Gaussian 09 20-Sep-2019 Gaussian 09 30-Nov-2015 ES64L-G09RevE.01 174 C1[X(C29H22N4O4Ru)] UB3LYP Gen SP #p guess=read gen scrf=(smd, solvent=h2o) pseudo=read scf=xqc ub3lyppop=(regular, npa) 569.4046999999999 1 2 AuxInfo=1/1/N:12,13,7,11,8,6,14,10,9,5,3,15,16,2,4;32,33,31,34,29,28,36,30,35,27;49,50,48,51,46,45,53,47,52,44;24,25;1/E:(14,15);;;(1,2);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12-1,13-1,14.1,15-1;2*1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10-1;;/rA:60RuO1C3OC3C3C3C3C3C3C3C3C3C3NNHHHHHHHOOHNC3C3C3C3C3C3C3C3C3HHHHHHHNC3C3C3C3C3C3C3C3C3HHHHHHH/rB:;s2;s1s3;s3;s5;s6;s7;s8;s9;s10;s11;s12;s13;s1s10s14;s1s5s9;s6;s7;s8;s11;s12;s13;s14;s1;s24;s25;s1;s27;s28;s29;s30;s31;s32;s33;s30s34;s27s35;s28;s29;s31;s32;s33;s34;s36;s1;s44;s45;s46;s47;s48;s49;s50;s47s51;s44s52;s45;s46;s48;s49;s50;s51;s53;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /ichec/packages/gaussian/09e01/l1.exe "/localscratch/408605/Gau-88963.inp" -scrdir="/localscratch/408605/" chk=Ru_3a1_22_OOH_LSb3lyp.chk nprocshared=40 mem=100GB #p guess=read gen scrf=(smd, solvent=h2o) pseudo=read scf=xqc ub3lyp p 1/38=1/1 2/12=2,17=6,18=5,40=1/2 3/5=7,11=2,16=1,17=8,25=1,30=1,70=32201,72=1,74=-5,116=2/1,2,3 4/5=1/1 5/5=2,8=3,13=1,38=6,53=1/2,8 6/28=1,40=-1/1,7 99/5=1,9=1/99 /home/michael/molsimp_comfiles/Ru_3a1_22_OOH/Ru_3a1_22_OOH.com auto ge 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 60 102 16 12 16 12 12 12 12 12 12 12 12 12 12 14 14 1 1 1 1 1 1 1 16 16 1 14 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 14 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 101.9037000 15.9949146 12.0000000 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 14.0030740 14.0030740 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 15.9949146 15.9949146 1.0078250 14.0030740 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 14.0030740 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 1 1 1 1 1 1 1 0 0 1 2 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 2 0 0 0 0 0 0 0 0 0 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 (Enter /ichec/packages/gaussian/09e01/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. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 26796 NPrTT= 148441 LenC2= 19988 LenP2D= 61376. LDataN: DoStor=T MaxTD1= 6 Len= 172 NBasis= 689 RedAO= T EigKep= 2.34D-04 NBF= 689 NBsUse= 689 1.00D-06 EigRej= -1.00D+00 NBFU= 689 (5D, 7F) 17 18 19 20 21 22 23 26 37 38 39 40 41 42 43 54 55 56 57 58 59 60 6-31g(d,p) 3 5 6 7 8 9 10 11 12 13 14 28 29 30 31 32 33 34 35 36 45 46 47 48 49 50 51 52 53 6-31g(d) 1 lanl2dz F 1 1.0 1.2350000000e+00 1.0000000000e+00 2 4 24 25 6-31+g(d) 15 16 27 44 6-31+g(d) 1 44 16 F and up 0 1 2 2 2 554.3796303 155.1066871 48.4976263 14.7701594 5.2077363 -0.05152700 -20.18165360 -105.99669150 -42.21667880 -3.76750240 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 S - F 0 1 2 2 2 66.7118060 77.3503632 18.3571445 11.8404727 8.1179479 2.95783440 25.37487070 536.12623720 -651.20572210 381.38169430 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 P - F 0 1 2 2 2 54.9937915 13.9399212 15.2118246 10.5460691 7.5539486 4.96515570 23.88615010 464.46313440 -714.44517880 377.55035940 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 D - F 0 1 2 2 60.3444595 45.2100305 19.1190074 4.2712090 3.03529880 23.29017230 146.09266200 28.91297700 0.00000000 0.00000000 0.00000000 0.00000000 2 8 No pseudopotential on this center. 3 6 No pseudopotential on this center. 4 8 No pseudopotential on this center. 5 6 No pseudopotential on this center. 6 6 No pseudopotential on this center. 7 6 No pseudopotential on this center. 8 6 No pseudopotential on this center. 9 6 No pseudopotential on this center. 10 6 No pseudopotential on this center. 11 6 No pseudopotential on this center. 12 6 No pseudopotential on this center. 13 6 No pseudopotential on this center. 14 6 No pseudopotential on this center. 15 7 No pseudopotential on this center. 16 7 No pseudopotential on this center. 17 1 No pseudopotential on this center. 18 1 No pseudopotential on this center. 19 1 No pseudopotential on this center. 20 1 No pseudopotential on this center. 21 1 No pseudopotential on this center. 22 1 No pseudopotential on this center. 23 1 No pseudopotential on this center. 24 8 No pseudopotential on this center. 25 8 No pseudopotential on this center. 26 1 No pseudopotential on this center. 27 7 No pseudopotential on this center. 28 6 No pseudopotential on this center. 29 6 No pseudopotential on this center. 30 6 No pseudopotential on this center. 31 6 No pseudopotential on this center. 32 6 No pseudopotential on this center. 33 6 No pseudopotential on this center. 34 6 No pseudopotential on this center. 35 6 No pseudopotential on this center. 36 6 No pseudopotential on this center. 37 1 No pseudopotential on this center. 38 1 No pseudopotential on this center. 39 1 No pseudopotential on this center. 40 1 No pseudopotential on this center. 41 1 No pseudopotential on this center. 42 1 No pseudopotential on this center. 43 1 No pseudopotential on this center. 44 7 No pseudopotential on this center. 45 6 No pseudopotential on this center. 46 6 No pseudopotential on this center. 47 6 No pseudopotential on this center. 48 6 No pseudopotential on this center. 49 6 No pseudopotential on this center. 50 6 No pseudopotential on this center. 51 6 No pseudopotential on this center. 52 6 No pseudopotential on this center. 53 6 No pseudopotential on this center. 54 1 No pseudopotential on this center. 55 1 No pseudopotential on this center. 56 1 No pseudopotential on this center. 57 1 No pseudopotential on this center. 58 1 No pseudopotential on this center. 59 1 No pseudopotential on this center. 60 1 No pseudopotential on this center. 0.10000e-02 0.10000e-05 F 1 544 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= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi= 4 60 60 60 1.00e+00 60 T PCM (using non-symmetric T matrix) SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 C29H22N4O4Ru(1+,2) 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 0 569.4046999999999 AuxInfo=1/1/N:12,13,7,11,8,6,14,10,9,5,3,15,16,2,4;32,33,31,34,29,28,36,30,35,27;49,50,48,51,46,45,53,47,52,44;24,25;1/E:(14,15);;;(1,2);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12-1,13-1,14.1,15-1;2*1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10-1;;/rA:60RuO1C3OC3C3C3C3C3C3C3C3C3C3NNHHHHHHHOOHNC3C3C3C3C3C3C3C3C3HHHHHHHNC3C3C3C3C3C3C3C3C3HHHHHHH/rB:;s2;s1s3;s3;s5;s6;s7;s8;s9;s10;s11;s12;s13;s1s10s14;s1s5s9;s6;s7;s8;s11;s12;s13;s14;s1;s24;s25;s1;s27;s28;s29;s30;s31;s32;s33;s30s34;s27s35;s28;s29;s31;s32;s33;s34;s36;s1;s44;s45;s46;s47;s48;s49;s50;s47s51;s44s52;s45;s46;s48;s49;s50;s51;s53;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.1485298 0.0700847 0.0636775 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 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= 676 680 680 681 684 MxSgAt= 60 MxSgA2= 60. 1 open 1 1 1 -1732.10210938812 -1732.11169237760 -0.009582989478 -1732.11115657790 0.000535799697 -1732.11234638683 -0.001189808934 -1732.11239142789 -0.000045041053 -1732.11241518718 -0.000023759292 -1732.11241942514 -0.000004237960 -1732.11242073897 -0.000001313828 -1732.11242138077 -0.000000641805 -1732.11242153564 -0.000000154873 -1732.11242155941 -0.000000023770 -1732.11242156270 -0.000000003291 -1732.11242156471 -0.000000002008 -1732.11242156554 -0.000000000827 -1732.11242156607 -0.000000000530 -1732.11242156626 -0.000000000188 -1732.11242156626 -0.000000000007 -1732.11242156631 -0.000000000045 -1732.11242156632 -0.000000000012 -1732.11242157 19 0.7544 1.659004415576e+03 -1.287895199159e+04 5.037523660900e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. IVT= 1643691 IEndB= 1643691 NGot= 13421772800 MDV= 13420668426 LenX= 13420668426 LenY= 13420133334 Requested convergence on RMS density matrix=1.00D-08 within 64 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 0.7544 alpha 131 132 133 134 135 136 137 138 139 140 141 O O O O O O V V V V V -0.267328 -0.252179 -0.244878 -0.238824 -0.233808 -0.228180 -0.091338 -0.076332 -0.070351 -0.065233 -0.049814 1.289639 2.280030 1.948043 1.274476 1.844465 2.670571 1.673736 1.604985 1.465926 1.506689 1.529621 beta 131 132 133 134 135 136 137 138 139 140 141 O O O O O V V V V V V -0.257288 -0.244086 -0.239987 -0.237876 -0.227477 -0.114670 -0.090756 -0.076208 -0.070401 -0.064930 -0.049570 2.408459 1.854660 1.697372 1.557623 2.084593 2.744444 1.693033 1.608058 1.466385 1.513146 1.541335 1.659004415576D+03 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 Ru O C O C C C C C C C C C C N N H H H H H H H O O H N C C C C C C C C C H H H H H H H N C C C C C C C C C H H H H H H H 99 17 13 17 13 13 13 13 13 13 13 13 13 13 14 14 1 1 1 1 1 1 1 17 17 1 14 13 13 13 13 13 13 13 13 13 1 1 1 1 1 1 1 14 13 13 13 13 13 13 13 13 13 1 1 1 1 1 1 1 -0.00001 0.00076 -0.00065 0.01331 0.00042 -0.00057 -0.00020 -0.00027 0.00034 -0.00134 -0.00001 -0.00066 0.00158 0.00436 0.01186 -0.00862 0.00033 0.00003 0.00004 -0.00010 0.00007 0.00033 0.00011 0.06065 0.00835 -0.00066 -0.00564 -0.00054 0.00008 -0.00015 0.00012 -0.00012 0.00008 -0.00012 -0.00005 -0.00059 -0.00002 -0.00005 -0.00001 0.00001 -0.00001 0.00001 0.00001 -0.00685 -0.00037 -0.00009 -0.00014 0.00009 -0.00012 0.00007 -0.00014 -0.00024 -0.00116 -0.00003 -0.00004 -0.00001 0.00001 -0.00001 0.00001 -0.00003 0.00230 -0.46053 -0.72846 -8.07128 0.46684 -0.64592 -0.21971 -0.30396 0.37716 -1.50963 -0.01577 -0.74720 1.77447 4.90174 3.83303 -2.78446 1.49636 0.14118 0.19036 -0.42760 0.33268 1.47408 0.47505 -36.76486 -5.06300 -2.93048 -1.82278 -0.60892 0.09260 -0.17257 0.13444 -0.13081 0.09489 -0.13056 -0.05966 -0.65796 -0.09156 -0.24413 -0.04676 0.05195 -0.05523 0.03784 0.04823 -2.21171 -0.41236 -0.09796 -0.15221 0.09645 -0.13628 0.07717 -0.15506 -0.26991 -1.30242 -0.13445 -0.17091 -0.03753 0.05959 -0.04766 0.05076 -0.13786 0.00082 -0.16433 -0.25993 -2.88003 0.16658 -0.23048 -0.07840 -0.10846 0.13458 -0.53867 -0.00563 -0.26662 0.63318 1.74906 1.36772 -0.99357 0.53394 0.05038 0.06793 -0.15258 0.11871 0.52599 0.16951 -13.11861 -1.80660 -1.04567 -0.65041 -0.21728 0.03304 -0.06158 0.04797 -0.04667 0.03386 -0.04659 -0.02129 -0.23478 -0.03267 -0.08711 -0.01668 0.01854 -0.01971 0.01350 0.01721 -0.78919 -0.14714 -0.03496 -0.05431 0.03442 -0.04863 0.02754 -0.05533 -0.09631 -0.46473 -0.04797 -0.06098 -0.01339 0.02126 -0.01701 0.01811 -0.04919 0.00077 -0.15362 -0.24299 -2.69229 0.15572 -0.21545 -0.07329 -0.10139 0.12581 -0.50356 -0.00526 -0.24924 0.59190 1.63505 1.27856 -0.92880 0.49913 0.04709 0.06350 -0.14263 0.11097 0.49170 0.15846 -12.26344 -1.68883 -0.97750 -0.60801 -0.20311 0.03089 -0.05756 0.04484 -0.04363 0.03165 -0.04355 -0.01990 -0.21947 -0.03054 -0.08143 -0.01560 0.01733 -0.01842 0.01262 0.01609 -0.73775 -0.13755 -0.03268 -0.05077 0.03217 -0.04546 0.02574 -0.05172 -0.09003 -0.43444 -0.04485 -0.05701 -0.01252 0.01988 -0.01590 0.01693 -0.04598 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 -0.310605 -0.008551 -0.009398 -0.106321 -0.013183 -0.001652 -0.004155 -0.001450 -0.009070 -0.009355 0.000105 -0.005770 -0.001013 -0.014692 -0.018132 -0.009574 -0.001036 -0.000672 -0.000914 -0.000941 -0.000706 -0.001215 -0.006591 -0.519316 -0.091612 0.009096 0.004731 0.006324 0.001106 0.002459 0.000634 0.001040 0.000360 0.001405 0.001856 0.007228 0.003203 0.001298 0.000744 0.000425 0.000398 0.000717 0.003099 0.002138 0.005909 0.001622 0.002489 0.000742 0.001113 0.000490 0.001588 0.001732 0.007991 0.002801 0.001277 0.000741 0.000432 0.000438 0.000812 0.003150 0.157979 -0.001054 -0.003129 0.199562 0.002144 -0.001443 0.001573 0.000929 0.008604 0.010841 0.001898 0.004539 0.003553 0.004834 0.032659 -0.002874 -0.000956 -0.000077 0.000758 0.001752 0.001050 0.001120 0.003635 0.963479 0.179412 -0.007601 -0.004181 -0.001980 -0.001871 -0.000563 -0.000855 0.000044 -0.000517 -0.000127 -0.001272 -0.002460 0.000043 -0.000503 -0.000372 -0.000176 -0.000099 0.000061 0.000603 -0.003055 -0.002476 -0.001313 -0.000647 -0.000737 0.000007 -0.000421 -0.000122 -0.001156 -0.002892 -0.000112 -0.000582 -0.000391 -0.000181 -0.000114 0.000066 0.000522 0.152625 0.009606 0.012527 -0.093241 0.011039 0.003095 0.002582 0.000521 0.000466 -0.001486 -0.002003 0.001231 -0.002540 0.009858 -0.014527 0.012447 0.001992 0.000749 0.000155 -0.000811 -0.000344 0.000095 0.002956 -0.444163 -0.087800 -0.001495 -0.000550 -0.004344 0.000765 -0.001897 0.000221 -0.001083 0.000157 -0.001278 -0.000584 -0.004768 -0.003246 -0.000795 -0.000371 -0.000249 -0.000299 -0.000778 -0.003701 0.000917 -0.003433 -0.000310 -0.001842 -0.000005 -0.001120 -0.000069 -0.001465 -0.000576 -0.005099 -0.002689 -0.000695 -0.000350 -0.000250 -0.000324 -0.000877 -0.003672 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 -0.038443 0.000319 -0.000257 0.017539 0.003186 0.000083 -0.000788 0.000102 0.002956 0.000322 -0.000247 0.000133 0.001372 0.000318 0.000825 -0.000209 -0.000024 0.000025 0.000134 0.000076 0.000039 -0.000019 0.000090 -0.227673 -0.048037 0.001951 0.001556 0.002722 0.000964 -0.000091 -0.000059 -0.000230 -0.000487 -0.000959 -0.001085 -0.003547 0.005214 0.000959 0.000128 -0.000142 -0.000434 -0.001290 -0.007002 -0.001910 -0.002660 -0.000946 0.000126 0.000038 0.000264 0.000503 0.001042 0.001079 0.004304 -0.005114 -0.000862 -0.000112 0.000142 0.000445 0.001433 0.008061 0.104194 0.007495 0.000245 -0.005015 -0.001154 0.000012 0.000680 0.000208 0.000242 0.000353 0.000150 0.000588 -0.000728 0.000874 -0.000206 0.000077 0.000214 0.000106 0.000103 0.000019 0.000022 0.000121 0.000184 0.041626 0.036050 -0.003469 -0.000481 -0.000171 0.000151 0.000150 0.000027 0.000094 0.000120 0.000255 0.000065 0.001035 -0.000381 0.000002 0.000041 0.000050 0.000089 0.000232 0.000879 -0.002989 -0.002178 -0.000647 -0.000495 -0.000162 -0.000183 -0.000004 -0.000198 -0.000420 -0.002207 -0.002208 -0.000514 -0.000177 -0.000057 -0.000004 0.000004 -0.000609 0.009321 -0.003822 -0.005023 -0.086112 -0.006562 0.000614 0.001314 0.002126 0.005668 0.003096 0.000833 -0.000417 -0.003068 -0.011269 -0.019591 0.004768 0.000182 0.000670 0.001392 0.000806 -0.000114 -0.001481 -0.006786 -0.348175 -0.079465 0.002208 0.000784 -0.000270 0.000341 -0.000180 0.000123 -0.000140 0.000042 -0.000156 0.000046 -0.000204 -0.000271 0.000010 0.000007 -0.000016 -0.000045 -0.000182 -0.000885 -0.000168 0.001150 -0.000036 0.000238 -0.000189 0.000293 -0.000169 0.000157 -0.000290 0.000876 0.001670 0.000194 0.000015 0.000004 -0.000008 -0.000022 -0.000830 0.9746 0.0798 -0.2093 -0.0935 0.994 -0.0565 0.2035 0.0746 0.9762 -0.3361 0.1611 0.1751 8.236 -3.947 -4.29 2.939 -1.408 -1.531 2.747 -1.316 -1.431 1 Ru 99 0.9211 -0.1583 -0.3557 0.2308 0.9578 0.1714 0.3136 -0.24 0.9187 -0.0115 -0.0017 0.0132 0.832 0.12 -0.952 0.297 0.043 -0.34 0.278 0.04 -0.318 2 O 17 0.9992 0.0391 -0.0022 -0.0369 0.9588 0.2818 0.0132 -0.2815 0.9595 -0.0094 -0.0046 0.014 -1.263 -0.617 1.879 -0.45 -0.22 0.671 -0.421 -0.206 0.627 3 C 13 0.0246 0.2614 0.9649 0.9982 -0.0596 -0.0093 0.0551 0.9634 -0.2624 -0.1167 -0.1073 0.224 8.444 7.766 -16.21 3.013 2.771 -5.784 2.817 2.59 -5.407 4 O 17 0.9801 -0.1984 -0.0069 0.1767 0.8558 0.4863 -0.0906 -0.4778 0.8738 -0.0138 -9.0E-4 0.0147 -1.855 -0.124 1.979 -0.662 -0.044 0.706 -0.619 -0.042 0.66 5 C 13 0.8995 -0.4338 0.0533 0.437 0.8914 -0.1206 0.0048 0.1317 0.9913 -0.0017 -0.0015 0.0032 -0.227 -0.199 0.426 -0.081 -0.071 0.152 -0.076 -0.066 0.142 6 C 13 0.9795 0.1577 -0.1256 -0.201 0.8122 -0.5476 0.0157 0.5616 0.8272 -0.0044 9.0E-4 0.0035 -0.586 0.118 0.468 -0.209 0.042 0.167 -0.196 0.039 0.156 7 C 13 0.7982 0.3753 -0.4712 0.6004 -0.5601 0.5708 0.0497 0.7385 0.6724 -0.0015 -0.0013 0.0029 -0.205 -0.181 0.385 -0.073 -0.065 0.138 -0.068 -0.06 0.129 8 C 13 0.9797 -0.1839 0.08 -0.1525 -0.424 0.8927 0.1303 0.8868 0.4434 -0.0096 -0.0023 0.0119 -1.289 -0.304 1.593 -0.46 -0.109 0.568 -0.43 -0.101 0.531 9 C 13 0.9991 -0.0097 -0.0409 0.0376 -0.2315 0.9721 0.0189 0.9728 0.231 -0.0094 -0.0022 0.0116 -1.258 -0.296 1.554 -0.449 -0.106 0.555 -0.42 -0.099 0.518 10 C 13 -0.0855 -0.204 0.9752 0.9906 0.0873 0.1051 -0.1066 0.9751 0.1946 -0.0022 1.0E-4 0.0021 -0.294 0.013 0.281 -0.105 0.005 0.1 -0.098 0.004 0.094 11 C 13 0.9963 -0.0162 -0.084 0.0854 0.1212 0.9889 0.0058 0.9925 -0.1222 -0.0058 0.0012 0.0046 -0.781 0.165 0.616 -0.279 0.059 0.22 -0.261 0.055 0.205 12 C 13 0.0569 0.3743 0.9256 0.9688 -0.2446 0.0394 0.2412 0.8945 -0.3765 -0.0038 -0.0014 0.0052 -0.513 -0.186 0.7 -0.183 -0.066 0.25 -0.171 -0.062 0.233 13 C 13 0.9971 -0.0496 -0.0581 0.0751 0.779 0.6225 0.0144 -0.625 0.7805 -0.0148 -0.0041 0.0189 -1.98 -0.556 2.536 -0.707 -0.198 0.905 -0.661 -0.185 0.846 14 C 13 -0.0249 0.3398 0.9402 0.9996 -0.0053 0.0284 0.0146 0.9405 -0.3395 -0.0216 -0.0181 0.0397 -0.833 -0.7 1.533 -0.297 -0.25 0.547 -0.278 -0.233 0.511 15 N 14 0.9991 0.0397 -0.0121 -0.0415 0.9607 -0.2745 7.0E-4 0.2748 0.9615 -0.0096 -0.0042 0.0138 -0.37 -0.163 0.533 -0.132 -0.058 0.19 -0.123 -0.054 0.178 16 N 14 0.933 0.3495 -0.086 -0.3532 0.935 -0.0322 0.0691 0.0604 0.9958 -0.0011 -0.001 0.002 -0.568 -0.509 1.077 -0.203 -0.182 0.384 -0.19 -0.17 0.359 17 H 1 0.9901 0.0837 -0.1125 -0.1277 0.8702 -0.476 0.0581 0.4856 0.8722 -7.0E-4 -4.0E-4 0.0011 -0.364 -0.239 0.603 -0.13 -0.085 0.215 -0.121 -0.08 0.201 18 H 1 0.0828 -0.6295 0.7726 0.9948 0.0055 -0.1022 0.0601 0.777 0.6266 -0.001 -9.0E-4 0.0019 -0.516 -0.493 1.009 -0.184 -0.176 0.36 -0.172 -0.164 0.337 19 H 1 0.0277 -0.2777 0.9603 0.9993 -0.0179 -0.034 0.0266 0.9605 0.277 -0.001 -9.0E-4 0.002 -0.557 -0.503 1.06 -0.199 -0.179 0.378 -0.186 -0.168 0.353 20 H 1 0.9973 -0.0264 -0.0686 0.0705 0.0787 0.9944 0.0208 0.9965 -0.0804 -7.0E-4 -4.0E-4 0.0011 -0.378 -0.187 0.566 -0.135 -0.067 0.202 -0.126 -0.062 0.189 21 H 1 0.9558 -0.1506 -0.2525 0.293 0.5611 0.7742 -0.0251 0.8139 -0.5804 -0.0012 -9.0E-4 0.0022 -0.664 -0.497 1.161 -0.237 -0.178 0.414 -0.221 -0.166 0.387 22 H 1 0.998 -0.0406 -0.048 0.0627 0.6881 0.7229 -0.0037 0.7245 -0.6892 -0.0066 -0.0035 0.0101 -3.524 -1.86 5.384 -1.257 -0.664 1.921 -1.175 -0.621 1.796 23 H 1 0.9317 0.2078 0.2981 -0.3339 0.1663 0.9278 -0.1432 0.9639 -0.2244 -0.5568 -0.5216 1.0783 40.288 37.74 -78.028 14.376 13.467 -27.842 13.439 12.589 -26.027 24 O 17 -0.6325 0.0998 0.7681 0.7528 0.3123 0.5794 -0.1821 0.9447 -0.2727 -0.1278 -0.0838 0.2116 9.248 6.063 -15.312 3.3 2.164 -5.464 3.085 2.023 -5.107 25 O 17 -0.1692 0.9186 -0.3571 0.2232 0.3886 0.894 0.96 0.0716 -0.2708 -0.0088 -0.0014 0.0102 -4.706 -0.748 5.453 -1.679 -0.267 1.946 -1.57 -0.249 1.819 26 H 1 -0.1709 0.9636 -0.2056 0.0269 0.2132 0.9767 0.9849 0.1614 -0.0623 -0.0046 -4.0E-4 0.005 -0.178 -0.015 0.193 -0.064 -0.005 0.069 -0.059 -0.005 0.065 27 N 14 -0.0176 0.1317 0.9911 -0.2866 0.949 -0.1312 0.9579 0.2864 -0.021 -0.0044 -0.0028 0.0071 -0.587 -0.371 0.958 -0.21 -0.132 0.342 -0.196 -0.124 0.32 28 C 13 -0.2759 0.9563 -0.0965 -0.3446 -0.0047 0.9387 0.8973 0.2922 0.3308 -0.0022 7.0E-4 0.0015 -0.293 0.095 0.198 -0.105 0.034 0.071 -0.098 0.032 0.066 29 C 13 -0.0313 0.1286 0.9912 0.0363 0.9912 -0.1275 0.9989 -0.032 0.0357 -0.0019 -5.0E-4 0.0025 -0.258 -0.073 0.331 -0.092 -0.026 0.118 -0.086 -0.024 0.11 30 C 13 0.0406 0.9928 -0.1129 -0.0494 0.1148 0.9922 0.998 -0.0347 0.0537 -9.0E-4 2.0E-4 6.0E-4 -0.117 0.031 0.086 -0.042 0.011 0.031 -0.039 0.01 0.029 31 C 13 -0.0314 0.1146 0.9929 0.2247 0.9688 -0.1047 0.9739 -0.2198 0.0562 -0.0011 0.0 0.0011 -0.148 0.001 0.147 -0.053 0.0 0.053 -0.049 0.0 0.049 32 C 13 0.4111 0.9064 -0.0969 -0.1508 0.1725 0.9734 0.899 -0.3856 0.2076 -7.0E-4 1.0E-4 6.0E-4 -0.1 0.02 0.08 -0.036 0.007 0.029 -0.033 0.007 0.027 33 C 13 -0.066 0.0779 0.9948 0.4375 0.8983 -0.0413 0.8968 -0.4325 0.0934 -0.0013 -6.0E-4 0.0019 -0.175 -0.079 0.254 -0.063 -0.028 0.091 -0.058 -0.026 0.085 34 C 13 0.2989 0.9523 -0.0615 0.0017 0.0639 0.998 0.9543 -0.2984 0.0174 -0.0016 -6.0E-4 0.0022 -0.217 -0.078 0.295 -0.077 -0.028 0.105 -0.072 -0.026 0.098 35 C 13 -0.1062 -0.0727 0.9917 0.3008 0.9483 0.1017 0.9478 -0.3091 0.0788 -0.0049 -0.0036 0.0085 -0.653 -0.484 1.137 -0.233 -0.173 0.406 -0.218 -0.161 0.379 36 C 13 -0.5963 0.8025 -0.0171 0.0261 0.0406 0.9988 0.8023 0.5952 -0.0452 -0.0038 -0.0033 0.0071 -2.041 -1.743 3.784 -0.728 -0.622 1.35 -0.681 -0.581 1.262 37 H 1 -0.3961 0.9157 -0.0686 -0.0295 0.062 0.9976 0.9178 0.3971 0.0024 -9.0E-4 -8.0E-4 0.0017 -0.49 -0.424 0.914 -0.175 -0.151 0.326 -0.163 -0.141 0.305 38 H 1 -0.1037 0.9767 -0.188 -0.0574 0.1828 0.9815 0.993 0.1125 0.0371 -4.0E-4 -4.0E-4 8.0E-4 -0.207 -0.199 0.405 -0.074 -0.071 0.145 -0.069 -0.066 0.135 39 H 1 -0.0517 0.1054 0.9931 0.2256 0.97 -0.0912 0.9729 -0.2193 0.0739 -3.0E-4 -2.0E-4 5.0E-4 -0.135 -0.111 0.246 -0.048 -0.039 0.088 -0.045 -0.037 0.082 40 H 1 0.5086 0.8494 -0.1408 -0.0173 0.1735 0.9847 0.8609 -0.4983 0.1029 -4.0E-4 -3.0E-4 7.0E-4 -0.188 -0.165 0.352 -0.067 -0.059 0.126 -0.063 -0.055 0.118 41 H 1 0.6126 0.7902 0.0139 -0.0999 0.06 0.9932 0.784 -0.6098 0.1157 -9.0E-4 -8.0E-4 0.0018 -0.502 -0.433 0.936 -0.179 -0.155 0.334 -0.168 -0.145 0.312 42 H 1 0.6349 0.7687 0.0777 -0.1241 0.0022 0.9923 0.7625 -0.6397 0.0967 -0.0053 -0.0038 0.0091 -2.812 -2.035 4.847 -1.003 -0.726 1.729 -0.938 -0.679 1.617 43 H 1 0.4059 0.871 0.2766 0.4673 -0.4579 0.7563 0.7854 -0.1777 -0.5929 -0.004 -8.0E-4 0.0048 -0.154 -0.032 0.186 -0.055 -0.011 0.066 -0.051 -0.011 0.062 44 N 14 0.0611 -0.4827 0.8736 0.3532 0.8291 0.4334 0.9336 -0.282 -0.2212 -0.0042 -0.003 0.0072 -0.566 -0.404 0.97 -0.202 -0.144 0.346 -0.189 -0.135 0.324 45 C 13 0.3071 0.9352 0.1762 0.1889 -0.2413 0.9519 0.9327 -0.2591 -0.2508 -0.0016 -4.0E-4 0.0021 -0.219 -0.058 0.276 -0.078 -0.021 0.099 -0.073 -0.019 0.092 46 C 13 0.1143 -0.1896 0.9752 -0.0092 0.9814 0.1919 0.9934 0.0309 -0.1104 -0.0019 -6.0E-4 0.0025 -0.261 -0.081 0.342 -0.093 -0.029 0.122 -0.087 -0.027 0.114 47 C 13 8.0E-4 0.9716 0.2365 0.2203 -0.2309 0.9477 0.9754 0.0513 -0.2142 -8.0E-4 0.0 8.0E-4 -0.105 0.0 0.105 -0.038 0.0 0.037 -0.035 0.0 0.035 48 C 13 0.1041 -0.2529 0.9619 -0.1866 0.945 0.2686 0.9769 0.2075 -0.0512 -0.0012 0.0 0.0012 -0.163 0.005 0.158 -0.058 0.002 0.056 -0.054 0.002 0.053 49 C 13 -0.3816 0.8919 0.2426 0.1832 -0.1843 0.9656 0.906 0.413 -0.0931 -7.0E-4 -0.0 7.0E-4 -0.092 -0.005 0.097 -0.033 -0.002 0.034 -0.031 -0.002 0.032 50 C 13 0.1305 -0.2054 0.9699 -0.4057 0.8816 0.2412 0.9046 0.425 -0.0317 -0.0015 -6.0E-4 0.0021 -0.205 -0.075 0.28 -0.073 -0.027 0.1 -0.068 -0.025 0.093 51 C 13 -0.2911 0.9436 0.1579 0.2158 -0.096 0.9717 0.932 0.3169 -0.1757 -0.0015 -6.0E-4 0.0022 -0.206 -0.086 0.292 -0.074 -0.031 0.104 -0.069 -0.029 0.097 52 C 13 0.2808 -0.5342 0.7974 -0.1847 0.7852 0.591 0.9418 0.3132 -0.1218 -0.0065 -0.0032 0.0097 -0.867 -0.435 1.303 -0.309 -0.155 0.465 -0.289 -0.145 0.435 53 C 13 0.6015 0.7989 -0.005 0.2139 -0.155 0.9645 0.7697 -0.5812 -0.2641 -0.004 -0.0034 0.0074 -2.12 -1.839 3.959 -0.756 -0.656 1.413 -0.707 -0.613 1.321 54 H 1 0.3766 0.9244 0.0607 0.1819 -0.138 0.9736 0.9083 -0.3556 -0.2201 -9.0E-4 -8.0E-4 0.0017 -0.491 -0.436 0.928 -0.175 -0.156 0.331 -0.164 -0.146 0.309 55 H 1 0.1104 0.9901 0.0863 0.1457 -0.1021 0.9841 0.9832 -0.0961 -0.1555 -4.0E-4 -4.0E-4 8.0E-4 -0.215 -0.201 0.416 -0.077 -0.072 0.149 -0.072 -0.067 0.139 56 H 1 0.1386 -0.2967 0.9448 -0.1779 0.9311 0.3185 0.9742 0.2122 -0.0763 -3.0E-4 -2.0E-4 5.0E-4 -0.139 -0.11 0.249 -0.05 -0.039 0.089 -0.046 -0.037 0.083 57 H 1 -0.4819 0.8673 0.1244 0.0669 -0.1052 0.9922 0.8737 0.4865 -0.0073 -4.0E-4 -3.0E-4 7.0E-4 -0.193 -0.173 0.366 -0.069 -0.062 0.131 -0.064 -0.058 0.122 58 H 1 -0.607 0.7859 0.1182 0.0753 -0.0912 0.993 0.7912 0.6116 -0.0038 -0.001 -9.0E-4 0.0019 -0.557 -0.467 1.024 -0.199 -0.167 0.365 -0.186 -0.156 0.342 59 H 1 PT6874.800S 2019-09-20T00:54:48.000+01:00 -19.20874 -19.20624 -19.16495 -19.14286 -14.41093 -14.40652 -14.39200 -14.39148 -10.32546 -10.27057 -10.26857 -10.26089 -10.25078 -10.24482 -10.24355 -10.23383 -10.23362 -10.22535 -10.22486 -10.22282 -10.22254 -10.22083 -10.21703 -10.21613 -10.21591 -10.21308 -10.21226 -10.20496 -10.20434 -10.20045 -10.20038 -10.19955 -10.19936 -10.19688 -10.19662 -10.19616 -10.19594 -2.94850 -1.83981 -1.83504 -1.80582 -1.09832 -1.08075 -1.01128 -0.99261 -0.98085 -0.97303 -0.97145 -0.87019 -0.86955 -0.86579 -0.83522 -0.83438 -0.82707 -0.80211 -0.80135 -0.77974 -0.77891 -0.77819 -0.74584 -0.74530 -0.69407 -0.68309 -0.66228 -0.66186 -0.65561 -0.64165 -0.64080 -0.63657 -0.61453 -0.61382 -0.59409 -0.55711 -0.53987 -0.53672 -0.53435 -0.53384 -0.53215 -0.52949 -0.52333 -0.51630 -0.51053 -0.50470 -0.49669 -0.48883 -0.47978 -0.46878 -0.46769 -0.46396 -0.46357 -0.46108 -0.45534 -0.45283 -0.44941 -0.44606 -0.44340 -0.43846 -0.43180 -0.43102 -0.42851 -0.42764 -0.42347 -0.42014 -0.41559 -0.40939 -0.40351 -0.40198 -0.39686 -0.38909 -0.38015 -0.37465 -0.37125 -0.36796 -0.36425 -0.35245 -0.34815 -0.34677 -0.34406 -0.33286 -0.32849 -0.32250 -0.31822 -0.31464 -0.31272 -0.30808 -0.30419 -0.29334 -0.29011 -0.27984 -0.27589 -0.26733 -0.25218 -0.24488 -0.23882 -0.23381 -0.22818 -0.09134 -0.07633 -0.07035 -0.06523 -0.04981 -0.04269 -0.03976 -0.03618 -0.01904 -0.00997 0.00824 0.01115 0.01487 0.02456 0.02883 0.03083 0.04110 0.04370 0.06788 0.07085 0.08423 0.09386 0.10201 0.10772 0.10945 0.11107 0.11355 0.11777 0.11883 0.12321 0.12984 0.13484 0.13713 0.14116 0.14875 0.15125 0.15302 0.15771 0.15910 0.16566 0.16815 0.17054 0.17190 0.17415 0.17517 0.17841 0.17948 0.18211 0.18431 0.18829 0.19031 0.19355 0.19896 0.20220 0.20402 0.20812 0.21096 0.21318 0.21888 0.22072 0.22461 0.22763 0.23348 0.24196 0.24827 0.24985 0.25236 0.25443 0.26051 0.26254 0.26424 0.26975 0.27449 0.27639 0.27983 0.28292 0.28625 0.28760 0.28872 0.29110 0.30058 0.30529 0.30988 0.31318 0.31635 0.31989 0.32286 0.32842 0.33291 0.33915 0.34769 0.35261 0.35554 0.36400 0.36734 0.36947 0.37478 0.38765 0.39639 0.40641 0.42127 0.42970 0.43437 0.44431 0.45557 0.46118 0.46575 0.47570 0.48136 0.49530 0.50095 0.50747 0.51168 0.51219 0.51495 0.51923 0.52406 0.52565 0.52870 0.53200 0.54184 0.55039 0.55896 0.56289 0.56514 0.56867 0.57294 0.57570 0.57822 0.58188 0.58532 0.59161 0.59735 0.60333 0.60518 0.60627 0.60744 0.61255 0.61420 0.61807 0.61846 0.62260 0.62631 0.63244 0.63387 0.63974 0.64111 0.64668 0.65333 0.65734 0.66567 0.67789 0.68429 0.69254 0.69955 0.70445 0.71133 0.71807 0.72625 0.73413 0.74568 0.75018 0.75555 0.75778 0.75859 0.77193 0.77384 0.78847 0.79348 0.79861 0.80583 0.80621 0.80945 0.81250 0.81392 0.81553 0.81843 0.81952 0.82362 0.82538 0.82797 0.82983 0.83296 0.83457 0.83955 0.84030 0.85155 0.85405 0.86119 0.86677 0.87253 0.87486 0.87883 0.88318 0.88765 0.89419 0.90355 0.90897 0.91386 0.92875 0.93817 0.94574 0.95218 0.96228 0.96947 0.97538 0.97624 0.98385 0.98939 0.99394 0.99773 1.00636 1.00788 1.01033 1.02333 1.02535 1.03306 1.04356 1.04957 1.06127 1.06437 1.07092 1.07515 1.08233 1.08514 1.09123 1.09863 1.10074 1.10836 1.11547 1.12553 1.12690 1.13762 1.14525 1.14938 1.15261 1.15626 1.16383 1.16837 1.17682 1.18053 1.18459 1.19209 1.19265 1.20793 1.21049 1.21740 1.22000 1.22491 1.22733 1.22847 1.23326 1.23677 1.24104 1.24306 1.24833 1.26127 1.26301 1.26834 1.28032 1.28889 1.29061 1.30038 1.30748 1.31745 1.32327 1.32469 1.32533 1.33176 1.33646 1.34591 1.35219 1.35468 1.35715 1.35830 1.37089 1.37214 1.37658 1.37694 1.37898 1.39010 1.39319 1.39639 1.40074 1.40140 1.40415 1.40603 1.41060 1.41782 1.42725 1.43018 1.43286 1.43418 1.44857 1.45220 1.46595 1.46953 1.48273 1.48486 1.49899 1.50433 1.51352 1.51549 1.52317 1.52910 1.53803 1.54898 1.55494 1.57576 1.59280 1.60422 1.64696 1.67462 1.68285 1.69588 1.70299 1.70999 1.72832 1.73479 1.74208 1.74938 1.75195 1.75446 1.75699 1.76522 1.76571 1.77680 1.78352 1.79043 1.79698 1.80157 1.80417 1.80550 1.81397 1.82296 1.82791 1.83429 1.84071 1.85291 1.85738 1.86116 1.86443 1.87070 1.87639 1.88051 1.88361 1.88774 1.89058 1.89527 1.89787 1.90415 1.90839 1.91837 1.92380 1.92517 1.93008 1.93606 1.94126 1.94463 1.95338 1.95866 1.96021 1.96415 1.96602 1.97745 1.98433 1.98549 1.98640 1.99396 2.00625 2.00818 2.01558 2.01719 2.01779 2.02941 2.04543 2.05142 2.05349 2.05822 2.06378 2.06970 2.07715 2.09688 2.10703 2.11106 2.11254 2.11930 2.12618 2.13911 2.14228 2.14299 2.15017 2.15553 2.16760 2.18548 2.19114 2.21066 2.21767 2.22122 2.22213 2.22515 2.23103 2.24158 2.24774 2.25335 2.26889 2.27128 2.27980 2.28203 2.28293 2.29363 2.29832 2.30001 2.30632 2.30920 2.31396 2.32480 2.32908 2.33503 2.34207 2.35516 2.36321 2.36616 2.36765 2.36919 2.38025 2.38145 2.38490 2.38495 2.39772 2.40388 2.40906 2.41845 2.41994 2.42198 2.43201 2.43758 2.43835 2.44471 2.44742 2.45285 2.45836 2.45862 2.46400 2.47426 2.48177 2.48923 2.49220 2.51039 2.51334 2.51759 2.52982 2.53205 2.53834 2.54215 2.54570 2.55295 2.56262 2.56490 2.56755 2.57069 2.57538 2.57865 2.58066 2.59811 2.60167 2.60470 2.60870 2.61266 2.61429 2.62415 2.62605 2.63171 2.64127 2.64973 2.65608 2.67027 2.68285 2.68657 2.68799 2.70235 2.70514 2.70831 2.71389 2.71731 2.72114 2.72403 2.72976 2.74282 2.74664 2.75072 2.75721 2.77453 2.78177 2.78735 2.80151 2.82941 2.83393 2.84483 2.85894 2.88845 2.89386 2.90627 2.91344 2.93061 2.95420 2.96440 3.02217 3.02773 3.03688 3.04225 3.06920 3.07641 3.08629 3.12667 3.13228 3.13920 3.14792 3.17071 3.19410 3.21045 3.21711 3.21838 3.22588 3.23663 3.23740 3.24249 3.24286 3.24648 3.27864 3.28521 3.28723 3.29780 3.32934 3.35043 3.35271 3.36714 3.37819 3.38337 3.40474 3.47993 3.48762 3.49454 3.49540 3.50871 3.62565 3.75441 3.75653 3.79894 3.88398 3.88491 3.88531 15.83910 -19.20778 -19.19887 -19.16348 -19.14286 -14.41065 -14.40669 -14.39212 -14.39164 -10.32551 -10.27054 -10.26864 -10.26079 -10.25069 -10.24485 -10.24361 -10.23386 -10.23364 -10.22537 -10.22487 -10.22288 -10.22255 -10.22081 -10.21704 -10.21607 -10.21593 -10.21308 -10.21227 -10.20494 -10.20434 -10.20046 -10.20039 -10.19956 -10.19938 -10.19687 -10.19661 -10.19616 -10.19593 -2.92279 -1.80220 -1.79770 -1.79679 -1.09075 -1.07939 -1.01096 -0.99099 -0.98023 -0.97314 -0.97161 -0.87018 -0.86931 -0.85397 -0.83507 -0.83407 -0.82697 -0.80213 -0.80137 -0.77977 -0.77896 -0.77807 -0.74586 -0.74533 -0.69366 -0.68297 -0.66230 -0.66191 -0.65539 -0.64168 -0.64085 -0.63638 -0.61453 -0.61383 -0.59362 -0.55615 -0.53922 -0.53671 -0.53385 -0.53348 -0.53115 -0.52898 -0.52239 -0.51591 -0.51063 -0.50371 -0.49635 -0.48821 -0.47946 -0.46844 -0.46717 -0.46379 -0.46252 -0.46094 -0.45479 -0.45238 -0.44845 -0.44442 -0.44216 -0.43807 -0.43180 -0.43066 -0.42839 -0.42746 -0.42199 -0.41535 -0.40905 -0.40326 -0.40199 -0.39949 -0.39323 -0.38808 -0.37779 -0.37464 -0.37089 -0.36745 -0.36186 -0.35206 -0.34813 -0.34445 -0.33214 -0.32907 -0.32677 -0.32267 -0.31443 -0.31399 -0.31223 -0.30787 -0.30385 -0.29068 -0.27985 -0.27629 -0.26738 -0.25729 -0.24409 -0.23999 -0.23788 -0.22748 -0.11467 -0.09076 -0.07621 -0.07040 -0.06493 -0.04957 -0.03968 -0.03616 -0.03328 -0.01020 -0.00928 0.00906 0.01260 0.01597 0.02503 0.02920 0.03100 0.04310 0.04380 0.06787 0.07098 0.08475 0.09412 0.10218 0.10784 0.10960 0.11115 0.11387 0.11784 0.11894 0.12335 0.13005 0.13529 0.13738 0.14139 0.14898 0.15176 0.15326 0.15779 0.15942 0.16582 0.16827 0.17087 0.17219 0.17429 0.17531 0.17860 0.17971 0.18219 0.18455 0.18843 0.19059 0.19385 0.19927 0.20257 0.20422 0.20850 0.21117 0.21336 0.21901 0.22094 0.22473 0.22799 0.23370 0.24247 0.24853 0.25031 0.25275 0.25485 0.26079 0.26273 0.26439 0.27024 0.27471 0.27707 0.28027 0.28304 0.28660 0.28786 0.28973 0.29135 0.30115 0.30598 0.31019 0.31333 0.31746 0.32027 0.32293 0.32864 0.33326 0.33981 0.34881 0.35350 0.35701 0.36427 0.36803 0.36989 0.37605 0.38791 0.39727 0.40750 0.42314 0.43012 0.43519 0.44492 0.45642 0.46208 0.46577 0.47594 0.48188 0.49555 0.50228 0.50772 0.51191 0.51273 0.51539 0.51935 0.52419 0.52587 0.52908 0.53269 0.54213 0.55081 0.55942 0.56316 0.56566 0.56874 0.57336 0.57582 0.57833 0.58227 0.58546 0.59259 0.59813 0.60375 0.60522 0.60680 0.60758 0.61289 0.61435 0.61824 0.61866 0.62276 0.62642 0.63276 0.63398 0.63984 0.64125 0.64690 0.65361 0.65814 0.66658 0.67816 0.68444 0.69265 0.69963 0.70490 0.71179 0.71862 0.72679 0.73426 0.74581 0.75034 0.75633 0.75840 0.75917 0.77223 0.77391 0.78901 0.79390 0.79871 0.80594 0.80622 0.80955 0.81258 0.81396 0.81562 0.81846 0.81964 0.82378 0.82558 0.82834 0.83010 0.83319 0.83467 0.83962 0.84040 0.85204 0.85437 0.86161 0.86737 0.87267 0.87511 0.87911 0.88336 0.88784 0.89489 0.90375 0.90917 0.91435 0.92890 0.93829 0.94646 0.95272 0.96295 0.96985 0.97592 0.97663 0.98436 0.98961 0.99429 0.99791 1.00666 1.00846 1.01060 1.02361 1.02548 1.03344 1.04408 1.04997 1.06145 1.06447 1.07121 1.07543 1.08274 1.08633 1.09171 1.09955 1.10165 1.10854 1.11577 1.12601 1.12752 1.13795 1.14632 1.14949 1.15304 1.15722 1.16441 1.16860 1.17905 1.18106 1.18482 1.19282 1.19317 1.20809 1.21224 1.21797 1.22037 1.22528 1.22786 1.22925 1.23390 1.23716 1.24166 1.24363 1.24949 1.26243 1.26532 1.27056 1.28179 1.28948 1.29085 1.30091 1.30817 1.31891 1.32497 1.32540 1.32653 1.33238 1.33685 1.34628 1.35267 1.35549 1.35734 1.35863 1.37183 1.37236 1.37685 1.37722 1.37954 1.39077 1.39375 1.39665 1.40086 1.40158 1.40422 1.40641 1.41083 1.41814 1.42835 1.43050 1.43296 1.43444 1.44873 1.45309 1.46644 1.47024 1.48378 1.48574 1.50042 1.50541 1.51404 1.51575 1.52483 1.53018 1.53864 1.55113 1.55627 1.57977 1.59378 1.60579 1.64845 1.67563 1.68482 1.69712 1.70335 1.71087 1.72939 1.73519 1.74217 1.74984 1.75245 1.75466 1.75721 1.76532 1.76640 1.77737 1.78386 1.79086 1.79729 1.80177 1.80434 1.80586 1.81421 1.82462 1.82840 1.83558 1.84135 1.85352 1.85874 1.86128 1.86479 1.87130 1.87672 1.88114 1.88381 1.88854 1.89116 1.89647 1.89811 1.90473 1.90985 1.92069 1.92428 1.92532 1.93086 1.93737 1.94482 1.94671 1.95482 1.95897 1.96048 1.96509 1.96711 1.97769 1.98550 1.98584 1.98706 1.99542 2.00685 2.00915 2.01627 2.01753 2.02053 2.03104 2.04794 2.05175 2.05470 2.05908 2.06684 2.07088 2.07865 2.09886 2.10790 2.11242 2.11406 2.12048 2.12815 2.14064 2.14299 2.14527 2.15363 2.16033 2.18274 2.19018 2.20066 2.21116 2.22012 2.22397 2.22425 2.22756 2.23282 2.24340 2.25297 2.25504 2.27162 2.27973 2.28155 2.28344 2.28709 2.29432 2.29886 2.30069 2.30709 2.31125 2.31591 2.32521 2.33012 2.33541 2.34357 2.35874 2.36571 2.36792 2.36838 2.37109 2.38050 2.38233 2.38490 2.38502 2.39897 2.40743 2.41200 2.41922 2.42018 2.42381 2.43430 2.43859 2.43929 2.44636 2.44846 2.45396 2.45913 2.45974 2.46499 2.47519 2.48207 2.49253 2.49376 2.51158 2.51455 2.51931 2.53106 2.53227 2.53937 2.54323 2.54678 2.55603 2.56461 2.56506 2.56888 2.57182 2.57542 2.57889 2.58075 2.60024 2.60231 2.60498 2.60915 2.61330 2.61532 2.62501 2.62680 2.63278 2.64206 2.65037 2.65690 2.67039 2.68356 2.68688 2.68807 2.70247 2.70513 2.70839 2.71394 2.71743 2.72122 2.72424 2.73023 2.74299 2.74666 2.75105 2.75750 2.77511 2.78186 2.78778 2.80196 2.82962 2.83410 2.84561 2.85921 2.88856 2.89406 2.90646 2.91366 2.93061 2.95435 2.96503 3.02225 3.02773 3.03718 3.04282 3.07007 3.07652 3.08633 3.12669 3.13254 3.13929 3.14813 3.17174 3.19612 3.21054 3.21713 3.21860 3.22595 3.23711 3.23792 3.24250 3.24286 3.24663 3.27866 3.28523 3.28740 3.29785 3.32943 3.35043 3.35271 3.36724 3.37817 3.38335 3.40481 3.47991 3.48762 3.49457 3.49545 3.50869 3.62580 3.75438 3.75650 3.79900 3.88402 3.88493 3.88531 15.84250 2-A. 2.1044 17.5964 0.0539 17.7219 -120.6330 -162.7960 -227.4531 0.1441 -3.3274 17.0175 49.6610 7.4980 -57.1590 0.1441 -3.3274 17.0175 2.7916 210.2580 48.2812 2.6510 -139.1550 -35.3131 7.4315 175.0765 -70.3359 -16.8875 -10547.1857 -4185.8595 -3290.5398 15.0183 -95.1181 -6.2989 73.4987 38.7766 196.2167 -2817.0772 -3401.9854 -1395.2181 78.1627 74.2687 31.5062 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-N195 CRAIGMI 2019-09-20T00:00:00.000+01:00 0 /home/michael/molsimp_comfiles/Ru_3a1_22_OOH/Ru_3a1_22_OOH.com auto generated 1 2 Version=ES64L-G09RevE.01 State=2-A HF=-1732.1124216 S2=0.754368 S2-1=0. S2A=0.750016 RMSD=2.604e-09 Dipole=0.8279289,6.9229702,0.0211992 Quadrupole=36.9217623,5.5745906,-42.4963529,0.1071512,-2.473851,12.652107 PG=C01 [X(C29H22N4O4Ru1)] 0 -0.066002 -0.090401 -0.390848 0 0.115782 -2.243021 3.154641 0 0.079817 -1.406115 2.233357 0 0.007369 -1.714272 0.968901 0 0.120914 0.071382 2.522193 0 0.220302 0.66232 3.777278 0 0.255248 2.05964 3.850991 0 0.190929 2.828563 2.688051 0 0.090216 2.179727 1.451469 0 0.005217 2.798669 0.118577 0 0.004678 4.173042 -0.121888 0 -0.078845 4.639603 -1.433608 0 -0.159925 3.71949 -2.479341 0 -0.15514 2.358301 -2.187149 0 -0.075797 1.90389 -0.920547 0 0.057487 0.827517 1.409303 0 0.270094 0.042578 4.664655 0 0.333729 2.550452 4.81449 0 0.217814 3.9102 2.740557 0 0.068913 4.865343 0.709152 0 -0.080598 5.705418 -1.632495 0 -0.226861 4.038649 -3.512682 0 -0.215811 1.602391 -2.960361 0 -0.379844 -0.815121 -2.16774 0 0.718428 -0.890634 -3.121363 0 1.489463 -0.59889 -2.594235 0 2.078367 -0.178301 -0.473851 0 2.889209 0.927732 -0.598235 0 4.258662 0.844564 -0.572023 0 4.894803 -0.414729 -0.41865 0 6.302276 -0.584731 -0.376145 0 6.837117 -1.848802 -0.224603 0 5.999108 -2.989191 -0.112143 0 4.627419 -2.855719 -0.151213 0 4.051379 -1.565278 -0.303201 0 2.650793 -1.377745 -0.336469 0 2.388396 1.877925 -0.721721 0 4.850865 1.748227 -0.670808 0 6.943886 0.28676 -0.462269 0 7.914435 -1.978366 -0.190586 0 6.447506 -3.970409 0.005862 0 3.975676 -3.719905 -0.065275 0 1.982928 -2.227294 -0.245052 0 -2.165711 -0.177242 -0.243423 0 -2.953304 0.896183 0.096967 0 -4.319971 0.806269 0.186187 0 -4.971669 -0.426722 -0.076927 0 -6.378047 -0.601942 -0.011586 0 -6.930054 -1.838179 -0.282618 0 -6.110465 -2.945181 -0.626313 0 -4.740559 -2.806075 -0.697402 0 -4.147394 -1.543643 -0.424972 0 -2.748175 -1.351156 -0.488457 0 -2.4397 1.827961 0.293459 0 -4.897326 1.683865 0.457327 0 -7.005084 0.244302 0.251885 0 -8.006334 -1.971503 -0.233163 0 -6.571632 -3.90547 -0.833859 0 -4.103405 -3.645251 -0.959951 0 -2.094419 -2.177647 -0.746246