Gaussian 16 27-Oct-2025 Gaussian 16 25-Dec-2016 ES64L-G16RevA.03 168 C1[X(C29H23Cl2N3Ru)] RwB97XD Gen SP #P wB97XD/gen pseudo=read gfinput pop=nbo SCRF=(SMD,Solvent=Ethanol) 562.3063999999998 0 1 AuxInfo=1/0/N:7;9;11;13;15;16;19;22;23;25;27;29;31;34;35;37;39;40;42;44;45;47;49;51;52;54;56;57;58;2;3;4;5;6;1;8;10;12;14;17;18;20;21;24;26;28;30;32;33;36;38;41;43;46;48;50;53;55/rA:58nRuCl0Cl0N0N0N0C0H0C0H0C0H0C0H0C0C0H0H0C0H0H0C0C0H0C0H0C0H0C0H0C0H0H0C0C0H0C0H0C0C0H0C0H0C0C0H0C0H0C0H0C0C0H0C0H0C0C0C0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.7803,.3593,-.646;2.2959,1.791,-2.5262;3.5862,-1.4454,-2.0619;3.3986,-.841,.927;.9844,-.5621,-.0865;1.9746,1.9067,.4712;4.5525,-.7267,1.6075;5.1829,.1225,1.3357;4.9315,-1.6376,2.5899;5.8823,-1.5055,3.1084;4.0823,-2.7046,2.8879;4.3492,-3.4347,3.6545;2.882,-2.8223,2.1821;2.1893,-3.6424,2.3799;2.5745,-1.8851,1.2009;1.3494,-1.9491,.3324;1.6094,-2.4979,-.5848;.5107,-2.4505,.8407;.4292,.1725,1.0967;-.6543,.0161,1.1823;.8905,-.2648,1.9946;.787,1.6296,1.0648;-.0044,2.6226,1.6331;-.9671,2.357,2.0724;.4451,3.9463,1.6137;-.1563,4.7432,2.0557;1.6681,4.2265,1.0037;2.056,5.2447,.9486;2.3959,3.1861,.4318;3.333,3.3628,-.0971;.0567,-.5593,-1.2832;.5846,-1.138,-2.0513;.0379,.4718,-1.6468;-1.3187,-1.1149,-1.0166;-1.5243,-2.4998,-1.1012;-.6946,-3.1371,-1.415;-2.7559,-3.0787,-.8126;-2.8848,-4.1609,-.8906;-3.8467,-2.2836,-.4243;-5.1277,-2.851,-.102;-5.2422,-3.936,-.1621;-6.177,-2.0641,.2693;-7.1449,-2.5095,.5123;-6.0436,-.635,.3486;-7.1127,.1954,.7285;-8.0756,-.2595,.9736;-6.9553,1.5803,.7917;-7.7986,2.209,1.0868;-5.7296,2.1675,.4772;-5.6116,3.253,.5224;-4.6324,1.3766,.0939;-3.3585,1.9437,-.2482;-3.2471,3.0306,-.2215;-2.303,1.1614,-.614;-1.3612,1.6399,-.8792;-2.4088,-.2754,-.6689;-3.6775,-.8656,-.3565;-4.7818,-.0428,.0276; g16 /aplic/Gaussian/g16_a03/g16/l1.exe "/sgetmp/1442778.1.llarga3d.q/Gau-9884.inp" -scrdir="/sgetmp/1442778.1.llarga3d.q/" chk=/users/iroca/tfm/ts/2b-2c/Ru2b-dmso_wB97XD_tzvpd_cl_smd.chk nproc=28 mem=100Gb #P wB97XD/gen pseudo=read gfinput pop=nbo SCRF=(SMD,Solvent=Ethanol) 1/38=1,172=1/1 2/12=2,17=6,18=5,40=1/2 3/5=7,11=2,16=1,17=8,24=10,25=1,30=1,70=32201,72=4,74=-58/1,2,3 4//1 5/5=2,38=5,53=4/2 6/7=2,8=2,9=2,10=2,28=1,40=1/1,7 99/5=1,9=1/99 Ru2b-dmso 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 58 102 35 35 14 14 14 12 1 12 1 12 1 12 1 12 12 1 1 12 1 1 12 12 1 12 1 12 1 12 1 12 1 1 12 12 1 12 1 12 12 1 12 1 12 12 1 12 1 12 1 12 12 1 12 1 12 12 12 101.9037000 34.9688527 34.9688527 14.0030740 14.0030740 14.0030740 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 12.0000000 0 3 3 2 2 2 0 1 0 1 0 1 0 1 0 0 1 1 0 1 1 0 0 1 0 1 0 1 0 1 0 1 1 0 0 1 0 1 0 0 1 0 1 0 0 1 0 1 0 1 0 0 1 0 1 0 0 0 -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 /aplic/Gaussian/g16_a03/g16/l101.exe) NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt (5D, 7F) 7 9 11 13 15 16 19 22 23 25 27 29 31 34 35 37 39 40 42 44 45 47 49 51 52 54 56 57 58 8 10 12 14 17 18 20 21 24 26 28 30 32 33 36 38 41 43 46 48 50 53 55 4 5 6 1 def2TZVP 2 3 S 7 1.00 6.9507990945e+04 1.0426156880e+04 2.3732334061e+03 6.7156420071e+02 2.1841999790e+02 7.7572249714e+01 2.8888815277e+01 5.4314897497e-04 4.1990463961e-03 2.1592141679e-02 8.4598850094e-02 2.4757249724e-01 4.7016930228e-01 3.7436370716e-01 S 3 1.00 1.2710527185e+02 3.9339582961e+01 7.6740679989e+00 2.5182166603e-02 1.0786112456e-01 -2.7408821574e-01 S 2 1.00 3.8745627630e+00 1.8385832573e+00 1.3213875014e+00 6.8636955368e-01 S 1 1.00 5.0229057542e-01 1.0000000000e+00 S 1 1.00 1.7962723420e-01 1.0000000000e+00 S 1 1.00 6.1133095854e-02 1.0000000000e+00 P 5 1.00 6.6650423284e+02 1.5764241690e+02 5.0262520978e+01 1.8536078105e+01 7.2940532777e+00 2.3632663836e-03 1.8879300374e-02 8.7206341273e-02 2.5285612970e-01 4.3507154820e-01 P 1 1.00 2.9433248995e+00 3.5026513165e-01 P 1 1.00 1.0404970818e+00 1.0000000000e+00 P 1 1.00 3.8456415080e-01 1.0000000000e+00 P 1 1.00 1.3069642732e-01 1.0000000000e+00 P 1 1.00 3.5381580722e-02 1.0000000000e+00 D 2 1.00 4.6100000000e+00 1.0110000000e+00 2.0000000000e-01 1.0000000000e+00 D 1 1.00 3.3900000000e-01 1.0000000000e+00 D 1 1.00 9.9601358790e-02 1.0000000000e+00 F 1 1.00 7.0600000000e-01 1.0000000000e+00 1 44 16 G and up 2 1.0000000 0.00000000 0.00000000 S - G 2 2 11.1052690 5.4147450 209.82297100 30.65472600 0.00000000 0.00000000 P - G 2 2 9.7712710 5.0739910 146.33618200 24.12787700 0.00000000 0.00000000 D - G 2 2 7.6714230 4.1365650 67.51589700 9.87010400 0.00000000 0.00000000 F - G 2 2 11.3600000 5.6800000 -28.34061600 -4.94462900 0.00000000 0.00000000 2 17 No pseudopotential on this center. 3 17 No pseudopotential on this center. 4 7 No pseudopotential on this center. 5 7 No pseudopotential on this center. 6 7 No pseudopotential on this center. 7 6 No pseudopotential on this center. 8 1 No pseudopotential on this center. 9 6 No pseudopotential on this center. 10 1 No pseudopotential on this center. 11 6 No pseudopotential on this center. 12 1 No pseudopotential on this center. 13 6 No pseudopotential on this center. 14 1 No pseudopotential on this center. 15 6 No pseudopotential on this center. 16 6 No pseudopotential on this center. 17 1 No pseudopotential on this center. 18 1 No pseudopotential on this center. 19 6 No pseudopotential on this center. 20 1 No pseudopotential on this center. 21 1 No pseudopotential on this center. 22 6 No pseudopotential on this center. 23 6 No pseudopotential on this center. 24 1 No pseudopotential on this center. 25 6 No pseudopotential on this center. 26 1 No pseudopotential on this center. 27 6 No pseudopotential on this center. 28 1 No pseudopotential on this center. 29 6 No pseudopotential on this center. 30 1 No pseudopotential on this center. 31 6 No pseudopotential on this center. 32 1 No pseudopotential on this center. 33 1 No pseudopotential on this center. 34 6 No pseudopotential on this center. 35 6 No pseudopotential on this center. 36 1 No pseudopotential on this center. 37 6 No pseudopotential on this center. 38 1 No pseudopotential on this center. 39 6 No pseudopotential on this center. 40 6 No pseudopotential on this center. 41 1 No pseudopotential on this center. 42 6 No pseudopotential on this center. 43 1 No pseudopotential on this center. 44 6 No pseudopotential on this center. 45 6 No pseudopotential on this center. 46 1 No pseudopotential on this center. 47 6 No pseudopotential on this center. 48 1 No pseudopotential on this center. 49 6 No pseudopotential on this center. 50 1 No pseudopotential on this center. 51 6 No pseudopotential on this center. 52 6 No pseudopotential on this center. 53 1 No pseudopotential on this center. 54 6 No pseudopotential on this center. 55 1 No pseudopotential on this center. 56 6 No pseudopotential on this center. 57 6 No pseudopotential on this center. 58 6 No pseudopotential on this center. 0.10000e-02 0.10000e-05 F 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 58 58 58 1.00e+00 60 F Grimme-D2 -0.0633567112 PCM SMD-Coulomb. Total charges None On-the-fly selection Ethanol 24.852000 1.852593 C29H23Cl2N3Ru 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 0 562.3063999999998 AuxInfo=1/0/N:7;9;11;13;15;16;19;22;23;25;27;29;31;34;35;37;39;40;42;44;45;47;49;51;52;54;56;57;58;2;3;4;5;6;1;8;10;12;14;17;18;20;21;24;26;28;30;32;33;36;38;41;43;46;48;50;53;55/rA:58nRuCl0Cl0N0N0N0C0H0C0H0C0H0C0H0C0C0H0H0C0H0H0C0C0H0C0H0C0H0C0H0C0H0H0C0C0H0C0H0C0C0H0C0H0C0C0H0C0H0C0H0C0C0H0C0H0C0C0C0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.7803,.3593,-.646;2.2959,1.791,-2.5262;3.5862,-1.4454,-2.0619;3.3986,-.841,.927;.9844,-.5621,-.0865;1.9746,1.9067,.4712;4.5525,-.7267,1.6075;5.1829,.1225,1.3357;4.9315,-1.6376,2.5899;5.8823,-1.5055,3.1084;4.0823,-2.7046,2.8879;4.3492,-3.4347,3.6545;2.882,-2.8223,2.1821;2.1893,-3.6424,2.3799;2.5745,-1.8851,1.2009;1.3494,-1.9491,.3324;1.6094,-2.4979,-.5848;.5107,-2.4505,.8407;.4292,.1725,1.0967;-.6543,.0161,1.1823;.8905,-.2648,1.9946;.787,1.6296,1.0648;-.0044,2.6226,1.6331;-.9671,2.357,2.0724;.4451,3.9463,1.6137;-.1563,4.7432,2.0557;1.668,4.2265,1.0037;2.056,5.2447,.9486;2.3959,3.1861,.4318;3.333,3.3628,-.0971;.0567,-.5592,-1.2832;.5846,-1.138,-2.0513;.0379,.4718,-1.6468;-1.3187,-1.1149,-1.0166;-1.5242,-2.4998,-1.1012;-.6946,-3.1371,-1.415;-2.7559,-3.0787,-.8126;-2.8848,-4.1609,-.8906;-3.8467,-2.2836,-.4243;-5.1277,-2.8509,-.102;-5.2422,-3.936,-.1621;-6.177,-2.0641,.2693;-7.1449,-2.5095,.5123;-6.0436,-.635,.3486;-7.1127,.1954,.7285;-8.0756,-.2595,.9736;-6.9553,1.5803,.7917;-7.7986,2.209,1.0868;-5.7296,2.1675,.4772;-5.6116,3.253,.5224;-4.6324,1.3766,.0939;-3.3585,1.9437,-.2481;-3.2471,3.0306,-.2215;-2.303,1.1614,-.614;-1.3612,1.6399,-.8792;-2.4088,-.2754,-.6689;-3.6775,-.8656,-.3565;-4.7818,-.0428,.0276; 0.1701382 0.0623151 0.0552746 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Defaulting to unpruned grid for atomic number 44. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 1392 1392 1392 1392 1392 MxSgAt= 58 MxSgA2= 58. 1 Closed 1 1 1 -2293.08754480630 -2294.56619084291 -1.478646036600 -2297.82650596739 -3.260315124489 -2298.09261026044 -0.266104293047 -2298.76169545222 -0.669085191777 -2298.78847965801 -0.026784205797 -2298.79415228267 -0.005672624653 -2298.79597939706 -0.001827114392 -2298.79633351484 -0.000354117786 -2298.79636683198 -0.000033317133 -2298.79638255661 -0.000015724634 -2298.79638989985 -0.000007343237 -2298.79639418530 -0.000004285454 -2298.79639617151 -0.000001986209 -2298.79639676526 -0.000000593745 -2298.79639686011 -0.000000094851 -2298.79639688001 -0.000000019902 -2298.79639688363 -0.000000003623 -2298.79639688449 -0.000000000855 -2298.79639688448 0.000000000006 -2298.79639688448 0.000000000003 -2298.79639688462 -0.000000000144 -2298.79639688 22 2.229232644848e+03 -1.386538426507e+04 5.088656910232e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 13421772800 LenX= 13417572802 LenY= 13415497762 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. PT106656.300S 2025-10-27T15:41:57.000 -101.60521 -101.60404 -14.50632 -14.48394 -14.48200 -10.34657 -10.34586 -10.33569 -10.33329 -10.32952 -10.32692 -10.31948 -10.31315 -10.31165 -10.31054 -10.30824 -10.30679 -10.30668 -10.30579 -10.30532 -10.30527 -10.30471 -10.30371 -10.30346 -10.30144 -10.29547 -10.29514 -10.29425 -10.29415 -10.29412 -10.29390 -10.29368 -10.29327 -10.29293 -9.49112 -9.48982 -7.23352 -7.23227 -7.23126 -7.23077 -7.22987 -7.22953 -3.08348 -1.92696 -1.92160 -1.91230 -1.08411 -1.07066 -1.04673 -0.99978 -0.95812 -0.93633 -0.91499 -0.91346 -0.90604 -0.90251 -0.88889 -0.87327 -0.85123 -0.83759 -0.82626 -0.82341 -0.81939 -0.81366 -0.79792 -0.75256 -0.74081 -0.73983 -0.72793 -0.72313 -0.71720 -0.71305 -0.70468 -0.68033 -0.63898 -0.63043 -0.62188 -0.61275 -0.60775 -0.60441 -0.59812 -0.59235 -0.58229 -0.57392 -0.57021 -0.56281 -0.55145 -0.54626 -0.54123 -0.52866 -0.52726 -0.52267 -0.51834 -0.51504 -0.51347 -0.51087 -0.50996 -0.50426 -0.49998 -0.48688 -0.48198 -0.48100 -0.47707 -0.47011 -0.46417 -0.45640 -0.45277 -0.45131 -0.44846 -0.43926 -0.43560 -0.42684 -0.42188 -0.41518 -0.40431 -0.40297 -0.39146 -0.38788 -0.38658 -0.37461 -0.36268 -0.35953 -0.35461 -0.35218 -0.34675 -0.34400 -0.34029 -0.33915 -0.32224 -0.30854 -0.27165 -0.26451 -0.26271 -0.24953 -0.01270 0.01177 0.02122 0.02474 0.03744 0.04248 0.04355 0.04796 0.06451 0.06830 0.07059 0.09268 0.09661 0.10646 0.11298 0.11402 0.11577 0.12078 0.12639 0.13271 0.13940 0.13999 0.14862 0.15276 0.15408 0.15930 0.16140 0.16356 0.16613 0.17249 0.17409 0.17535 0.18018 0.18463 0.18814 0.18890 0.19100 0.19401 0.20083 0.20411 0.20606 0.20801 0.21199 0.21367 0.21611 0.22140 0.22376 0.22620 0.23219 0.23440 0.24043 0.24498 0.24755 0.24848 0.25158 0.25574 0.26228 0.26361 0.26849 0.26927 0.27068 0.27479 0.27765 0.28249 0.28349 0.28512 0.28844 0.29101 0.29348 0.29845 0.30170 0.30410 0.30644 0.30817 0.31064 0.31605 0.31809 0.32053 0.32278 0.32402 0.32710 0.32874 0.32924 0.33222 0.33518 0.33881 0.33915 0.34519 0.34642 0.34854 0.35061 0.35344 0.35496 0.35848 0.36080 0.36186 0.36439 0.36512 0.36756 0.36863 0.37306 0.37508 0.37656 0.38016 0.38249 0.38527 0.38906 0.39279 0.39444 0.40110 0.40226 0.40377 0.40642 0.40981 0.41061 0.41347 0.41820 0.42099 0.42531 0.42975 0.43007 0.43409 0.43819 0.44041 0.44284 0.44404 0.44648 0.44826 0.45092 0.45615 0.45788 0.45964 0.46420 0.46544 0.46975 0.47090 0.47437 0.47646 0.47931 0.48380 0.48667 0.48882 0.49121 0.49187 0.49349 0.49617 0.49705 0.50018 0.50246 0.50572 0.51009 0.51349 0.51537 0.51686 0.52163 0.52480 0.52641 0.53171 0.53855 0.54208 0.54508 0.54885 0.55214 0.55574 0.55718 0.55956 0.56486 0.56810 0.57211 0.57280 0.57466 0.57696 0.57767 0.58270 0.58324 0.59004 0.59046 0.59319 0.59567 0.60187 0.60406 0.60604 0.61000 0.61668 0.61822 0.62058 0.62172 0.62346 0.63278 0.63477 0.63858 0.64098 0.64670 0.64855 0.65513 0.66220 0.66618 0.66854 0.67703 0.67959 0.68446 0.68491 0.68802 0.69160 0.69663 0.69877 0.70167 0.70572 0.71131 0.71349 0.71718 0.72025 0.72095 0.72239 0.73001 0.73055 0.73245 0.73442 0.73806 0.74097 0.74222 0.74419 0.75059 0.75358 0.75557 0.76147 0.76411 0.76557 0.76714 0.76826 0.77085 0.77778 0.77808 0.78356 0.78852 0.79054 0.79267 0.79711 0.80008 0.80462 0.80570 0.80833 0.81583 0.81750 0.82183 0.82254 0.82653 0.83105 0.83544 0.83685 0.84030 0.84171 0.84441 0.84650 0.85716 0.85758 0.86351 0.86482 0.86724 0.87159 0.87550 0.88135 0.88533 0.88630 0.88917 0.89387 0.89653 0.90444 0.90617 0.90696 0.90926 0.91482 0.91973 0.92619 0.92699 0.93070 0.93492 0.93703 0.94269 0.94541 0.94676 0.95385 0.95638 0.96220 0.96687 0.96938 0.97597 0.98156 0.98296 0.98461 0.99322 0.99804 1.00091 1.00720 1.01097 1.01553 1.02043 1.02639 1.02866 1.03745 1.03948 1.04508 1.05273 1.05718 1.05980 1.06722 1.07627 1.08164 1.08560 1.08943 1.09514 1.10164 1.10347 1.10841 1.10908 1.11635 1.12412 1.12985 1.13446 1.14048 1.14307 1.14515 1.15260 1.15972 1.16397 1.17071 1.17962 1.18150 1.18777 1.19015 1.19602 1.20236 1.20591 1.21505 1.22016 1.22207 1.22818 1.23472 1.23957 1.24398 1.24956 1.25411 1.26085 1.26631 1.27150 1.27668 1.28358 1.28717 1.29279 1.29959 1.30387 1.30803 1.31333 1.31526 1.32448 1.32859 1.33357 1.33508 1.33958 1.34415 1.34765 1.35184 1.35461 1.35673 1.36477 1.37597 1.37736 1.37895 1.38351 1.38903 1.39117 1.39472 1.40139 1.40508 1.40923 1.41345 1.41578 1.42297 1.42775 1.42870 1.43172 1.43451 1.44878 1.45269 1.45700 1.46037 1.47161 1.47397 1.48051 1.48239 1.49078 1.50231 1.50377 1.51225 1.52136 1.52663 1.52740 1.53608 1.53854 1.54257 1.54454 1.54958 1.55446 1.55681 1.56025 1.56508 1.56763 1.57196 1.57574 1.57812 1.58505 1.58918 1.59159 1.59449 1.60334 1.60370 1.61729 1.61997 1.62394 1.62555 1.62780 1.63693 1.64692 1.64999 1.65581 1.65808 1.66179 1.66553 1.67316 1.67855 1.68193 1.68644 1.69480 1.69866 1.70704 1.71042 1.71349 1.72120 1.72894 1.73290 1.73942 1.74100 1.75068 1.75267 1.75358 1.75965 1.76558 1.76815 1.77495 1.77924 1.77974 1.78109 1.78460 1.78603 1.79331 1.79634 1.79985 1.80523 1.80869 1.81403 1.81842 1.82566 1.83081 1.83231 1.83403 1.84032 1.84385 1.85007 1.85291 1.85932 1.86470 1.86867 1.87230 1.87598 1.88054 1.88951 1.89254 1.89761 1.90159 1.90892 1.91798 1.92782 1.93323 1.94427 1.94946 1.95462 1.95845 1.96499 1.96898 1.97763 1.97891 1.98594 1.99236 2.00036 2.00759 2.01022 2.01515 2.02001 2.03163 2.03321 2.03701 2.03952 2.04328 2.05387 2.05794 2.06091 2.06393 2.06714 2.07543 2.08438 2.09030 2.09341 2.09814 2.10721 2.10829 2.11506 2.11889 2.12172 2.12505 2.12757 2.13588 2.14234 2.14279 2.14752 2.15232 2.15683 2.16752 2.17394 2.17497 2.18192 2.18325 2.18840 2.19590 2.19949 2.20138 2.20445 2.21082 2.21539 2.21930 2.22384 2.23068 2.23476 2.24011 2.24389 2.24685 2.24857 2.25207 2.25674 2.25756 2.25975 2.26311 2.26922 2.27425 2.27635 2.27936 2.28334 2.28797 2.29032 2.29200 2.29681 2.29858 2.30481 2.30764 2.30810 2.31339 2.31403 2.32559 2.32938 2.33286 2.33416 2.34296 2.34881 2.34998 2.35336 2.36032 2.36456 2.36862 2.37205 2.38221 2.38837 2.39055 2.40281 2.40757 2.41865 2.42604 2.43145 2.43931 2.45106 2.45737 2.46073 2.46609 2.46980 2.47371 2.48410 2.49084 2.49157 2.50015 2.50424 2.51886 2.52224 2.52673 2.53790 2.53899 2.54232 2.54997 2.55485 2.56293 2.57464 2.57482 2.58414 2.58895 2.59487 2.60017 2.60794 2.61605 2.61992 2.62336 2.63019 2.63173 2.63826 2.64389 2.65222 2.65573 2.65776 2.66033 2.66570 2.67177 2.67671 2.68027 2.68196 2.68454 2.68812 2.69596 2.69875 2.70401 2.70552 2.71184 2.71656 2.71813 2.72375 2.72689 2.73361 2.73890 2.73997 2.74820 2.75145 2.75236 2.76052 2.76259 2.77272 2.77535 2.77994 2.78230 2.78572 2.79233 2.79383 2.80088 2.80448 2.80599 2.81207 2.81544 2.81884 2.82069 2.82405 2.83003 2.83103 2.83857 2.84242 2.84629 2.85187 2.85689 2.85915 2.86410 2.87074 2.87501 2.87669 2.88160 2.88265 2.88825 2.88989 2.89465 2.90150 2.90463 2.90823 2.91095 2.91241 2.91789 2.92474 2.92827 2.93191 2.93719 2.93845 2.94594 2.95053 2.95200 2.96073 2.96926 2.97277 2.97536 2.98359 2.98427 2.98975 2.99346 2.99439 2.99775 2.99914 3.01053 3.01843 3.01939 3.02183 3.02667 3.02933 3.03234 3.04112 3.04525 3.05149 3.05917 3.06057 3.06349 3.06926 3.07409 3.07830 3.08183 3.08898 3.09056 3.09117 3.10134 3.10395 3.10943 3.11261 3.11752 3.12473 3.12757 3.13139 3.13495 3.13806 3.14359 3.14752 3.15159 3.15903 3.16220 3.16391 3.16706 3.17503 3.17748 3.18240 3.18657 3.19142 3.20182 3.20276 3.20974 3.21284 3.21471 3.21533 3.22023 3.22376 3.22938 3.23462 3.23918 3.24246 3.24330 3.24622 3.24811 3.25091 3.25337 3.25803 3.26114 3.26568 3.26905 3.27579 3.27757 3.27962 3.28454 3.29124 3.29546 3.29784 3.30538 3.30928 3.31534 3.32017 3.32556 3.33007 3.33200 3.33960 3.34312 3.34752 3.35304 3.35352 3.35727 3.36351 3.36648 3.37921 3.38224 3.38472 3.38736 3.39229 3.39611 3.40081 3.40769 3.41027 3.41451 3.41681 3.41803 3.42091 3.43466 3.43885 3.43918 3.44438 3.44840 3.45076 3.45487 3.45893 3.46300 3.46990 3.47103 3.48044 3.48818 3.49099 3.49632 3.49793 3.50000 3.50784 3.51324 3.51793 3.52011 3.52507 3.52870 3.53221 3.53459 3.54319 3.54717 3.54959 3.55699 3.55878 3.56386 3.56938 3.57239 3.57788 3.58061 3.58574 3.58801 3.59542 3.60767 3.60860 3.61461 3.61694 3.61978 3.62554 3.63265 3.63896 3.64066 3.64112 3.64996 3.66008 3.66420 3.66959 3.67387 3.67706 3.68011 3.68873 3.69254 3.69802 3.70150 3.70286 3.71051 3.72253 3.72676 3.73735 3.74180 3.74630 3.74885 3.76167 3.76500 3.77157 3.78237 3.78745 3.79838 3.80445 3.81308 3.81911 3.82369 3.82597 3.84389 3.84578 3.85766 3.86984 3.87044 3.88300 3.88972 3.89714 3.90356 3.91677 3.92121 3.92748 3.93250 3.94264 3.95297 3.95558 3.95900 3.96249 3.97262 3.98041 3.98572 3.98932 3.99502 3.99806 4.00743 4.01414 4.02172 4.03386 4.04741 4.05380 4.05964 4.07183 4.08400 4.08890 4.09124 4.10355 4.10924 4.12365 4.12916 4.13304 4.13632 4.15130 4.16169 4.16361 4.18027 4.18414 4.19017 4.19363 4.20066 4.20241 4.20791 4.21771 4.21963 4.22288 4.23537 4.25290 4.26502 4.26707 4.26987 4.27356 4.28125 4.29693 4.29818 4.30651 4.31105 4.32560 4.33432 4.34479 4.34637 4.35783 4.36701 4.37363 4.37972 4.38683 4.39216 4.39560 4.39700 4.40070 4.40445 4.40745 4.41197 4.42339 4.43249 4.43877 4.45236 4.45793 4.46258 4.47199 4.47512 4.48481 4.49064 4.49245 4.49526 4.50722 4.51206 4.51539 4.53158 4.53731 4.54179 4.55699 4.56720 4.58725 4.60484 4.61271 4.62147 4.63109 4.65094 4.65599 4.67042 4.67884 4.68134 4.69846 4.70287 4.71000 4.71948 4.73294 4.74411 4.74784 4.75226 4.80262 4.81011 4.82063 4.85205 4.85894 4.86587 4.87698 4.88996 4.90834 4.91482 4.92295 4.94310 4.95930 4.97235 4.99116 4.99789 4.99955 5.00816 5.01925 5.02248 5.03149 5.05857 5.07923 5.08508 5.08717 5.09444 5.10344 5.11693 5.13911 5.14952 5.15821 5.17299 5.18648 5.19577 5.21507 5.22421 5.23647 5.25563 5.25973 5.27850 5.28303 5.29187 5.30475 5.31418 5.32592 5.34486 5.34824 5.35588 5.36669 5.39554 5.40698 5.42074 5.42699 5.46065 5.47098 5.48309 5.52124 5.53188 5.54118 5.55035 5.56249 5.56916 5.59381 5.61666 5.63302 5.64445 5.67202 5.73953 5.75951 5.79296 5.82070 5.87284 5.88304 5.90938 5.91713 5.93561 5.93978 5.94646 5.97611 5.99044 6.02337 6.13406 6.16341 6.20480 6.38084 11.02942 11.05506 11.07426 11.12742 11.24880 11.26195 22.13961 22.43808 22.47065 22.66658 22.68315 22.69871 22.70317 22.71310 22.72458 22.74466 22.79655 22.81519 22.83552 22.85283 22.90521 22.97566 22.98004 23.00779 23.02752 23.07459 23.11239 23.13503 23.18661 23.23931 23.24643 23.28745 23.47924 23.59716 24.15983 25.56969 25.64444 29.47888 32.78568 32.88709 32.94563 97.10046 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 Ru Cl Cl N N N C H C H C H C H C C H H C H H C C H C H C H C H C H H C C H C H C C H C H C C H C H C H C C H C H C C C 0.387350 -0.675717 -0.674094 -0.127611 -0.042826 -0.149806 -0.045134 0.201358 -0.143058 0.181957 -0.116330 0.183383 -0.271651 0.179953 0.110134 -0.091981 0.191121 0.187944 -0.188993 0.207993 0.194142 0.172103 -0.290144 0.189203 -0.101361 0.182520 -0.145016 0.179242 -0.049990 0.200896 -0.296420 0.211221 0.213082 0.258214 -0.257425 0.173321 -0.207387 0.156111 0.066664 -0.205139 0.155940 -0.241200 0.156102 0.104040 -0.200078 0.159842 -0.130582 0.163377 -0.206511 0.159911 0.112847 -0.283508 0.151182 -0.308180 0.185192 0.005788 0.072540 -0.004534 -0.00000 -6.5627 -0.4562 18.0918 19.2507 -217.2175 -192.9236 -255.8130 2.9883 45.0738 2.2284 4.7672 29.0611 -33.8283 2.9883 45.0738 2.2284 9.8891 53.7960 94.0967 4.9435 31.8203 245.5123 34.5951 -37.6537 90.5415 -53.9050 -15669.9768 -4669.4827 -2930.2585 250.3244 310.5869 153.2031 96.3388 319.0350 -75.5608 -3501.7636 -3658.7950 -1365.5310 -201.2125 180.2372 -176.5612 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-GATCHAN50 IROCA 2025-10-27T00:00:00.000 0 Ru2b-dmso 0 1 Version=ES64L-G16RevA.03 State=1-A HF=-2298.7963969 RMSD=5.010e-09 Dipole=-2.581959,-0.1794819,7.117869 Quadrupole=3.5442949,21.6062334,-25.1505283,2.2217401,33.5112807,1.6567818 PG=C01 [X(C29H23Cl2N3Ru1)] 0 2.780321 0.359289 -0.646032 0 2.295941 1.791037 -2.526216 0 3.586171 -1.445447 -2.061888 0 3.398585 -0.840989 0.927025 0 0.984411 -0.562114 -0.086544 0 1.9746 1.906659 0.471167 0 4.552501 -0.726701 1.607496 0 5.182859 0.122457 1.335686 0 4.93152 -1.637614 2.589914 0 5.882269 -1.505479 3.108416 0 4.082309 -2.704564 2.887925 0 4.349225 -3.434723 3.654472 0 2.882012 -2.822328 2.18211 0 2.189265 -3.642398 2.37986 0 2.57455 -1.88506 1.200903 0 1.349367 -1.94914 0.332399 0 1.609411 -2.497939 -0.584795 0 0.510721 -2.450526 0.840742 0 0.42924 0.172533 1.096686 0 -0.654275 0.016064 1.182268 0 0.890528 -0.264837 1.994561 0 0.78702 1.629586 1.064825 0 -0.00441 2.622613 1.633058 0 -0.967101 2.356959 2.072399 0 0.44511 3.946313 1.613693 0 -0.156273 4.743243 2.055704 0 1.668047 4.226462 1.003708 0 2.055987 5.244657 0.948614 0 2.3959 3.186143 0.431755 0 3.332956 3.362751 -0.097109 0 0.056741 -0.559246 -1.28319 0 0.584587 -1.138006 -2.051254 0 0.037926 0.471841 -1.646808 0 -1.318654 -1.114886 -1.016589 0 -1.524247 -2.499814 -1.101232 0 -0.694572 -3.137127 -1.415005 0 -2.755876 -3.078737 -0.812621 0 -2.884765 -4.160923 -0.890595 0 -3.846734 -2.283605 -0.424315 0 -5.127687 -2.850948 -0.10196 0 -5.24222 -3.93604 -0.162145 0 -6.176963 -2.064141 0.269295 0 -7.144878 -2.509522 0.51234 0 -6.043606 -0.634999 0.348553 0 -7.112651 0.195356 0.728515 0 -8.075581 -0.259474 0.973632 0 -6.955311 1.580324 0.791679 0 -7.798576 2.208981 1.086763 0 -5.729642 2.167531 0.477161 0 -5.611573 3.252997 0.522414 0 -4.632407 1.376633 0.093855 0 -3.358503 1.943689 -0.248147 0 -3.247097 3.030634 -0.221465 0 -2.303043 1.161367 -0.614015 0 -1.361201 1.639918 -0.879182 0 -2.40882 -0.275427 -0.668885 0 -3.677475 -0.86555 -0.356505 0 -4.781761 -0.042817 0.027618