 1.42245 1.42526 1.42957 1.43461 1.44271 1.45002 1.45390 1.45721 1.46421 1.46851 1.47388 1.47943 1.48693 1.48797 1.50504 1.50645 1.51114 1.51982 1.52385 1.52855 1.53294 1.53670 1.54203 1.55435 1.56419 1.56920 1.57298 1.57445 1.58178 1.58803 1.59700 1.60158 1.60716 1.60995 1.61125 1.62333 1.62648 1.62856 1.63406 1.63911 1.64307 1.65537 1.66536 1.66886 1.66979 1.67977 1.68050 1.68526 1.68823 1.69924 1.70216 1.71255 1.72100 1.72457 1.72951 1.73787 1.73875 1.74208 1.74795 1.75695 1.75860 1.76597 1.76630 1.77259 1.77837 1.77995 1.78294 1.79041 1.79713 1.80280 1.80904 1.81166 1.81323 1.81894 1.82603 1.82891 1.83104 1.83947 1.84174 1.84306 1.84747 1.85382 1.86249 1.86742 1.86767 1.87218 1.89024 1.89554 1.90809 1.91368 1.92026 1.92236 1.93046 1.93353 1.93944 1.94497 1.95274 1.97542 1.98653 1.98973 1.99471 2.00436 2.01325 2.01987 2.02295 2.02939 2.03625 2.05105 2.06405 2.06851 2.07371 2.08226 2.08721 2.10453 2.10918 2.11810 2.12468 2.12932 2.13720 2.15020 2.15772 2.16591 2.17187 2.18207 2.18586 2.19300 2.19726 2.20748 2.21532 2.22962 2.23558 2.24619 2.26304 2.27891 2.28337 2.29250 2.29917 2.30305 2.31325 2.33279 2.34085 2.36593 2.36983 2.38191 2.38519 2.38844 2.39437 2.39745 2.40857 2.42286 2.42789 2.43556 2.44910 2.46086 2.47176 2.48187 2.50017 2.50482 2.50741 2.52076 2.52928 2.54060 2.55055 2.57134 2.57663 2.58050 2.58951 2.62009 2.62581 2.64086 2.64867 2.65427 2.66048 2.66376 2.67734 2.68035 2.70219 2.70658 2.72250 2.72366 2.72689 2.73252 2.74184 2.74282 2.75415 2.76107 2.76463 2.76893 2.76956 2.77695 2.77973 2.79394 2.79494 2.80362 2.82515 2.84524 2.87228 2.88810 2.89257 2.89366 2.89682 2.90789 2.91196 2.91895 2.92503 2.92943 2.93793 2.94405 2.95895 2.96029 2.96242 2.96915 2.97967 2.98235 2.99656 3.00534 3.00799 3.01383 3.01598 3.02335 3.03098 3.03858 3.04061 3.04276 3.04714 3.05006 3.05630 3.06046 3.06942 3.07885 3.08573 3.08787 3.09251 3.09619 3.10209 3.10715 3.10920 3.11465 3.12054 3.12692 3.13394 3.13567 3.13918 3.14296 3.14541 3.14573 3.15243 3.15738 3.16185 3.16669 3.16876 3.18025 3.18663 3.19335 3.20614 3.20680 3.21051 3.22131 3.22481 3.22697 3.23607 3.23813 3.24122 3.25803 3.26255 3.26377 3.26601 3.27152 3.27558 3.28662 3.29334 3.29695 3.30247 3.30797 3.31658 3.31851 3.32101 3.32163 3.33442 3.34130 3.34496 3.34759 3.35514 3.36746 3.36898 3.37786 3.38353 3.38563 3.38691 3.39558 3.40017 3.40476 3.40773 3.41247 3.41791 3.42663 3.43377 3.43919 3.44384 3.44916 3.45200 3.45691 3.45877 3.46199 3.46463 3.46725 3.47105 3.47254 3.47488 3.48183 3.48535 3.48920 3.49629 3.49913 3.50978 3.51561 3.52104 3.52642 3.53537 3.53953 3.54320 3.54566 3.54727 3.55682 3.55919 3.56659 3.56924 3.57525 3.58119 3.58532 3.58756 3.60009 3.60384 3.60778 3.61304 3.61827 3.63351 3.64155 3.64472 3.66351 3.66796 3.67614 3.67917 3.69034 3.69659 3.70427 3.70741 3.71291 3.71571 3.73085 3.73425 3.74067 3.74259 3.74898 3.75686 3.76723 3.76982 3.77340 3.77870 3.77957 3.78082 3.78842 3.78954 3.80053 3.80591 3.81348 3.84478 3.84924 3.85391 3.86114 3.87823 3.88231 3.88475 3.89484 3.90647 3.90975 3.91432 3.92054 3.92504 3.93583 3.94154 3.94356 3.95281 3.95461 3.96692 3.97046 3.97967 3.98902 3.99128 4.00260 4.00699 4.01326 4.01440 4.02405 4.02573 4.03811 4.04696 4.04705 4.04924 4.07071 4.07571 4.08417 4.08733 4.09259 4.09548 4.11059 4.11860 4.12092 4.12791 4.14181 4.15409 4.15826 4.16368 4.16858 4.17179 4.17720 4.18798 4.20131 4.21885 4.22545 4.22819 4.23147 4.23651 4.24044 4.24945 4.25655 4.26061 4.27206 4.27460 4.27997 4.28400 4.29109 4.29430 4.30001 4.30135 4.30603 4.31256 4.32122 4.32476 4.33606 4.34543 4.34821 4.35259 4.36178 4.36492 4.37486 4.38184 4.38559 4.39310 4.40332 4.42066 4.42734 4.42923 4.43465 4.44054 4.44345 4.45909 4.46781 4.47344 4.48480 4.49105 4.49402 4.49629 4.51783 4.52532 4.53317 4.54018 4.54884 4.57674 4.58331 4.61229 4.62774 4.66124 4.67357 4.67800 4.68832 4.69160 4.70814 4.71113 4.71467 4.72601 4.73046 4.73896 4.74758 4.76221 4.76700 4.79968 4.80681 4.81889 4.82893 4.83376 4.83885 4.84769 4.85030 4.85567 4.85784 4.86239 4.88685 4.91484 4.91926 4.92788 4.94951 4.95718 4.95826 4.96679 4.97692 4.99664 5.00861 5.01573 5.03350 5.04451 5.07689 5.08780 5.11344 5.11763 5.11996 5.13956 5.14378 5.17604 5.19095 5.19282 5.19824 5.22946 5.23697 5.24235 5.24922 5.26032 5.26728 5.27250 5.27624 5.29731 5.30382 5.30867 5.31802 5.32618 5.36673 5.37804 5.37896 5.38504 5.39132 5.40852 5.42809 5.43321 5.44534 5.45613 5.49001 5.52232 5.52810 5.54187 5.58484 5.59654 5.60274 5.62186 5.63509 5.65808 5.66140 5.68816 5.71987 5.75960 5.76460 5.76735 5.77700 5.85301 5.87135 5.89122 5.92712 5.99402 5.99733 6.02853 6.03419 6.06781 6.08610 6.11581 6.13276 6.16577 6.20059 6.21025 6.30011 6.39882 6.60991 6.71480 6.92272 7.85464 12.87432 12.87789 12.88502 12.88614 12.89724 12.90249 12.90266 12.90285 12.90606 13.08645 13.09684 13.10784 13.13077 13.15462 13.17513 13.38647 22.89317 23.05556 23.07120 23.13610 23.14581 23.18692 23.20495 23.24861 23.25039 23.31465 23.35916 23.37234 23.37949 23.38545 23.41800 23.68124 23.74733 23.99141 24.06508 24.24222 32.88368 33.00212 -482.77870 -323.07591 -62.42605 -56.24056 -56.23959 -56.23941 -38.87459 -34.08298 -34.07990 -34.07521 -14.37127 -14.36691 -10.25086 -10.24965 -10.24235 -10.24192 -10.22645 -10.22621 -10.22371 -10.22332 -10.21260 -10.21189 -10.21147 -10.21131 -10.18952 -10.17009 -10.16963 -10.16928 -10.16855 -10.16840 -10.13600 -10.12790 -8.61546 -6.44009 -6.43651 -6.43594 -4.34596 -2.83711 -2.83632 -2.83470 -2.55562 -2.55464 -2.55420 -2.55112 -2.55110 -1.00206 -0.97458 -0.88198 -0.85069 -0.84006 -0.83509 -0.77986 -0.77818 -0.76321 -0.73895 -0.69194 -0.68892 -0.68274 -0.67674 -0.67017 -0.63559 -0.60476 -0.59744 -0.58654 -0.57058 -0.54764 -0.52627 -0.51605 -0.51308 -0.50102 -0.47147 -0.46961 -0.46626 -0.45709 -0.45221 -0.44732 -0.43899 -0.43498 -0.42732 -0.42656 -0.41361 -0.40179 -0.39104 -0.37780 -0.37671 -0.37158 -0.35634 -0.35005 -0.34415 -0.34256 -0.33902 -0.33611 -0.33142 -0.32095 -0.31657 -0.30398 -0.29013 -0.27807 -0.26846 -0.26594 -0.25120 -0.24230 -0.23061 -0.22839 -0.20784 -0.11137 -0.09447 -0.08978 -0.04835 -0.02311 -0.02089 -0.00818 -0.00658 0.00534 0.00947 0.01762 0.02075 0.02404 0.02450 0.02692 0.03359 0.04076 0.04665 0.05025 0.05413 0.05748 0.06172 0.06324 0.06537 0.07143 0.07530 0.07609 0.07834 0.08338 0.09197 0.09743 0.09782 0.10111 0.10241 0.11150 0.11281 0.11504 0.11946 0.12088 0.12649 0.12854 0.13365 0.13815 0.13855 0.14062 0.14455 0.14586 0.14848 0.15043 0.15295 0.15685 0.15976 0.16433 0.16650 0.16927 0.17144 0.17824 0.18009 0.18445 0.18507 0.18781 0.19130 0.19260 0.19462 0.19927 0.20271 0.20333 0.20457 0.20797 0.21026 0.21193 0.21421 0.21496 0.21767 0.21949 0.21983 0.22266 0.22424 0.22655 0.22719 0.23128 0.23178 0.23439 0.23666 0.23991 0.24044 0.24530 0.24748 0.24896 0.25085 0.25289 0.25736 0.25806 0.25908 0.26309 0.26571 0.26744 0.26879 0.27070 0.27325 0.27434 0.27890 0.28447 0.28564 0.28813 0.29134 0.29310 0.29551 0.29772 0.29952 0.30026 0.30234 0.30709 0.30884 0.31179 0.31294 0.31536 0.31749 0.32089 0.32212 0.32370 0.32673 0.32975 0.33168 0.33454 0.33645 0.33964 0.34284 0.34417 0.34707 0.35058 0.35169 0.35269 0.35578 0.35819 0.36127 0.36262 0.36526 0.36840 0.37056 0.37092 0.37494 0.37578 0.37670 0.37819 0.38094 0.38189 0.38501 0.38943 0.39125 0.39446 0.39558 0.39921 0.40014 0.40582 0.40870 0.41057 0.41554 0.41787 0.42124 0.42622 0.42655 0.43092 0.43368 0.43697 0.43874 0.44321 0.44590 0.44870 0.45213 0.45549 0.45776 0.45835 0.46086 0.46496 0.46683 0.47106 0.47502 0.47981 0.48137 0.48420 0.48576 0.48890 0.49070 0.49631 0.49944 0.50072 0.50407 0.50954 0.51302 0.51704 0.51815 0.51987 0.52067 0.52453 0.53191 0.53366 0.53559 0.53845 0.54123 0.54540 0.54627 0.54724 0.55004 0.55249 0.55371 0.55920 0.56227 0.56633 0.56887 0.57219 0.57704 0.58031 0.58203 0.58218 0.58363 0.58610 0.59074 0.59208 0.59493 0.59760 0.60353 0.60485 0.60671 0.60926 0.61264 0.61463 0.61593 0.61810 0.62310 0.62517 0.62800 0.62971 0.63447 0.63664 0.63898 0.64414 0.64692 0.64975 0.65236 0.65337 0.65571 0.65753 0.65974 0.66175 0.66341 0.66594 0.66726 0.66849 0.67149 0.67604 0.67666 0.68101 0.68270 0.68484 0.68922 0.68979 0.69304 0.69367 0.69507 0.69893 0.70249 0.70447 0.70627 0.70826 0.71110 0.71325 0.71591 0.71855 0.72070 0.72223 0.72546 0.72619 0.73144 0.73455 0.73489 0.73862 0.74374 0.74487 0.74804 0.75017 0.75372 0.75567 0.75811 0.76114 0.76599 0.76622 0.76877 0.77196 0.77291 0.77691 0.78014 0.78624 0.78851 0.78989 0.79257 0.80090 0.80194 0.80844 0.81077 0.81326 0.81818 0.82401 0.82629 0.82786 0.83453 0.83834 0.83966 0.84243 0.84675 0.84959 0.85485 0.85629 0.86401 0.86908 0.87129 0.87414 0.87759 0.88389 0.89353 0.89614 0.89712 0.90162 0.90719 0.91191 0.91844 0.92029 0.92373 0.92686 0.92985 0.93353 0.93879 0.94440 0.94685 0.94971 0.95253 0.95737 0.96152 0.96498 0.96697 0.97752 0.97971 0.98112 0.98172 0.98810 0.99046 0.99909 1.00164 1.01011 1.01204 1.01840 1.01988 1.02534 1.03155 1.03566 1.04023 1.04452 1.05139 1.05741 1.06573 1.06596 1.07759 1.08345 1.08646 1.09008 1.10142 1.10746 1.11286 1.11509 1.11850 1.12355 1.12735 1.13157 1.14367 1.14429 1.15373 1.16106 1.16585 1.17220 1.17407 1.18072 1.18351 1.18714 1.19195 1.20132 1.20387 1.21226 1.21344 1.22398 1.23518 1.24247 1.24631 1.25239 1.25951 1.26341 1.26926 1.26993 1.28283 1.28311 1.28833 1.29304 1.30106 1.30274 1.31317 1.32101 1.32773 1.33406 1.33659 1.33788 1.34273 1.34889 1.35674 1.36233 1.36736 1.37402 1.37829 1.37997 1.38375 1.38642 1.39018 1.40216 1.41429 1.42194 1.42280 1.42581 1.42993 1.43502 1.44298 1.45027 1.45418 1.45765 1.46498 1.46877 1.47480 1.48047 1.48750 1.48866 1.50571 1.50670 1.51209 1.52000 1.52416 1.52909 1.53419 1.53702 1.54295 1.55463 1.56512 1.56965 1.57344 1.57531 1.58263 1.58935 1.59783 1.60456 1.60904 1.61230 1.61522 1.62524 1.62767 1.63002 1.63557 1.64069 1.64580 1.65617 1.66632 1.67064 1.67106 1.68038 1.68134 1.68691 1.68942 1.69970 1.70414 1.71378 1.72228 1.72515 1.73010 1.73844 1.73925 1.74299 1.74898 1.75837 1.75947 1.76610 1.76702 1.77329 1.77869 1.78038 1.78375 1.79123 1.79820 1.80384 1.80945 1.81223 1.81415 1.81956 1.82637 1.82913 1.83155 1.84024 1.84302 1.84494 1.84854 1.85413 1.86286 1.86781 1.86834 1.87296 1.89054 1.89700 1.90900 1.91393 1.92066 1.92378 1.93079 1.93401 1.94127 1.94756 1.95408 1.97646 1.98721 1.99000 1.99545 2.00483 2.01424 2.02015 2.02425 2.02962 2.03675 2.05320 2.06468 2.06895 2.07437 2.08305 2.08749 2.10513 2.10949 2.11885 2.12576 2.13044 2.13847 2.15098 2.15823 2.16660 2.17316 2.18260 2.18648 2.19392 2.19829 2.20825 2.21647 2.23019 2.23663 2.24719 2.26368 2.27929 2.28378 2.29309 2.29944 2.30390 2.31341 2.33313 2.34096 2.36643 2.37098 2.38213 2.38543 2.38875 2.39469 2.39879 2.40952 2.42323 2.42817 2.43670 2.45015 2.46131 2.47199 2.48231 2.50094 2.50524 2.50779 2.52090 2.52987 2.54096 2.55082 2.57244 2.57733 2.58166 2.58997 2.62113 2.62624 2.64134 2.64949 2.65495 2.66093 2.66427 2.67777 2.68115 2.70291 2.70770 2.72274 2.72401 2.72738 2.73291 2.74213 2.74372 2.75444 2.76175 2.76485 2.76931 2.77023 2.77716 2.78012 2.79467 2.79590 2.80446 2.82517 2.84591 2.87286 2.88905 2.89295 2.89466 2.89787 2.90843 2.91248 2.91961 2.92585 2.93009 2.93869 2.94416 2.95925 2.96081 2.96290 2.96945 2.98056 2.98417 2.99721 3.00558 3.00838 3.01392 3.01619 3.02349 3.03144 3.03890 3.04100 3.04304 3.04809 3.05038 3.05663 3.06067 3.06964 3.07939 3.08621 3.08835 3.09314 3.09653 3.10246 3.10747 3.10982 3.11530 3.12163 3.12762 3.13491 3.13619 3.13955 3.14318 3.14565 3.14606 3.15252 3.15760 3.16244 3.16705 3.16918 3.18074 3.18685 3.19349 3.20644 3.20715 3.21103 3.22159 3.22522 3.22758 3.23737 3.23849 3.24175 3.25889 3.26429 3.26492 3.26680 3.27216 3.27576 3.28837 3.29375 3.29993 3.30297 3.30903 3.31731 3.31911 3.32162 3.32232 3.33556 3.34361 3.34661 3.35038 3.35624 3.36833 3.36958 3.37864 3.38420 3.38656 3.38762 3.39575 3.40090 3.40688 3.40850 3.41393 3.41949 3.42829 3.43483 3.44056 3.44936 3.45076 3.45424 3.45824 3.45980 3.46427 3.46669 3.46926 3.47173 3.47326 3.47669 3.48459 3.48777 3.49230 3.49729 3.50015 3.51133 3.51650 3.52516 3.52834 3.53597 3.54011 3.54345 3.54646 3.54812 3.55793 3.56052 3.56864 3.57024 3.57705 3.58211 3.58667 3.58892 3.60091 3.60484 3.60968 3.61753 3.61885 3.63560 3.64352 3.64702 3.66629 3.66881 3.67873 3.68075 3.69101 3.69752 3.70558 3.70803 3.71387 3.71688 3.73165 3.73695 3.74218 3.74552 3.75406 3.75813 3.76792 3.77023 3.77362 3.77886 3.78020 3.78316 3.78871 3.79047 3.80135 3.80668 3.81435 3.84546 3.85024 3.85428 3.86203 3.87931 3.88361 3.88772 3.89777 3.90801 3.91133 3.91547 3.92234 3.92714 3.93740 3.94306 3.94582 3.95404 3.95664 3.96865 3.97211 3.98037 3.99078 3.99202 4.00308 4.00755 4.01422 4.01590 4.02588 4.02728 4.04008 4.04749 4.04838 4.05071 4.07482 4.07672 4.08536 4.08817 4.09413 4.09789 4.11161 4.11928 4.12142 4.12940 4.14207 4.15504 4.15913 4.16541 4.16917 4.17315 4.17761 4.19060 4.20170 4.22025 4.22585 4.22864 4.23221 4.23814 4.24079 4.25262 4.25709 4.26296 4.27305 4.27483 4.28142 4.28577 4.29116 4.29645 4.30055 4.30159 4.30842 4.31351 4.32226 4.32562 4.33645 4.34597 4.34899 4.35385 4.36205 4.36580 4.37528 4.38438 4.38650 4.39410 4.40480 4.42126 4.42772 4.43089 4.43526 4.44169 4.44467 4.45971 4.46968 4.47365 4.48540 4.49157 4.49538 4.49711 4.51958 4.52714 4.53490 4.54130 4.54948 4.58118 4.58433 4.61230 4.63309 4.66131 4.67469 4.67899 4.68861 4.69182 4.70864 4.71131 4.71621 4.72633 4.73098 4.74018 4.74861 4.76456 4.76776 4.80038 4.80693 4.82035 4.82965 4.83381 4.84179 4.84896 4.85080 4.85614 4.85844 4.86380 4.88726 4.91532 4.92227 4.93070 4.95343 4.95852 4.95970 4.96968 4.97737 5.00040 5.00961 5.01572 5.03422 5.04514 5.07729 5.08861 5.11358 5.11939 5.12029 5.14132 5.14544 5.17673 5.19224 5.19390 5.19885 5.22974 5.23751 5.24486 5.24984 5.26134 5.26784 5.27327 5.27681 5.29759 5.30548 5.30951 5.31840 5.32655 5.36744 5.37885 5.37991 5.38573 5.39331 5.40986 5.42854 5.43454 5.44642 5.45704 5.49046 5.52327 5.52917 5.54392 5.58632 5.59662 5.60304 5.62220 5.63536 5.65837 5.66243 5.68984 5.72119 5.76020 5.76480 5.76786 5.77774 5.85362 5.87166 5.89235 5.92926 5.99538 5.99837 6.02998 6.03602 6.06965 6.08620 6.11598 6.13479 6.16714 6.20065 6.21117 6.30085 6.39988 6.61070 6.71482 6.92357 7.85716 12.90526 12.90547 12.90632 12.90824 12.91528 12.91967 12.92230 12.92420 12.94031 13.09499 13.12246 13.12841 13.14746 13.20070 13.22792 13.44747 22.89580 23.05560 23.07134 23.13615 23.14582 23.18697 23.20500 23.24865 23.25039 23.31466 23.35913 23.37236 23.37952 23.38600 23.41814 23.68123 23.74734 23.99201 24.06512 24.24236 32.88570 33.00408 -4.0337 -14.8840 -1.9786 15.5474 -149.4422 -145.6391 -129.7861 10.7597 23.9354 23.6692 -7.8197 -4.0166 11.8364 10.7597 23.9354 23.6692 -411.2683 -133.1627 616.0560 -166.2373 21.0493 197.4181 -224.0261 -30.2524 242.1519 -56.6470 -8250.9091 -5450.4150 -4461.8602 -1414.5897 -1005.3978 -1702.5291 -419.4137 -659.6166 -470.7555 -2330.4485 -1872.5369 -1781.3588 -94.0495 -253.2605 -359.0863 GINC-G82NODEC1 IZAMORA 25-Nov-2025 0 Title 0 2 Version=ES64L-G09RevD.01 HF=-5094.6464376 S2=0.754308 S2-1=0. S2A=0.750014 RMSD=6.424e-07 Dipole=-1.5869744,-5.8558342,-0.7784536 Quadrupole=-5.81378,-2.9862685,8.8000486,7.9995786,17.7953789,17.5974463 PG=C01 [X(C20H13Br1Cu1N2)] 0 0.283786 0.511657 -1.961686 0 -0.388675 -2.340026 -1.749156 0 1.252827 -1.864917 -0.187684 0 -1.223767 -1.842018 -2.80605 0 -0.460826 -3.698975 -1.365505 0 1.247085 -3.196924 0.27025 0 1.914701 -1.110119 0.225101 0 -2.111878 -2.719458 -3.470091 0 -1.378091 -4.565304 -2.05123 0 0.393484 -4.112177 -0.316854 0 1.914909 -3.486479 1.074407 0 -2.894976 -2.173484 -4.512499 0 -2.167806 -4.095466 -3.060518 0 -1.860966 -0.036865 -4.105355 0 -1.429505 -5.60779 -1.750431 0 0.372939 -5.146417 0.01566 0 -2.764219 -0.835716 -4.83128 0 -3.590887 -2.810203 -5.051859 0 -2.856246 -4.759526 -3.575439 0 -1.746512 1.022611 -4.305156 0 -3.348399 -0.385551 -5.626533 0 0.453751 -1.456123 -1.164608 0 -1.112423 -0.52456 -3.120975 0 -0.863375 2.69172 -2.182343 0 1.931854 1.142945 -1.245886 0 3.006578 1.494931 -0.770511 0 4.266726 1.893425 -0.227267 0 5.326419 2.284061 -1.072312 0 4.481902 1.898828 1.166808 0 6.556018 2.66418 -0.538348 0 5.16914 2.287042 -2.146903 0 5.7139 2.281854 1.693245 0 3.670172 1.605545 1.826564 0 6.756876 2.66513 0.845078 0 7.360709 2.96357 -1.205223 0 5.860236 2.283 2.770513 0 7.71652 2.964196 1.258318