Gaussian 16 GINC-CIBELES2-315 VALENTIN Optimization Tefluthrin-trans/ CONF88 gas EM64L-G16RevC.01 13-May-2023 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 41 41 106 106 686 (5D, 7F) 6-311+G(d,p) 117 117 C1[X(C17H14ClF7O2)] C1[X(C17H14ClF7O2)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 404.62252239999975 0 1 AuxInfo=1/0/N:11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;2;3;4;5;6;7;8;9;10;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0F0F0F0F0F0F0F0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:4.9739,-.7141,1.7866;5.4837,-2.5057,-.5757;6.7175,-.7498,-.6715;5.109,-1.0095,-2.0804;-2.6802,-2.237,.3146;-4.1792,2.2064,.4462;-6.2357,1.5586,-1.1297;-4.7333,-2.8843,-1.2695;-1.1042,.6291,.5172;.1418,.8866,2.3536;2.0718,2.3268,.3429;2.5637,.9364,.6383;1.1313,1.1537,.1888;2.4909,3.0176,-.9337;1.9436,3.2786,1.5075;3.4925,.2351,-.2507;.0412,.8836,1.1562;4.5374,-.4881,.1358;-2.2338,.3448,1.3433;5.4662,-1.1924,-.8068;-3.3776,-.0014,.442;-3.5488,-1.2919,-.0337;-4.3028,.9461,.0356;-5.3678,.61,-.7805;-4.6122,-1.6252,-.8509;-5.552,-.6838,-1.2426;-6.6982,-1.0437,-2.1382;2.6709,.7146,1.6937;.895,.8834,-.8344;2.5114,2.3547,-1.7981;3.4853,3.4528,-.8255;1.7967,3.8263,-1.1657;2.8888,3.8036,1.6524;1.6932,2.781,2.4403;1.1766,4.0293,1.3091;3.3152,.3073,-1.3164;-2.4753,1.2081,1.9641;-2.011,-.4827,2.018;-6.4147,-.944,-3.1869;-7.0173,-2.0711,-1.9813;-7.5549,-.3969,-1.9671; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/valentin/opt-b3lyp-pople.com-5087985/Gau-11877.inp" -scrdir="/temporal/valentin/opt-b3lyp-pople.com-5087985/" chk=/home/valentin/Almacen/Insecticides/G3/Tefluthrin-trans/gaussian/gas/CONF88 #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4//1 5/5=2,38=5/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization Tefluthrin-trans/ CONF88 gas 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 35 19 19 19 19 19 19 19 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 18.9984033 18.9984033 18.9984033 18.9984033 18.9984033 18.9984033 18.9984033 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 1 2 3 4 5 6 7 8 9 9 10 11 11 11 11 12 12 12 13 13 14 14 14 15 15 15 16 16 18 19 19 19 21 21 22 23 24 25 26 27 27 27 18 20 20 20 22 23 24 25 17 19 17 12 13 14 15 13 16 28 17 29 30 31 32 33 34 35 18 36 20 21 37 38 22 23 25 24 26 26 27 39 40 41 1.7224 1.3336 1.3342 1.3353 1.33 1.3313 1.3323 1.3324 1.3361 1.428 1.2017 1.5042 1.5114 1.5108 1.5095 1.5169 1.4645 1.0838 1.4823 1.0844 1.0895 1.0909 1.0908 1.0909 1.0864 1.0914 1.3283 1.0828 1.4991 1.4968 1.0904 1.0907 1.386 1.3853 1.382 1.3832 1.3861 1.3867 1.4985 1.0909 1.0872 1.087 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 17 12 12 13 13 14 11 11 13 13 16 11 11 12 12 17 11 11 11 30 30 31 11 11 11 33 33 34 12 12 18 9 9 10 1 1 16 9 9 9 21 21 37 2 2 2 3 3 4 19 19 22 5 5 21 6 6 21 7 7 23 8 8 22 24 24 25 26 26 26 39 39 40 9 11 11 11 11 11 12 12 12 12 12 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 27 27 27 19 14 15 14 15 15 16 28 16 28 28 17 29 17 29 29 30 31 32 31 32 32 33 34 35 34 35 35 18 36 36 10 13 13 16 20 20 21 37 38 37 38 38 3 4 18 4 18 18 22 23 23 21 25 25 21 24 24 23 26 26 22 26 26 25 27 27 39 40 41 40 41 41 116.0647 119.8572 117.3287 116.1902 121.0115 112.7808 122.0622 114.3821 119.1806 114.2859 115.4919 122.1721 115.169 118.3582 116.7261 114.2119 113.4185 110.5819 110.0084 107.716 107.1138 107.7839 109.4096 113.1573 110.6816 107.818 107.577 108.0062 125.6605 117.4953 116.8441 123.2864 110.6766 126.037 123.3461 112.5837 124.07 107.5872 110.2999 110.3203 110.8971 110.6755 107.0857 107.2667 107.6788 111.2137 107.5883 111.1881 111.6952 121.0915 121.9267 116.9793 119.4173 119.0761 121.5021 119.671 118.917 121.4083 118.8893 119.3835 121.7272 118.921 119.4202 121.6588 116.7049 121.6747 121.6141 110.7157 111.4194 111.4578 107.5407 107.5669 107.961 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 19 19 17 17 17 14 14 15 15 14 14 15 15 12 12 12 13 13 13 15 15 15 12 12 12 13 13 13 14 14 14 16 16 28 28 11 11 13 13 28 28 11 11 12 12 29 29 12 12 36 36 1 1 1 16 16 16 9 9 37 37 38 38 19 19 23 23 19 19 22 22 5 5 21 21 6 6 21 21 7 7 23 23 8 8 22 22 24 24 24 25 25 25 9 9 9 9 9 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 16 16 16 16 18 18 18 18 18 18 19 19 19 19 19 19 21 21 21 21 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 26 26 17 17 19 19 19 12 12 12 12 13 13 13 13 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 13 13 13 13 16 16 16 16 16 16 17 17 17 17 17 17 18 18 18 18 20 20 20 20 20 20 21 21 21 21 21 21 22 22 22 22 23 23 23 23 25 25 25 25 24 24 24 24 26 26 26 26 26 26 26 26 27 27 27 27 27 27 10 13 21 37 38 16 28 16 28 17 29 17 29 30 31 32 30 31 32 30 31 32 33 34 35 33 34 35 33 34 35 17 29 17 29 18 36 18 36 18 36 9 10 9 10 9 10 1 20 1 20 2 3 4 2 3 4 22 23 22 23 22 23 5 25 5 25 6 24 6 24 8 26 8 26 7 26 7 26 25 27 25 27 24 27 24 27 39 40 41 39 40 41 -0.3699 179.6724 -176.1652 62.7563 -55.3448 2.6164 149.9126 -140.4376 6.8587 -142.6489 3.5454 0.3992 146.5935 39.8941 -81.2284 159.8281 -29.4706 -150.593 90.4634 -175.497 63.3805 -55.5631 88.8263 -31.41 -152.7981 159.0632 38.8269 -82.5612 -56.7445 -176.9808 61.6311 135.0514 -7.4681 -7.3947 -149.9142 137.5753 -42.5786 -151.3999 28.4461 -9.3874 170.4586 133.1933 -46.763 -156.7171 23.3266 -13.2941 166.7497 -0.1806 179.9821 179.9725 0.1352 59.4466 -60.0215 179.779 -120.7006 119.8313 -0.3682 84.9687 -94.441 -154.328 26.2623 -35.628 144.9622 -0.146 179.0728 179.2919 -1.4893 0.324 -178.9692 -179.1088 1.598 -0.2178 179.7516 -179.4392 0.5303 0.007 179.9462 179.3055 -0.7553 179.6816 0.5781 -0.2572 -179.3608 -179.6631 -0.559 0.3675 179.4717 91.0716 -149.2931 -28.6219 -87.988 31.6473 152.3184 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 0.10000e-02 0.10000e-05 F 713 A 686 A 1101 713 2664.9103640915 41 1.00e+00 60 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 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 NBasis= 686 RedAO= T EigKep= 1.16D-06 NBF= 686 NBsUse= 685 1.00D-06 EigRej= 8.87D-07 NBFU= 685 Berny optimization. local minimum Step number 13 out of a maximum of 218 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00113 0.00191 0.00594 0.00695 0.00774 0.00864 0.00995 0.01270 0.01601 0.01697 0.01794 0.01942 0.02032 0.02064 0.02264 0.02277 0.02288 0.02297 0.02299 0.02302 0.02307 0.02435 0.02534 0.02831 0.03034 0.04277 0.04708 0.05198 0.05516 0.05578 0.05857 0.05935 0.06703 0.06723 0.07253 0.07382 0.09654 0.10415 0.10857 0.11217 0.12456 0.13765 0.14206 0.15354 0.15974 0.15997 0.16000 0.16002 0.16003 0.16007 0.16016 0.16086 0.16144 0.16514 0.18159 0.18614 0.21568 0.22151 0.22822 0.23861 0.24426 0.24752 0.24977 0.24999 0.24999 0.25000 0.25000 0.25000 0.25002 0.25009 0.25011 0.25175 0.25301 0.26496 0.26732 0.28735 0.29867 0.30719 0.31323 0.31584 0.32213 0.32537 0.33458 0.34078 0.34653 0.34695 0.34711 0.34714 0.34737 0.34741 0.34870 0.34914 0.35139 0.35155 0.35377 0.35481 0.35543 0.35619 0.36353 0.37883 0.38883 0.43984 0.44136 0.48004 0.48065 0.48430 0.49795 0.52319 0.58423 0.58658 0.58952 0.59077 0.59373 0.59853 0.60224 0.62943 1.03837 -6.71053332e-09 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 3.30337 2.55179 2.55310 2.55519 2.54042 2.54152 2.54538 2.54483 2.55963 2.74330 2.28412 2.86948 2.88105 2.86977 2.86765 2.89617 2.76995 2.04721 2.80490 2.04665 2.06217 2.06745 2.06660 2.06720 2.05780 2.06842 2.52098 2.04766 2.84932 2.83075 2.05939 2.05926 2.63030 2.63047 2.62324 2.62257 2.63183 2.63154 2.84208 2.06790 2.05964 2.05921 2.01317 2.09409 2.04227 2.02818 2.09934 1.97737 2.13946 1.99325 2.08033 1.97653 2.02195 2.12572 2.01904 2.05765 2.04749 1.99084 1.97408 1.92451 1.91560 1.88576 1.87702 1.88413 1.90998 1.96012 1.92419 1.89488 1.88302 1.88981 2.20384 2.05663 2.02271 2.15051 1.92704 2.20562 2.16208 1.97872 2.14239 1.86954 1.90368 1.90404 1.94268 1.94386 1.89927 1.86672 1.87004 1.95396 1.86926 1.95290 1.94593 2.12429 2.11961 2.03903 2.08710 2.07591 2.12016 2.08547 2.07645 2.12125 2.07369 2.08316 2.12634 2.07392 2.08202 2.12724 2.03230 2.12647 2.12436 1.92699 1.93139 1.93203 1.88091 1.88252 1.90861 0.00175 -3.13303 3.10657 1.00202 -1.07044 0.04153 2.63711 -2.46766 0.12792 -2.49408 0.05671 0.00042 2.55122 0.68322 -1.43042 2.77934 -0.52998 -2.64362 1.56614 -3.06895 1.10060 -0.97283 1.52632 -0.57936 -2.68845 2.74730 0.64162 -1.46747 -1.02399 -3.12967 1.04443 2.35132 -0.13465 -0.11990 -2.60588 2.48551 -0.65410 -2.55633 0.58724 -0.10184 3.04172 2.29982 -0.83469 -2.76615 0.38252 -0.25966 2.88901 0.00202 -3.13796 -3.14151 0.00169 1.04714 -1.04822 -3.14127 -2.09591 2.09192 -0.00113 1.59442 -1.52191 -2.60919 0.55766 -0.48627 2.68059 0.01931 -3.12752 3.13675 -0.01008 -0.01953 3.12703 -3.13704 0.00952 -0.00021 3.14039 -3.13659 0.00401 0.00064 -3.13951 3.13729 -0.00286 3.13954 0.00949 -0.00350 -3.13355 -3.13965 -0.00958 0.00294 3.13301 1.58904 -2.61323 -0.49429 -1.54041 0.54051 2.65945 0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 -0.00001 0.00001 -0.00001 -0.00002 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00002 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 0.00002 0.00007 -0.00002 -0.00001 -0.00003 0.00001 -0.00001 0.00003 -0.00001 0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00003 -0.00002 -0.00001 -0.00000 0.00001 0.00000 0.00000 0.00001 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00003 -0.00002 0.00002 -0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00002 0.00001 -0.00002 0.00003 -0.00003 -0.00000 0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00001 0.00000 -0.00003 0.00001 0.00003 -0.00002 -0.00002 -0.00003 0.00002 0.00002 0.00002 -0.00001 -0.00002 0.00002 -0.00003 0.00002 0.00002 -0.00002 0.00001 0.00001 -0.00000 0.00001 -0.00000 0.00001 -0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00001 0.00001 0.00001 0.00000 -0.00001 -0.00002 -0.00000 -0.00002 0.00001 0.00000 0.00001 -0.00002 0.00001 0.00000 0.00003 -0.00006 -0.00001 -0.00007 -0.00002 0.00014 0.00013 0.00013 0.00012 0.00011 0.00011 0.00012 0.00012 0.00012 -0.00002 -0.00001 -0.00002 0.00002 0.00003 0.00002 0.00001 0.00002 0.00001 0.00001 0.00003 0.00001 0.00003 -0.00002 -0.00003 -0.00004 -0.00004 -0.00005 -0.00005 0.00023 0.00021 0.00020 0.00018 0.00017 0.00015 -0.00001 -0.00002 -0.00000 -0.00001 0.00002 0.00001 0.00002 0.00003 0.00002 0.00003 -0.00024 -0.00022 -0.00025 -0.00023 -0.00020 -0.00018 0.00002 0.00002 0.00000 0.00000 -0.00001 -0.00002 0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00016 -0.00015 -0.00015 -0.00016 -0.00014 -0.00015 0.00001 0.00001 0.00001 0.00002 0.00000 0.00000 0.00000 0.00000 -0.00002 0.00000 0.00001 -0.00000 0.00002 0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00005 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00002 -0.00001 0.00007 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00007 -0.00001 -0.00001 0.00001 -0.00003 -0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00001 -0.00001 0.00002 -0.00002 -0.00000 0.00000 0.00001 0.00001 0.00000 -0.00002 -0.00001 0.00001 0.00001 0.00006 -0.00001 -0.00005 0.00001 -0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00004 0.00007 -0.00005 0.00007 -0.00004 -0.00008 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00001 0.00000 0.00002 -0.00003 -0.00003 -0.00002 0.00002 0.00001 0.00009 0.00008 -0.00005 -0.00002 0.00001 0.00004 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00008 -0.00008 -0.00008 -0.00008 -0.00008 -0.00009 -0.00007 -0.00007 -0.00008 -0.00002 -0.00002 -0.00003 -0.00009 -0.00003 -0.00009 -0.00002 0.00009 0.00010 0.00010 0.00011 0.00009 0.00010 -0.00004 -0.00002 -0.00003 -0.00001 -0.00007 -0.00006 0.00000 0.00000 -0.00001 -0.00001 0.00002 0.00003 0.00002 0.00002 0.00003 0.00003 0.00002 0.00000 0.00002 0.00000 0.00002 0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00019 -0.00019 -0.00018 -0.00019 -0.00018 -0.00018 0.00001 -0.00001 -0.00001 0.00001 -0.00001 -0.00001 -0.00001 -0.00001 0.00000 0.00007 -0.00001 -0.00001 -0.00001 0.00002 0.00000 0.00003 -0.00000 -0.00000 0.00002 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00002 -0.00001 -0.00001 -0.00000 0.00001 0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00003 0.00001 -0.00002 0.00008 -0.00003 0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00005 0.00001 -0.00005 0.00001 -0.00002 0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00002 -0.00000 -0.00001 -0.00000 0.00000 0.00002 -0.00001 -0.00001 -0.00000 -0.00001 0.00001 0.00003 -0.00000 -0.00003 -0.00001 -0.00002 -0.00003 0.00003 0.00002 0.00002 0.00003 0.00005 -0.00003 0.00005 -0.00002 -0.00007 -0.00002 0.00001 0.00001 -0.00000 0.00001 -0.00000 0.00001 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00001 -0.00002 0.00001 0.00001 0.00001 0.00000 0.00001 -0.00002 -0.00001 0.00000 -0.00001 -0.00002 -0.00003 -0.00002 -0.00001 0.00002 0.00009 0.00011 -0.00011 -0.00003 -0.00007 0.00002 0.00012 0.00012 0.00012 0.00012 0.00012 0.00012 0.00004 0.00004 0.00003 -0.00010 -0.00009 -0.00011 -0.00005 -0.00005 -0.00006 -0.00001 -0.00000 -0.00001 -0.00008 0.00000 -0.00008 0.00001 0.00007 0.00007 0.00006 0.00006 0.00005 0.00005 0.00019 0.00018 0.00018 0.00017 0.00010 0.00009 -0.00000 -0.00002 -0.00001 -0.00002 0.00004 0.00004 0.00004 0.00005 0.00005 0.00005 -0.00022 -0.00021 -0.00024 -0.00023 -0.00018 -0.00018 0.00001 0.00001 0.00001 0.00001 0.00000 -0.00001 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00001 -0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00035 -0.00033 -0.00033 -0.00034 -0.00033 -0.00033 3.30339 2.55178 2.55309 2.55521 2.54041 2.54151 2.54537 2.54482 2.55963 2.74337 2.28412 2.86947 2.88104 2.86978 2.86765 2.89620 2.76994 2.04720 2.80492 2.04665 2.06218 2.06745 2.06660 2.06720 2.05779 2.06842 2.52098 2.04766 2.84930 2.83073 2.05938 2.05926 2.63030 2.63047 2.62325 2.62258 2.63183 2.63154 2.84208 2.06790 2.05964 2.05922 2.01316 2.09406 2.04227 2.02817 2.09941 1.97734 2.13947 1.99325 2.08032 1.97651 2.02196 2.12577 2.01905 2.05761 2.04750 1.99082 1.97409 1.92451 1.91560 1.88576 1.87702 1.88413 1.90997 1.96014 1.92418 1.89487 1.88302 1.88981 2.20385 2.05663 2.02270 2.15050 1.92703 2.20563 2.16211 1.97872 2.14236 1.86953 1.90365 1.90401 1.94271 1.94388 1.89929 1.86675 1.87009 1.95393 1.86931 1.95288 1.94586 2.12427 2.11962 2.03904 2.08710 2.07592 2.12016 2.08548 2.07645 2.12124 2.07369 2.08316 2.12634 2.07392 2.08203 2.12724 2.03231 2.12645 2.12437 1.92700 1.93140 1.93203 1.88091 1.88250 1.90860 0.00175 -3.13304 3.10656 1.00199 -1.07046 0.04153 2.63713 -2.46757 0.12803 -2.49419 0.05668 0.00036 2.55123 0.68334 -1.43031 2.77945 -0.52986 -2.64350 1.56626 -3.06891 1.10063 -0.97279 1.52622 -0.57946 -2.68855 2.74725 0.64157 -1.46753 -1.02400 -3.12968 1.04441 2.35124 -0.13465 -0.11998 -2.60586 2.48558 -0.65403 -2.55627 0.58730 -0.10180 3.04177 2.30002 -0.83451 -2.76598 0.38268 -0.25956 2.88910 0.00202 -3.13798 -3.14152 0.00167 1.04718 -1.04818 -3.14123 -2.09585 2.09197 -0.00108 1.59420 -1.52212 -2.60943 0.55743 -0.48645 2.68041 0.01933 -3.12751 3.13676 -0.01007 -0.01953 3.12703 -3.13703 0.00952 -0.00021 3.14039 -3.13660 0.00400 0.00063 -3.13952 3.13729 -0.00286 3.13953 0.00949 -0.00351 -3.13355 -3.13964 -0.00958 0.00295 3.13301 1.58869 -2.61356 -0.49463 -1.54075 0.54019 2.65912 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000020 0.000003 0.001140 0.000309 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -6.530222e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 1 2 3 4 5 6 7 8 9 9 10 11 11 11 11 12 12 12 13 13 14 14 14 15 15 15 16 16 18 19 19 19 21 21 22 23 24 25 26 27 27 27 18 20 20 20 22 23 24 25 17 19 17 12 13 14 15 13 16 28 17 29 30 31 32 33 34 35 18 36 20 21 37 38 22 23 25 24 26 26 27 39 40 41 1.7481 1.3503 1.351 1.3521 1.3443 1.3449 1.347 1.3467 1.3545 1.4517 1.2087 1.5185 1.5246 1.5186 1.5175 1.5326 1.4658 1.0833 1.4843 1.083 1.0913 1.094 1.0936 1.0939 1.0889 1.0946 1.334 1.0836 1.5078 1.498 1.0898 1.0897 1.3919 1.392 1.3882 1.3878 1.3927 1.3925 1.504 1.0943 1.0899 1.0897 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 17 12 12 13 13 14 11 11 13 13 16 11 11 12 12 17 11 11 11 30 30 31 11 11 11 33 33 34 12 12 18 9 9 10 1 1 16 9 9 9 21 21 37 2 2 2 3 3 4 19 19 22 5 5 21 6 6 21 7 7 23 8 8 22 24 24 25 26 26 26 39 39 40 9 11 11 11 11 11 12 12 12 12 12 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 27 27 27 19 14 15 14 15 15 16 28 16 28 28 17 29 17 29 29 30 31 32 31 32 32 33 34 35 34 35 35 18 36 36 10 13 13 16 20 20 21 37 38 37 38 38 3 4 18 4 18 18 22 23 23 21 25 25 21 24 24 23 26 26 22 26 26 25 27 27 39 40 41 40 41 41 115.3462 119.9826 117.0132 116.2063 120.2831 113.295 122.5823 114.205 119.1938 113.2468 115.8491 121.7949 115.6822 117.8948 117.3123 114.0668 113.1067 110.2661 109.7558 108.0462 107.5454 107.9526 109.4336 112.3069 110.2478 108.5686 107.8892 108.2782 126.2706 117.8364 115.8929 123.215 110.4112 126.3726 123.8779 113.3723 122.7498 107.1165 109.0726 109.0935 111.3074 111.3749 108.8201 106.9549 107.1456 111.9534 107.1006 111.8931 111.4935 121.7128 121.4447 116.8277 119.582 118.941 121.4763 119.4889 118.9717 121.5388 118.8135 119.3561 121.8304 118.8269 119.291 121.882 116.4421 121.8376 121.7169 110.4085 110.6607 110.6969 107.768 107.8605 109.3551 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 19 19 17 17 17 14 14 15 15 14 14 15 15 12 12 12 13 13 13 15 15 15 12 12 12 13 13 13 14 14 14 16 16 28 28 11 11 13 13 28 28 11 11 12 12 29 29 12 12 36 36 1 1 1 16 16 16 9 9 37 37 38 38 19 19 23 23 19 19 22 22 5 5 21 21 6 6 21 21 7 7 23 23 8 8 22 22 24 24 24 25 25 9 9 9 9 9 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 16 16 16 16 18 18 18 18 18 18 19 19 19 19 19 19 21 21 21 21 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 26 17 17 19 19 19 12 12 12 12 13 13 13 13 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 13 13 13 13 16 16 16 16 16 16 17 17 17 17 17 17 18 18 18 18 20 20 20 20 20 20 21 21 21 21 21 21 22 22 22 22 23 23 23 23 25 25 25 25 24 24 24 24 26 26 26 26 26 26 26 26 27 27 27 27 27 10 13 21 37 38 16 28 16 28 17 29 17 29 30 31 32 30 31 32 30 31 32 33 34 35 33 34 35 33 34 35 17 29 17 29 18 36 18 36 18 36 9 10 9 10 9 10 1 20 1 20 2 3 4 2 3 4 22 23 22 23 22 23 5 25 5 25 6 24 6 24 8 26 8 26 7 26 7 26 25 27 25 27 24 27 24 27 39 40 41 39 40 0.1002 -179.5097 177.9936 57.4117 -61.3318 2.3796 151.0951 -141.3863 7.3291 -142.9005 3.2494 0.0242 146.1741 39.1454 -81.9573 159.2442 -30.3655 -151.4683 89.7333 -175.8378 63.0595 -55.739 87.4518 -33.1949 -154.0367 157.4088 36.7621 -84.0797 -58.6704 -179.3171 59.8412 134.7208 -7.7151 -6.8698 -149.3056 142.4094 -37.4774 -146.467 33.6462 -5.8352 174.278 131.7703 -47.8244 -158.4889 21.9165 -14.8773 165.5281 0.116 -179.7919 -179.9952 0.0968 59.9967 -60.0587 -179.9815 -120.0866 119.858 -0.0648 91.3535 -87.199 -149.4957 31.9518 -27.8612 153.5863 1.1067 -179.1934 179.7228 -0.5773 -1.1188 179.1657 -179.7389 0.5456 -0.0118 179.9314 -179.7136 0.2296 0.0366 -179.8809 179.7535 -0.1641 179.8822 0.5435 -0.2007 -179.5394 -179.8884 -0.5489 0.1686 179.5082 91.0452 -149.7271 -28.3208 -88.2587 30.969 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 Grimme-D3 -0.0428059077 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 0 404.62252239999975 AuxInfo=1/0/N:11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;2;3;4;5;6;7;8;9;10;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0F0F0F0F0F0F0F0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:4.9739,-.7141,1.7866;5.4837,-2.5057,-.5757;6.7175,-.7498,-.6715;5.109,-1.0095,-2.0804;-2.6802,-2.237,.3146;-4.1792,2.2064,.4462;-6.2357,1.5586,-1.1297;-4.7333,-2.8842,-1.2695;-1.1042,.6291,.5172;.1418,.8866,2.3536;2.0718,2.3268,.3429;2.5637,.9364,.6383;1.1313,1.1537,.1888;2.4909,3.0176,-.9337;1.9436,3.2786,1.5075;3.4925,.2351,-.2507;.0412,.8836,1.1562;4.5374,-.4881,.1358;-2.2338,.3448,1.3433;5.4662,-1.1924,-.8068;-3.3776,-.0014,.442;-3.5488,-1.2919,-.0337;-4.3028,.9461,.0356;-5.3678,.61,-.7805;-4.6122,-1.6252,-.8509;-5.552,-.6838,-1.2426;-6.6982,-1.0437,-2.1382;2.6709,.7146,1.6937;.895,.8834,-.8344;2.5114,2.3547,-1.7981;3.4853,3.4528,-.8255;1.7967,3.8263,-1.1657;2.8888,3.8036,1.6524;1.6932,2.781,2.4403;1.1766,4.0293,1.3091;3.3152,.3073,-1.3164;-2.4753,1.2081,1.9641;-2.011,-.4827,2.018;-6.4147,-.944,-3.1869;-7.0173,-2.0711,-1.9813;-7.5549,-.3969,-1.9671; 0.000000 3.008380 0.000000 3.013886 2.148218 0.000000 3.880591 2.154796 2.154031 0.000000 7.941767 8.216729 9.565665 8.241052 0.000000 9.700803 10.799117 11.345808 10.148743 4.691345 0.000000 11.803547 12.416500 13.165243 11.670504 5.397607 2.670544 0.000000 10.405690 10.247502 11.663375 10.051996 2.672692 5.400509 4.692113 0.000000 6.352865 7.377145 8.030805 6.930843 3.277115 3.456691 5.468805 5.357776 0.000000 5.121798 6.973149 7.420840 6.923050 4.677459 4.904226 7.297719 7.149315 2.234121 0.000000 4.444520 5.986555 5.663699 5.121351 6.588720 6.253006 8.471826 8.721455 3.605506 3.137192 0.000000 3.138752 4.674251 4.670437 4.201953 6.137939 6.864167 8.996743 8.454754 3.682761 2.968220 1.504170 0.000000 4.561425 5.737481 5.963934 5.064607 5.103018 5.420028 7.495000 7.268087 2.319655 2.395187 1.511448 1.516863 0.000000 5.243117 6.292201 5.667967 4.938282 7.477297 6.859509 8.849864 9.334516 4.553573 4.567891 1.510781 2.609146 2.565651 0.000000 5.020171 7.094395 6.615593 6.424978 7.295502 6.305895 8.764255 9.501159 4.158056 3.111871 1.509464 2.574053 2.629418 2.515347 0.000000 2.691865 3.403362 3.398224 2.740427 6.673347 7.951530 9.857029 8.856157 4.677030 4.293480 2.597317 1.464509 2.571355 3.035063 3.840956 0.000000 5.223174 6.641388 7.112071 6.304120 4.225274 4.479494 6.714132 6.548002 1.336066 1.201651 2.620595 2.575651 1.482287 3.862955 3.078666 3.783024 0.000000 1.722354 2.339332 2.339453 2.347384 7.428667 9.128904 11.038569 9.677922 5.763830 5.111736 3.747847 2.485434 3.781489 4.197860 4.774676 1.328313 4.810282 0.000000 7.298545 8.447990 9.240343 8.214197 2.814907 2.838134 4.858367 4.847810 1.428026 2.637747 4.844294 4.884986 3.648482 5.886544 5.107263 5.945038 2.345415 6.928308 0.000000 2.682681 1.333604 1.334198 1.335316 8.289319 10.303206 12.025213 10.349172 6.945579 6.531428 5.022847 3.878744 5.028534 5.156775 6.144467 2.498520 6.131370 1.499064 8.141017 0.000000 8.489009 9.264474 10.183894 8.910760 2.345363 2.348841 3.615576 3.616370 2.360387 4.102297 5.926735 6.018062 4.661433 6.741399 6.340986 6.908985 3.602979 7.935894 1.496814 9.010600 0.000000 8.733996 9.129772 10.300351 8.900886 1.330029 3.586894 4.067683 2.337964 3.157411 4.905613 6.695309 6.540555 5.285216 7.473897 7.309554 7.208189 4.363055 8.127796 2.510777 9.048586 1.385976 0.000000 9.585400 10.395450 11.172481 9.843001 3.583737 1.331258 2.338548 4.069425 3.250167 5.013132 6.529658 6.892938 5.440302 7.168379 6.828195 7.832915 4.486672 8.956412 2.520426 10.035776 1.385282 2.362624 0.000000 10.737452 11.291760 12.162024 10.680587 4.065417 2.337963 1.332332 3.584863 4.456700 6.344646 7.717267 8.063964 6.593443 8.220635 8.112439 8.883982 5.751736 10.007905 3.795085 10.982881 2.414363 2.735614 1.383150 0.000000 9.983989 10.138009 11.364944 9.818013 2.337813 4.068265 3.584652 1.332382 4.388540 6.259267 7.856154 7.763580 6.464628 8.486260 8.519781 8.337107 5.654783 9.272685 3.788435 10.087808 2.415060 1.381985 2.737320 2.360409 0.000000 10.953130 11.204945 12.282971 10.698817 3.617264 3.617971 2.347028 2.348005 4.960150 6.915065 8.348601 8.486874 7.077567 8.859100 8.913263 9.144981 6.284472 10.185017 4.330755 11.038513 2.834019 2.417500 2.418824 1.386084 1.386654 0.000000 12.318746 12.368467 13.498910 11.807442 4.856431 4.856726 2.829002 2.829037 6.414238 8.407662 9.717479 9.869817 8.458473 10.118568 10.327327 10.442654 7.745167 11.476943 5.829268 12.237983 4.332529 3.796060 3.797730 2.519546 2.519294 1.498518 0.000000 2.711724 4.840702 4.910551 4.812538 6.264841 7.120816 9.381384 8.749488 3.955113 2.619416 2.187030 1.083793 2.197219 3.498497 2.671685 2.164630 2.689384 2.712438 4.931075 4.207460 6.217998 6.759696 7.171872 8.411452 8.061817 8.842674 10.274027 0.000000 5.104798 5.710439 6.049420 4.784681 4.882565 5.397985 7.168642 6.786868 2.426616 3.275811 2.203296 2.226274 1.084401 2.666773 3.510136 2.740053 2.165993 4.011196 3.849953 5.020496 4.546142 5.011975 5.270525 6.268953 6.051658 6.647261 7.941704 3.094153 0.000000 5.322732 5.826926 5.347805 4.259753 7.245709 7.058515 8.808568 8.956052 4.627180 5.000663 2.185812 2.819620 2.700860 1.089477 3.478871 2.801726 4.122314 3.990843 6.035290 4.721851 6.726770 7.289439 7.195825 8.133884 8.214760 8.634724 9.822506 3.861111 2.388752 0.000000 5.138268 6.289665 5.303994 4.911521 8.466894 7.868686 9.908485 10.387526 5.553408 5.279337 2.152015 3.053584 3.443273 1.090861 2.801843 3.268617 4.731798 4.190705 6.860902 5.049960 7.787053 8.521587 8.226828 9.298438 9.558079 9.947776 11.209226 3.808917 3.648550 1.760749 0.000000 6.278978 7.350963 6.737882 5.932361 7.681067 6.397994 8.346436 9.363939 4.633577 4.875058 2.144749 3.492015 3.069278 1.090775 2.732663 4.075467 4.139142 5.274452 5.887378 6.227469 6.634008 7.486768 6.851535 7.862771 8.419770 8.622667 9.840085 4.315489 3.095778 1.753898 1.762560 0.000000 4.977439 7.176720 6.386889 6.482945 8.324242 7.345947 9.799765 10.552755 5.225939 4.067738 2.136140 3.058552 3.500406 2.732004 1.090934 4.089018 4.108687 4.841137 6.188672 6.135994 7.430393 8.381448 7.905626 9.180907 9.591822 9.988208 11.391936 3.096988 4.322874 3.761290 2.572726 3.022372 0.000000 4.837982 7.170360 6.884284 6.817065 6.987612 6.228337 8.780990 9.335837 4.019315 2.450153 2.179150 2.721690 2.834309 3.475056 1.086448 4.118321 2.824592 4.907900 4.749728 6.369244 6.119488 7.084300 6.715812 8.058815 8.366893 8.835248 10.296011 2.404917 3.868101 4.337615 3.785308 3.755867 1.759505 0.000000 6.094866 8.050511 7.580528 7.234801 7.425054 5.722967 8.184941 9.453740 4.170240 3.469637 2.152531 3.455453 3.086516 2.789488 1.091428 4.710877 3.347828 5.751447 5.020699 7.081262 6.143222 7.242034 6.414995 7.673787 8.375503 8.602222 9.981606 3.656304 3.817222 3.773661 3.196779 2.559397 1.760820 1.762011 0.000000 3.663783 3.628285 3.620711 2.352774 6.714046 7.929632 9.634242 8.658246 4.795469 4.886184 2.894447 2.186633 2.784060 2.858567 4.322506 1.082772 4.143021 2.058093 6.153586 2.671301 6.926797 7.163524 7.763360 8.704691 8.172795 8.922650 10.137481 3.105120 2.534022 2.251669 3.188111 3.835589 4.606464 4.781521 5.031927 0.000000 7.695237 9.142689 9.761512 8.876763 3.825170 2.490771 4.882037 5.683484 2.075700 2.665386 4.955341 5.217550 4.020241 6.027790 4.901165 6.439431 2.662833 7.442967 1.090357 8.746843 2.143272 3.375380 2.669742 4.031983 4.529653 4.829916 6.303388 5.176855 4.392710 6.350986 6.953372 5.907665 5.967168 4.480766 4.660935 6.715815 0.000000 6.992540 8.184773 9.137365 8.232173 2.535207 3.795154 5.650011 4.897567 2.076216 2.573343 5.231471 4.984491 3.987218 6.421173 5.481434 5.995877 2.611704 6.813532 1.090705 8.024422 2.140780 2.688653 3.350219 4.504841 4.037591 4.817760 6.289625 4.843394 4.295031 6.562395 7.333707 6.572841 6.520259 4.954928 5.569684 6.333261 1.754231 0.000000 12.429302 12.281230 13.372342 11.576862 5.280003 5.302969 3.244592 3.204372 6.663001 8.776982 9.755880 9.938756 8.528636 10.004018 10.475061 10.400150 7.992528 11.454110 6.297896 12.119459 4.825080 4.275199 4.291471 3.049818 3.028162 2.142919 1.090891 10.445965 7.893315 9.616873 11.086829 9.709174 11.511410 10.548871 10.127930 9.986675 6.832460 6.833458 0.000000 12.642278 12.587284 13.860264 12.173088 4.910084 5.678441 3.809377 2.526779 6.964051 8.876505 10.361223 10.378001 9.028227 10.835056 11.003983 10.898130 8.270224 11.853258 6.306490 12.569367 4.837743 4.053559 4.532092 3.369137 2.694646 2.148846 1.087213 10.729704 8.523417 10.507944 11.922863 10.636352 12.076700 10.907197 10.732285 10.623481 6.851948 6.601578 1.756979 0.000000 13.082835 13.281105 14.335422 12.679190 5.688110 4.898562 2.503108 3.825594 6.988208 8.919331 10.267745 10.533324 9.083072 10.660396 10.761106 11.197740 8.312318 12.274125 6.310522 13.096835 4.838376 4.537420 4.048462 2.684231 3.378430 2.149123 1.086957 10.917999 8.621025 10.436886 11.747723 10.292218 11.824322 10.726186 10.322928 10.912214 6.620579 6.828110 1.757067 1.758506 0.000000 C17H14ClF7O2 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 0 404.62252239999975 AuxInfo=1/0/N:11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;2;3;4;5;6;7;8;9;10;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0F0F0F0F0F0F0F0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.1152,-.1701,-1.603;-5.4638,-2.7161,-.0388;-6.6781,-1.1456,.7822;-4.974,-1.8712,1.882;2.6165,-1.9633,-1.326;4.1261,2.2475,.0876;6.2868,1.1094,1.1682;4.7744,-3.1041,-.2373;1.0455,.7415,-.3486;-.3277,1.6303,-1.8704;-2.1006,2.1873,.6572;-2.6199,.9931,-.0955;-1.1579,1.0602,.3029;-2.4233,2.3503,2.1241;-2.0512,3.5034,-.0802;-3.4863,-.006,.5338;-.1415,1.1888,-.7684;-4.5602,-.5584,-.0194;2.1113,.8057,-1.2969;-5.4227,-1.58,.6585;3.315,.1766,-.6677;3.5128,-1.1944,-.7143;4.2721,.9275,-.0051;5.391,.3375,.5543;4.6304,-1.7822,-.1527;5.6009,-1.0312,.493;6.8066,-1.6709,1.1117;-2.8038,1.1731,-1.1483;-.8501,.4373,1.1355;-2.3852,1.4155,2.6824;-3.4205,2.7734,2.2527;-1.7099,3.0316,2.5897;-3.0015,4.0245,.044;-1.8711,3.3898,-1.1456;-1.2679,4.1447,.3278;-3.2325,-.3275,1.5361;2.3123,1.8419,-1.5705;1.8362,.2801,-2.2121;6.5995,-1.9704,2.1401;7.108,-2.5613,.5655;7.6522,-.9883,1.1327; 0.3041259 0.0613183 0.0562054 -101.57381 -24.72880 -24.72593 -24.72515 -24.72360 -24.72329 -24.72157 -24.72146 -19.19107 -19.12666 -10.44364 -10.31947 -10.29634 -10.29567 -10.29266 -10.29243 -10.26099 -10.26029 -10.23113 -10.22734 -10.22322 -10.21974 -10.21319 -10.21262 -10.19856 -10.18393 -10.17390 -9.48896 -7.25365 -7.24363 -7.24329 -1.34138 -1.27815 -1.27738 -1.26352 -1.26293 -1.25059 -1.24551 -1.13940 -1.04704 -0.92609 -0.92067 -0.90710 -0.84269 -0.80202 -0.78998 -0.78585 -0.76358 -0.74329 -0.72017 -0.71390 -0.67658 -0.67322 -0.65767 -0.63918 -0.61760 -0.61402 -0.60629 -0.59409 -0.58987 -0.58807 -0.57602 -0.56813 -0.56094 -0.53856 -0.53306 -0.52935 -0.51515 -0.50687 -0.50053 -0.49603 -0.49202 -0.49058 -0.48647 -0.48595 -0.48265 -0.47140 -0.46155 -0.45762 -0.45491 -0.45336 -0.44559 -0.44461 -0.44090 -0.43382 -0.42684 -0.42495 -0.42414 -0.41904 -0.41438 -0.40671 -0.40375 -0.40021 -0.39477 -0.39025 -0.38601 -0.37290 -0.36973 -0.34074 -0.33602 -0.33096 -0.31416 -0.30288 -0.28289 -0.26977 -0.26915 -0.05400 -0.04644 -0.02770 -0.02709 -0.01300 -0.00800 0.00520 0.00771 0.01175 0.01589 0.02085 0.02525 0.03028 0.03333 0.03820 0.03979 0.04474 0.04641 0.04916 0.05356 0.05571 0.06291 0.06417 0.06686 0.06964 0.07257 0.07435 0.07686 0.08016 0.08521 0.08627 0.08927 0.09417 0.09927 0.10202 0.10607 0.10898 0.11253 0.11281 0.11575 0.11897 0.12510 0.12650 0.13113 0.13211 0.13451 0.13588 0.13818 0.14029 0.14435 0.14799 0.14890 0.14970 0.15562 0.15785 0.15981 0.16202 0.16464 0.16895 0.17028 0.17401 0.17564 0.17735 0.18282 0.18448 0.18457 0.18811 0.19018 0.19549 0.19646 0.19939 0.20612 0.20747 0.21151 0.21404 0.21669 0.21685 0.21896 0.22558 0.22692 0.23121 0.23196 0.23454 0.23582 0.23779 0.24240 0.24558 0.24783 0.24941 0.25382 0.25566 0.25723 0.26720 0.26940 0.27215 0.27470 0.27875 0.28056 0.28773 0.28985 0.29365 0.29646 0.29805 0.30381 0.30675 0.31143 0.31233 0.31440 0.32117 0.32472 0.32491 0.32884 0.33368 0.33654 0.33983 0.34320 0.34577 0.34761 0.35520 0.35713 0.35958 0.36196 0.36372 0.36626 0.36808 0.37197 0.37347 0.37471 0.38358 0.38637 0.38701 0.38999 0.39271 0.39638 0.40303 0.40819 0.41053 0.41388 0.41434 0.41988 0.42568 0.42996 0.43279 0.44042 0.44351 0.44981 0.46271 0.46586 0.47089 0.48043 0.48599 0.48938 0.49784 0.50323 0.50710 0.51003 0.52056 0.52800 0.53372 0.53674 0.54143 0.54322 0.55435 0.55627 0.55755 0.56177 0.56555 0.57131 0.57568 0.58118 0.58332 0.58646 0.59932 0.60697 0.61281 0.61912 0.62589 0.62896 0.63558 0.64395 0.64530 0.65052 0.65586 0.65800 0.66371 0.66851 0.67099 0.67484 0.67622 0.68270 0.68824 0.69685 0.70156 0.70444 0.70610 0.71243 0.71995 0.72300 0.72570 0.73888 0.74110 0.74598 0.74799 0.75555 0.75947 0.76571 0.77192 0.78651 0.78757 0.79357 0.80152 0.81837 0.82113 0.82949 0.84625 0.85332 0.86138 0.87166 0.88746 0.88948 0.89908 0.90868 0.91088 0.91950 0.92496 0.93719 0.94029 0.95053 0.95866 0.96174 0.96966 0.97570 0.98074 0.99222 1.00165 1.00682 1.03895 1.04544 1.05833 1.06237 1.07060 1.07892 1.08295 1.09181 1.12083 1.12410 1.13497 1.13951 1.14247 1.15423 1.16304 1.16739 1.18452 1.20753 1.21862 1.23192 1.24096 1.26395 1.27712 1.29389 1.31122 1.32769 1.32973 1.33756 1.34426 1.35436 1.36518 1.37588 1.38243 1.38623 1.39292 1.40285 1.40576 1.40700 1.40957 1.41276 1.41846 1.42287 1.42915 1.43351 1.43736 1.44206 1.44425 1.45573 1.45791 1.45832 1.46649 1.47618 1.47753 1.48031 1.48332 1.49060 1.49619 1.50830 1.51441 1.51592 1.52563 1.52824 1.54155 1.55028 1.55181 1.55532 1.56283 1.56882 1.57174 1.58332 1.58375 1.60369 1.61434 1.61928 1.62237 1.63781 1.64115 1.64758 1.65346 1.66281 1.66553 1.66639 1.67588 1.67893 1.69179 1.69864 1.70449 1.71319 1.71813 1.72914 1.73427 1.74359 1.75451 1.76875 1.78074 1.78664 1.79374 1.80496 1.82036 1.82120 1.82798 1.83354 1.84565 1.85011 1.86673 1.86831 1.88319 1.89129 1.90248 1.91048 1.93528 1.94007 1.94814 1.95152 1.96752 1.97679 1.98757 2.00405 2.00850 2.01794 2.02797 2.03473 2.05766 2.06084 2.07837 2.08347 2.09081 2.09490 2.10790 2.11997 2.13022 2.14385 2.16391 2.16759 2.18380 2.19589 2.20798 2.21127 2.23474 2.24067 2.24815 2.26556 2.28457 2.30092 2.31311 2.32399 2.33696 2.35590 2.38301 2.39067 2.40134 2.40894 2.42638 2.43675 2.44404 2.46957 2.47770 2.48421 2.49774 2.51578 2.52495 2.53394 2.54018 2.54607 2.54995 2.55821 2.57806 2.60165 2.60990 2.61187 2.62606 2.64417 2.65243 2.65931 2.66659 2.68008 2.69935 2.70911 2.72248 2.73754 2.74292 2.75087 2.75920 2.78344 2.79657 2.81772 2.83519 2.84784 2.86316 2.87304 2.87374 2.88714 2.90587 2.91566 2.92454 2.93318 2.94062 2.97885 2.98760 3.01139 3.02836 3.04931 3.06739 3.08257 3.08501 3.09099 3.10338 3.11425 3.11697 3.13914 3.14410 3.17998 3.19205 3.21030 3.21983 3.22210 3.23817 3.26555 3.27320 3.35448 3.38112 3.41435 3.44101 3.45054 3.52364 3.58165 3.60182 3.65225 3.65951 3.67857 3.69766 3.71098 3.73377 3.73883 3.75193 3.75374 3.75691 3.75928 3.76528 3.76736 3.76882 3.77433 3.77850 3.78365 3.79205 3.79289 3.80516 3.81086 3.81362 3.82550 3.83214 3.83847 3.89214 3.90887 3.91902 3.93748 3.94126 3.94851 3.98616 3.98847 3.99549 4.01129 4.01257 4.05163 4.08138 4.13122 4.14315 4.16780 4.19234 4.19448 4.20035 4.22450 4.24886 4.31423 4.38605 4.54540 4.56699 4.70456 4.78081 4.80317 4.89572 4.92443 4.93132 4.93956 4.96571 5.05553 5.09619 5.27471 5.39808 5.67757 5.89868 6.28466 6.29672 6.29931 6.32185 6.33117 6.35444 6.35937 6.36846 6.38483 6.38668 6.40246 6.42024 6.46318 6.50459 6.52897 6.61514 6.73633 6.75455 6.77922 6.82687 6.85894 9.81078 23.41997 23.48862 23.62031 23.80746 23.80932 23.86181 23.87923 23.88454 23.89815 23.95306 23.96140 23.98632 24.00203 24.00451 24.05012 24.13243 24.21178 25.86956 26.18615 26.64083 49.91086 50.02877 66.73722 66.75209 66.76414 66.76748 66.79929 66.81127 66.84990 215.81049 1-A. 3.6460 1.4134 2.1317 4.4536 -165.3751 -167.0116 -160.3540 -16.5779 -1.7015 0.1924 -1.1282 -2.7647 3.8929 -16.5779 -1.7015 0.1924 226.6612 -11.1836 9.7079 -20.5262 -23.3809 0.9670 4.1930 -18.1799 12.7187 -28.4336 -17255.4861 -2873.4310 -1203.4649 -503.3993 127.1752 153.5526 -3.8255 -9.3109 10.6999 -3462.3525 -3012.0731 -681.9950 -100.3500 -2.2911 33.1180 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 0 404.62252239999975 AuxInfo=1/0/N:11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;2;3;4;5;6;7;8;9;10;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0F0F0F0F0F0F0F0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:5.0133,-.7134,1.8833;5.6086,-2.4504,-.5834;6.8484,-.6684,-.5836;5.2466,-.8763,-2.0393;-2.9097,-2.4291,.4419;-3.9487,2.1816,.4254;-6.0387,1.7049,-1.1971;-5.0005,-2.9055,-1.1789;-1.069,.4657,.5125;.1835,.8134,2.3563;2.0271,2.327,.2901;2.6086,.9686,.64;1.1542,1.0827,.1706;2.4116,3.0041,-1.0137;1.8171,3.3021,1.4337;3.5838,.2838,-.2137;.0821,.7823,1.1523;4.6233,-.4421,.201;-2.1963,.1621,1.3753;5.5828,-1.1107,-.7507;-3.371,-.1101,.4866;-3.6732,-1.3956,.0466;-4.1954,.9176,.0375;-5.2741,.6697,-.7997;-4.7534,-1.64,-.7903;-5.5852,-.6159,-1.2357;-6.7481,-.8834,-2.1512;2.7016,.7859,1.7038;.9312,.761,-.8392;2.4913,2.3082,-1.8504;3.3725,3.516,-.9058;1.6589,3.7523,-1.2776;2.7343,3.8758,1.5959;1.5538,2.799,2.3628;1.018,4.0084,1.1874;3.4631,.3673,-1.2873;-2.3835,1.0134,2.0295;-1.9525,-.7053,1.9883;-6.4281,-.8415,-3.1968;-7.1605,-1.8757,-1.9691;-7.5288,-.1364,-2.0105; 0.000000 3.075139 0.000000 3.074990 2.170898 0.000000 3.932870 2.174463 2.174389 0.000000 8.233758 8.579824 9.968586 8.665572 0.000000 9.530175 10.668438 11.212436 9.998925 4.726272 0.000000 11.725375 12.381596 13.118216 11.607327 5.437568 2.688434 0.000000 10.698513 10.635543 12.072945 10.481437 2.688013 5.436729 4.725932 0.000000 6.345350 7.368517 8.072983 6.942535 3.431136 3.353317 5.399706 5.448157 0.000000 5.087410 6.980433 7.433727 6.914549 4.872993 4.761916 7.220653 7.293926 2.255942 0.000000 4.549669 6.034379 5.742890 5.104114 6.856720 5.979115 8.225334 8.883897 3.619326 3.155797 0.000000 3.187044 4.710239 4.706663 4.188175 6.483498 6.672080 8.870991 8.730207 3.714071 2.975114 1.518465 0.000000 4.588245 5.735301 6.004975 5.046701 5.377855 5.226089 7.348186 7.457030 2.332401 2.406651 1.524585 1.532588 0.000000 5.383421 6.337033 5.775610 4.913931 7.743011 6.572746 8.551571 9.481038 4.570258 4.595713 1.518615 2.629959 2.583682 0.000000 5.151907 7.178854 6.719267 6.425090 7.494850 5.959644 8.437203 9.583318 4.150131 3.116714 1.517493 2.588763 2.638269 2.536073 0.000000 2.726768 3.422393 3.420747 2.728297 7.067865 7.794123 9.776463 9.208323 4.712601 4.295019 2.617530 1.465792 2.586283 3.068225 3.865871 0.000000 5.204609 6.633653 7.134471 6.293526 4.446198 4.328290 6.620857 6.698325 1.354497 1.208706 2.629078 2.584661 1.484289 3.879943 3.072246 3.791544 0.000000 1.748070 2.370496 2.370216 2.365533 7.794372 8.967405 10.965588 10.029463 5.772664 5.092528 3.796896 2.498379 3.789612 4.271306 4.838796 1.334047 4.798616 0.000000 7.280253 8.460367 9.291583 8.254300 2.845016 2.837606 4.874682 4.878284 1.451691 2.655139 4.868387 4.927325 3.677547 5.917505 5.096137 5.995711 2.371829 6.946283 0.000000 2.724042 1.350348 1.351041 1.352150 8.676606 10.152483 11.966107 10.742971 6.951800 6.519877 5.054138 3.886323 5.027234 5.201712 6.198828 2.495882 6.120685 1.507796 8.164213 0.000000 8.521176 9.341011 10.290425 9.012706 2.364756 2.364216 3.639554 3.639110 2.373044 4.121039 5.925967 6.078092 4.690384 6.737012 6.281465 7.000996 3.628161 8.006274 1.497966 9.094092 0.000000 8.904740 9.362798 10.565566 9.175153 1.344332 3.607712 4.093399 2.354403 3.234740 5.008858 6.812524 6.738239 5.427840 7.583329 7.357760 7.453344 4.479810 8.352585 2.524537 9.294703 1.391893 0.000000 9.532379 10.384928 11.174345 9.832645 3.607870 1.344915 2.354179 4.091960 3.194367 4.956015 6.385038 6.830821 5.353728 7.007847 6.617015 7.808934 4.422428 8.924387 2.521321 10.017392 1.391985 2.371456 0.000000 10.721062 11.323178 12.198017 10.705617 4.090766 2.354351 1.346955 3.605675 4.409779 6.306040 7.565767 8.018688 6.514168 8.035185 7.886846 8.885577 5.701907 10.009788 3.802825 11.002012 2.425817 2.746750 1.387806 0.000000 10.168356 10.395731 11.644294 10.106587 2.353787 4.090204 3.606404 1.346667 4.439177 6.347714 7.929658 7.940468 6.575447 8.541382 8.517206 8.575693 5.746649 9.504785 3.804804 10.349871 2.425306 1.388161 2.745576 2.367707 0.000000 11.048362 11.361904 12.450841 10.864680 3.641519 3.641815 2.364994 2.363825 4.962092 6.944318 8.302744 8.553866 7.091021 8.780799 8.790385 9.269545 6.306852 10.310614 4.348316 11.189523 2.850445 2.430675 2.429893 1.392706 1.392549 0.000000 12.435273 12.553934 13.688260 11.995184 4.883299 4.885581 2.848306 2.844026 6.416182 8.440585 9.657637 9.938281 8.467724 10.015303 10.184916 10.576564 7.767845 11.620521 5.852221 12.412268 4.354393 3.814123 3.814505 2.532070 2.530452 1.503964 0.000000 2.761168 4.914852 4.954120 4.821832 6.588994 6.914412 9.254894 9.014343 3.967240 2.601434 2.197331 1.083335 2.198422 3.519802 2.680793 2.169529 2.676895 2.731194 4.948341 4.233583 6.257832 6.938557 7.096596 8.360146 8.226955 8.903759 10.341363 0.000000 5.123415 5.679520 6.092799 4.769028 5.154615 5.237415 7.042636 6.981657 2.432061 3.282222 2.220026 2.246111 1.083039 2.693255 3.522505 2.766806 2.164995 4.020140 3.878617 5.014879 4.585301 5.161028 5.203298 6.206028 6.171059 6.672065 7.962193 3.098636 0.000000 5.425072 5.828159 5.426736 4.215257 7.541034 6.831473 8.576239 9.152087 4.653377 5.025659 2.190376 2.830288 2.715588 1.091256 3.496823 2.823233 4.141081 4.039620 6.081497 4.738779 6.758408 7.437630 7.085828 8.005562 8.318538 8.611498 9.779707 3.872205 2.418762 0.000000 5.325326 6.379806 5.449286 4.908048 8.753606 7.559952 9.588306 10.555417 5.571591 5.302395 2.157338 3.076037 3.464153 1.094047 2.817485 3.312172 4.747102 4.296102 6.889367 5.129904 7.782139 8.641350 8.056878 9.103568 9.624336 9.870220 11.105457 3.835801 3.681609 1.768466 0.000000 6.417606 7.386168 6.852370 5.905530 7.876405 6.067348 7.965644 9.417187 4.631154 4.900972 2.150548 3.511132 3.078751 1.093597 2.752965 4.106980 4.148628 5.344855 5.898310 6.270851 6.582572 7.529009 6.636028 7.602383 8.392380 8.459284 9.640010 4.333044 3.109583 1.762475 1.769309 0.000000 5.131907 7.282263 6.505785 6.489053 8.540332 6.993126 9.459390 10.654221 5.221836 4.057480 2.145705 3.062825 3.511298 2.770156 1.093914 4.110717 4.098799 4.915111 6.176639 6.203668 7.375136 8.440642 7.694129 8.952762 9.601255 9.869530 11.251952 3.091898 4.345414 3.793884 2.606802 3.070671 0.000000 4.953248 7.257968 6.981192 6.820751 7.137632 5.866302 8.456806 9.383211 3.968305 2.412605 2.177847 2.726004 2.812663 3.489780 1.088940 4.133415 2.774595 4.959872 4.689561 6.419735 6.019745 7.090988 6.480750 7.820230 8.332400 8.693521 10.141927 2.409212 3.846308 4.344120 3.808640 3.764672 1.772313 0.000000 6.224307 8.119461 7.681308 7.221649 7.577808 5.346620 7.796733 9.466961 4.166741 3.503000 2.156509 3.474188 3.100284 2.791981 1.094563 4.734814 3.359240 5.811941 5.016079 7.127356 6.059411 7.246532 6.168792 7.394940 8.314138 8.417689 9.766653 3.672277 3.828826 3.780135 3.188663 2.559786 1.769271 1.769606 0.000000 3.691002 3.610826 3.609464 2.300625 7.170904 7.820456 9.595922 9.074969 4.877342 4.922436 2.896637 2.192255 2.822829 2.851914 4.327356 1.083573 4.189796 2.053368 6.257765 2.639259 7.076622 7.470869 7.791614 8.755945 8.472724 9.101697 10.323681 3.114693 2.601212 2.242484 3.173000 3.835798 4.599246 4.783481 5.035857 0.000000 7.597033 9.093849 9.740850 8.851143 3.827187 2.527444 4.924441 5.700854 2.080611 2.595391 4.919740 5.182070 3.996861 6.017992 4.820609 6.416518 2.627159 7.386254 1.089783 8.700743 2.148931 3.376142 2.694454 4.059311 4.539622 4.854594 6.334471 5.100551 4.390853 6.363440 6.928921 5.897384 5.879885 4.336138 4.609695 6.752780 0.000000 6.966611 8.174945 9.169120 8.250894 2.505699 3.842102 5.714293 4.915443 2.080820 2.646605 5.283552 5.042261 4.019023 6.466618 5.529698 6.039666 2.655541 6.819482 1.089713 8.027954 2.149712 2.684641 3.386711 4.549322 4.054515 4.857843 6.337527 4.895470 4.296550 6.600343 7.385866 6.601419 6.565587 4.971460 5.628917 6.419372 1.772373 0.000000 12.519140 12.421755 13.532334 11.731950 5.304686 5.329750 3.261099 3.220276 6.647375 8.791405 9.679239 9.983005 8.516638 9.884066 10.324458 10.507269 7.995891 11.568845 6.310306 12.260409 4.842339 4.291395 4.305850 3.059672 3.038640 2.146432 1.094287 10.488810 7.892097 9.554503 10.967556 9.496597 11.365410 10.386257 9.908917 10.146060 6.863923 6.850850 0.000000 12.821606 12.856950 14.128968 12.447487 4.918204 5.701761 3.830808 2.520067 6.981907 8.937263 10.352698 10.504018 9.081021 10.786595 10.908091 11.098872 8.322499 12.067454 6.323084 12.824301 4.848519 4.056446 4.541047 3.377160 2.690576 2.146286 1.089915 10.855198 8.585133 10.520288 11.880433 10.484950 11.987338 10.796228 10.558106 10.879189 6.866963 6.644812 1.764456 0.000000 13.145311 13.415794 14.457672 12.796849 5.710261 4.911525 2.504454 3.840863 6.961131 8.913514 10.132924 10.536351 9.035381 10.472256 10.537173 11.264768 8.292990 12.355526 6.323686 13.208025 4.850135 4.547859 4.051803 2.683218 3.384176 2.146567 1.089689 10.922810 8.587721 10.315242 11.549822 10.003641 11.594632 10.499394 10.022641 11.027181 6.642118 6.885403 1.765311 1.778363 0.000000 C17H14ClF7O2 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 0 404.62252239999975 AuxInfo=1/0/N:11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;2;3;4;5;6;7;8;9;10;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0F0F0F0F0F0F0F0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.1384,-.2831,-1.6617;-5.5487,-2.7058,.1873;-6.7876,-1.0395,.821;-5.083,-1.6449,2.0275;2.8714,-2.1681,-1.3706;3.9024,2.2394,-.0108;6.1065,1.3388,1.2376;5.0762,-3.0679,-.1238;1.0264,.5644,-.4207;-.3585,1.43,-1.9769;-2.0476,2.1937,.577;-2.6514,.9943,-.1319;-1.1665,.9938,.2476;-2.3363,2.4297,2.0492;-1.9235,3.4769,-.2234;-3.5603,.0579,.5357;-.169,1.0342,-.8507;-4.6264,-.5308,-.0087;2.0877,.5666,-1.4111;-5.5126,-1.4814,.7558;3.3249,.0634,-.7327;3.6604,-1.2874,-.731;4.1786,.9236,-.048;5.3161,.4571,.5956;4.7995,-1.7505,-.0867;5.6603,-.8924,.5929;6.8876,-1.3996,1.2989;-2.8219,1.1439,-1.1912;-.8696,.3837,1.0918;-2.3534,1.5092,2.6351;-3.3033,2.9268,2.1707;-1.5673,3.0788,2.4773;-2.8509,4.0506,-.1375;-1.7284,3.2889,-1.2781;-1.1094,4.0927,.1719;-3.3612,-.1886,1.5719;2.2252,1.5815,-1.7835;1.8009,-.077,-2.2424;6.6451,-1.6876,2.3264;7.2869,-2.2783,.7926;7.6548,-.627,1.3406; 0.3026686 0.0600597 0.0556297 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= 680 680 680 680 680 MxSgAt= 41 MxSgA2= 41. 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 NBasis= 686 RedAO= T EigKep= 1.26D-06 NBF= 686 NBsUse= 685 1.00D-06 EigRej= 9.37D-07 NBFU= 685 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= 680 680 680 680 680 MxSgAt= 41 MxSgA2= 41. 1 1.43444702e+00 5.56061455e-01 8.38667614e-01 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 17 9 9 9 9 9 9 9 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.003396614 -0.001656582 0.014030125 0.000773357 -0.015975429 0.000823340 0.015436982 0.004756339 -0.000143100 -0.003903545 0.001957620 -0.013737161 0.007898141 -0.009183239 0.003271076 0.000863486 0.011509543 0.003843256 -0.007882936 0.009133421 -0.003116993 -0.001038406 -0.011485629 -0.003770492 -0.003957080 -0.000489924 -0.012380078 0.001511600 0.000391898 0.013949600 0.000943014 0.006946704 -0.000357879 0.007238307 -0.005344716 0.003412626 -0.007340615 -0.003240709 -0.004341948 0.000623825 0.001324609 -0.004254849 -0.000257834 0.002205132 0.003874374 -0.003730416 0.001408431 -0.003440096 0.009954660 0.001972132 -0.004497499 -0.002216766 0.001447664 -0.003059244 -0.010017289 -0.002083313 0.008434027 -0.007935704 0.005817534 0.005839234 0.002798321 0.000846656 0.002142935 -0.003547283 0.003858742 -0.000644462 -0.000377499 -0.004959583 -0.000929415 0.003711454 -0.004277680 0.001043468 0.000387450 0.005337773 0.001264916 -0.003283812 -0.001001285 -0.002093768 -0.003483132 -0.001137330 -0.001407523 -0.001252615 0.000166947 -0.000285607 -0.000816369 -0.000189927 0.000977108 0.000026772 -0.001211185 -0.000743418 0.001969906 0.000839010 0.000618161 -0.001375385 0.001617743 -0.000008474 0.002036751 0.001063309 -0.000211546 -0.001253898 -0.002146031 0.000761876 -0.001645176 0.001299796 -0.000818092 0.001104252 -0.000633015 -0.000948338 0.000927215 0.001636619 -0.001249510 0.002057802 -0.000956297 -0.001234378 0.000962219 0.000255509 -0.002144557 0.001183444 -0.002515777 0.000695595 -0.000489813 0.002694521 0.000836708 0.015975429 0.004838586 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1966.25081547831 -1966.25082043431 -0.000004956004 -1966.25082043978 -0.000000005471 -1966.25082048108 -0.000000041297 -1966.25082048253 -0.000000001453 -1966.25082048335 -0.000000000816 -1966.25082048325 0.000000000103 -1966.25082048330 -0.000000000047 -1966.25082048314 0.000000000155 -1966.25082048 9 1.960017880241e+03 -9.933083371428e+03 3.359533956033e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245691381 LenY= 4245182299 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. (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT108200S 2023-05-13T01:30:59.000 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 Cl F F F F F F F O O C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H 0.406524 -0.066077 -0.066134 -0.153241 -0.175426 -0.185957 -0.196050 -0.194074 0.080367 -0.249464 0.166604 0.223887 -0.298022 -0.501996 -0.524286 -0.330710 -0.243928 -0.463257 0.175991 0.480020 0.625114 -0.365861 -0.402459 -0.521514 -0.525785 1.221826 -0.204337 0.189201 0.164705 0.127137 0.153605 0.156330 0.148450 0.171283 0.146779 0.145474 0.182268 0.191743 0.184141 0.163632 0.163497 -0.00000 -101.57566 -24.72847 -24.72587 -24.72528 -24.72352 -24.72315 -24.72120 -24.72115 -19.19001 -19.12970 -10.44758 -10.32249 -10.30079 -10.30079 -10.29725 -10.29704 -10.26606 -10.26298 -10.23639 -10.23267 -10.22795 -10.22400 -10.21697 -10.21658 -10.20170 -10.18719 -10.17672 -9.49007 -7.25494 -7.24472 -7.24444 -1.33117 -1.27249 -1.27176 -1.25840 -1.25785 -1.24468 -1.23949 -1.12953 -1.04301 -0.92156 -0.92017 -0.90166 -0.84255 -0.80377 -0.79099 -0.78382 -0.76293 -0.74254 -0.71867 -0.71381 -0.67632 -0.67234 -0.65513 -0.63674 -0.61243 -0.60840 -0.60339 -0.59130 -0.58658 -0.58512 -0.57428 -0.56608 -0.55864 -0.53611 -0.53100 -0.52844 -0.51175 -0.50458 -0.49728 -0.49461 -0.48964 -0.48713 -0.48395 -0.48377 -0.48075 -0.47040 -0.46015 -0.45756 -0.45422 -0.45069 -0.44498 -0.44452 -0.44111 -0.43408 -0.42656 -0.42590 -0.42443 -0.41969 -0.41601 -0.40789 -0.40600 -0.40177 -0.39562 -0.39044 -0.38774 -0.37394 -0.37111 -0.34178 -0.33735 -0.33107 -0.31470 -0.30421 -0.28486 -0.27313 -0.27125 -0.05872 -0.05139 -0.03267 -0.02959 -0.01658 -0.01101 0.00065 0.00639 0.01049 0.01491 0.02041 0.02370 0.02947 0.03266 0.03722 0.03924 0.04166 0.04582 0.04830 0.05278 0.05389 0.06099 0.06279 0.06553 0.06842 0.07074 0.07308 0.07546 0.07935 0.08333 0.08456 0.08785 0.09422 0.09789 0.09975 0.10427 0.10655 0.10952 0.11109 0.11366 0.11714 0.12276 0.12434 0.12887 0.12994 0.13211 0.13424 0.13516 0.13752 0.14330 0.14489 0.14572 0.14672 0.15264 0.15317 0.15765 0.15803 0.16185 0.16426 0.16763 0.16955 0.17437 0.17547 0.17925 0.18064 0.18220 0.18608 0.18864 0.19188 0.19366 0.19492 0.20216 0.20325 0.20644 0.20912 0.21103 0.21447 0.21620 0.22116 0.22423 0.22581 0.23009 0.23162 0.23429 0.23604 0.23882 0.24326 0.24510 0.24702 0.25009 0.25233 0.25322 0.26157 0.26554 0.26946 0.27229 0.27558 0.27856 0.28193 0.28476 0.29051 0.29383 0.29440 0.29830 0.30278 0.30579 0.30945 0.31456 0.31866 0.32405 0.32464 0.32678 0.33091 0.33403 0.33648 0.33991 0.34296 0.34412 0.35099 0.35398 0.35583 0.35896 0.36217 0.36498 0.36771 0.36880 0.37053 0.37456 0.38066 0.38361 0.38579 0.38706 0.39041 0.39381 0.39913 0.40482 0.40745 0.41114 0.41758 0.42076 0.42128 0.42372 0.43254 0.43775 0.43994 0.44757 0.45770 0.46482 0.46893 0.47782 0.48547 0.48986 0.49562 0.50377 0.50428 0.50758 0.51526 0.52277 0.52836 0.53038 0.53744 0.54134 0.55041 0.55339 0.55717 0.56000 0.56290 0.56763 0.57338 0.57816 0.58295 0.58857 0.59664 0.60094 0.60932 0.61773 0.62254 0.62489 0.63482 0.63810 0.63992 0.64709 0.65052 0.65188 0.65913 0.66569 0.66647 0.66826 0.67127 0.68003 0.68349 0.69147 0.69441 0.70018 0.70431 0.71149 0.71685 0.72045 0.72299 0.73246 0.73949 0.74122 0.74716 0.75288 0.75413 0.76138 0.77336 0.77964 0.78861 0.78883 0.79965 0.80896 0.81665 0.82634 0.84370 0.85188 0.85856 0.86864 0.88421 0.88714 0.89818 0.90375 0.91033 0.91901 0.92078 0.93210 0.94201 0.94329 0.95113 0.95661 0.96764 0.97133 0.97899 0.98837 0.99688 1.00300 1.03518 1.04037 1.05526 1.06183 1.06889 1.07198 1.08004 1.08339 1.11328 1.11977 1.12203 1.13281 1.13622 1.14728 1.16114 1.16876 1.17541 1.20251 1.21866 1.23076 1.23893 1.25828 1.27301 1.29543 1.31128 1.32810 1.32883 1.33742 1.34105 1.35271 1.36255 1.37641 1.38207 1.38793 1.39335 1.40274 1.40456 1.40765 1.40911 1.41013 1.41590 1.41930 1.42446 1.43033 1.43615 1.43821 1.44429 1.45184 1.45414 1.45840 1.46633 1.47314 1.47686 1.48050 1.48177 1.49075 1.49437 1.50412 1.50767 1.51352 1.52115 1.52622 1.53291 1.54155 1.54634 1.55113 1.55557 1.55969 1.56857 1.57843 1.58070 1.59625 1.60775 1.61099 1.61761 1.62368 1.63130 1.63486 1.64179 1.65629 1.65944 1.66942 1.67109 1.67592 1.68533 1.68912 1.70043 1.70657 1.71006 1.72168 1.72495 1.73512 1.74676 1.76204 1.77198 1.77920 1.78252 1.79828 1.80904 1.81630 1.82249 1.82852 1.84128 1.84239 1.86079 1.86231 1.87811 1.88495 1.89709 1.90675 1.92884 1.93514 1.93669 1.94865 1.95965 1.96708 1.98056 2.00008 2.00574 2.01247 2.01866 2.02566 2.04833 2.05695 2.06952 2.07830 2.08047 2.08477 2.09897 2.11122 2.12070 2.13685 2.15482 2.15984 2.17443 2.18271 2.20183 2.20449 2.22802 2.23014 2.24017 2.25487 2.27952 2.29843 2.30628 2.31914 2.32886 2.34651 2.37201 2.37974 2.39230 2.40063 2.41690 2.42131 2.43484 2.45934 2.46984 2.47016 2.49193 2.50750 2.51446 2.53038 2.53464 2.53983 2.54018 2.54883 2.57456 2.58809 2.60235 2.60658 2.61367 2.64073 2.64303 2.64809 2.65854 2.67364 2.69535 2.70518 2.71160 2.72085 2.73876 2.74084 2.74870 2.77837 2.78732 2.80509 2.82777 2.84307 2.85025 2.86285 2.86599 2.88495 2.88846 2.89301 2.90764 2.92010 2.93123 2.96775 2.97512 2.98901 3.00394 3.02404 3.05012 3.06522 3.06732 3.06928 3.08619 3.09501 3.09880 3.11705 3.12764 3.16241 3.17317 3.18973 3.19991 3.20547 3.22274 3.24467 3.24979 3.33704 3.36778 3.39353 3.42610 3.43466 3.51337 3.55864 3.58390 3.62757 3.63243 3.66702 3.70117 3.70607 3.73630 3.74139 3.75111 3.75229 3.75425 3.75995 3.76083 3.76547 3.76683 3.76748 3.77554 3.78131 3.78583 3.79240 3.79729 3.80253 3.81421 3.82005 3.82756 3.82988 3.88349 3.89766 3.90496 3.91965 3.92956 3.93625 3.97026 3.97726 3.97997 3.99490 3.99791 4.03435 4.05840 4.10572 4.12750 4.14640 4.15885 4.17640 4.18019 4.19172 4.23577 4.29310 4.37440 4.52114 4.53802 4.68363 4.76902 4.79301 4.87871 4.90720 4.91615 4.91983 4.94808 5.05287 5.09295 5.26575 5.37900 5.64486 5.87891 6.28577 6.29302 6.29867 6.32213 6.33354 6.35463 6.35863 6.36514 6.37955 6.38682 6.40229 6.42037 6.45431 6.49844 6.52184 6.59890 6.71734 6.72274 6.74697 6.80466 6.83327 9.79954 23.40497 23.46253 23.60288 23.77799 23.78463 23.84600 23.85557 23.86515 23.88127 23.93795 23.94837 23.97333 23.97706 23.99299 24.02348 24.10171 24.18362 25.86162 26.16054 26.60670 49.90695 50.01610 66.73524 66.75123 66.76086 66.76487 66.79449 66.80778 66.84372 215.79746 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 Cl F F F F F F F O O C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H 0.419647 -0.071190 -0.072377 -0.154285 -0.184587 -0.184204 -0.198261 -0.196584 0.066420 -0.242774 0.187230 0.151843 -0.221196 -0.496741 -0.519853 -0.340187 -0.320870 -0.391742 0.185857 0.417305 0.673269 -0.518295 -0.270071 -0.557233 -0.491859 1.217204 -0.195197 0.191011 0.167043 0.128788 0.156001 0.158588 0.150481 0.170002 0.147304 0.147877 0.187450 0.189048 0.185440 0.165139 0.164565 -0.00000 1.52373728e+00 6.77992886e-01 8.24293795e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 3.8730 1.7233 2.0951 4.7285 -166.5349 -168.2058 -160.6364 -15.7899 -0.0215 0.2513 -1.4092 -3.0801 4.4893 -15.7899 -0.0215 0.2513 255.3264 -5.9583 12.5874 -29.9722 -9.5641 5.9033 7.4078 -17.9878 11.4326 -30.3570 -17545.2463 -2787.4595 -1299.8887 -452.1581 204.8179 148.3773 -5.7796 -16.7702 11.6281 -3558.1388 -3068.4783 -681.1107 -94.0347 -7.4061 26.6514 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -1966.2508205 3.57E-9 4.285E-6 -1.5846847,-1.6184965,3.2031812,11.2789707,3.2780604,-0.9663649 C01 [X(C17H14Cl1F7O2)] -1.4785918 0.8962739 -0.6865633 0.000004128 -0.000002697 0.000001662 -0.000006348 -0.000003583 0.000007060 -0.000000673 0.000004840 0.000006350 -0.000013249 0.000008852 -0.000004862 -0.000001305 0.000002316 0.000000017 -0.000000386 -0.000001638 -0.000000814 0.000001080 -0.000001829 0.000000722 0.000000579 0.000002137 0.000001585 0.000015390 0.000004604 0.000001307 -0.000002148 -0.000000450 0.000006603 -0.000008874 -0.000003540 0.000003513 -0.000000662 0.000001084 0.000000789 0.000007865 0.000003349 -0.000005688 0.000000545 0.000003235 -0.000005218 0.000005454 0.000004773 0.000002447 0.000004567 -0.000005150 -0.000004725 -0.000012273 -0.000009618 -0.000010343 -0.000003089 0.000000777 -0.000001997 -0.000009864 -0.000002772 0.000007843 0.000014214 -0.000008394 -0.000002559 -0.000001836 0.000000785 -0.000004065 0.000004235 -0.000003052 0.000002582 0.000002657 0.000004493 0.000004489 -0.000003199 0.000002898 -0.000005234 -0.000004466 -0.000003667 -0.000000875 0.000002989 -0.000000455 0.000003663 0.000000059 -0.000001099 0.000001142 0.000000112 0.000001097 -0.000000366 -0.000002761 -0.000000727 0.000000296 0.000000163 -0.000000936 0.000000057 0.000000263 -0.000000695 0.000000162 0.000000151 -0.000001391 0.000000178 0.000000653 -0.000001434 0.000000416 0.000000445 0.000001843 -0.000001464 0.000001342 0.000000051 -0.000002025 0.000001713 0.000000483 -0.000001838 0.000002268 0.000001219 -0.000001285 0.000002088 0.000000912 0.000000160 -0.000001011 0.000002878 -0.000000219 0.000000728 0.000000256 -0.000000633 -0.000001545 0.000000249 0.000001167 404.62252239999975 AuxInfo=1/0/N:11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;2;3;4;5;6;7;8;9;10;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0F0F0F0F0F0F0F0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:5.0133,-.7134,1.8833;5.6086,-2.4504,-.5834;6.8484,-.6684,-.5836;5.2466,-.8763,-2.0393;-2.9097,-2.4291,.4419;-3.9487,2.1816,.4254;-6.0387,1.7049,-1.1971;-5.0005,-2.9055,-1.1789;-1.069,.4657,.5125;.1835,.8134,2.3563;2.0271,2.327,.2901;2.6086,.9686,.64;1.1542,1.0827,.1706;2.4116,3.0041,-1.0137;1.8171,3.3021,1.4337;3.5838,.2838,-.2137;.0821,.7823,1.1523;4.6233,-.4421,.201;-2.1963,.1621,1.3753;5.5828,-1.1107,-.7507;-3.371,-.1101,.4866;-3.6732,-1.3956,.0466;-4.1954,.9176,.0375;-5.2741,.6697,-.7997;-4.7534,-1.64,-.7903;-5.5852,-.6159,-1.2357;-6.7481,-.8834,-2.1512;2.7016,.7859,1.7038;.9312,.761,-.8392;2.4913,2.3082,-1.8504;3.3725,3.516,-.9058;1.6589,3.7523,-1.2776;2.7343,3.8758,1.5959;1.5538,2.799,2.3628;1.018,4.0084,1.1874;3.4631,.3673,-1.2873;-2.3835,1.0134,2.0295;-1.9525,-.7053,1.9883;-6.4281,-.8415,-3.1968;-7.1605,-1.8757,-1.9691;-7.5288,-.1364,-2.0105; Gaussian 16 GINC-CIBELES2-315 VALENTIN Optimization Tefluthrin-trans/ CONF88 gas EM64L-G16RevC.01 117 C1[X(C17H14ClF7O2)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) Freq 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 0 404.62252239999975 AuxInfo=1/0/N:11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;2;3;4;5;6;7;8;9;10;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0F0F0F0F0F0F0F0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:5.0133,-.7134,1.8833;5.6086,-2.4504,-.5834;6.8484,-.6684,-.5836;5.2466,-.8763,-2.0393;-2.9097,-2.4291,.4419;-3.9487,2.1816,.4254;-6.0387,1.7049,-1.1971;-5.0005,-2.9055,-1.1789;-1.069,.4657,.5125;.1835,.8134,2.3563;2.0271,2.327,.2901;2.6086,.9686,.64;1.1542,1.0827,.1706;2.4116,3.0041,-1.0137;1.8171,3.3021,1.4337;3.5838,.2838,-.2137;.0821,.7823,1.1523;4.6233,-.4421,.201;-2.1963,.1621,1.3753;5.5828,-1.1107,-.7507;-3.371,-.1101,.4866;-3.6732,-1.3956,.0466;-4.1954,.9176,.0375;-5.2741,.6697,-.7997;-4.7534,-1.64,-.7903;-5.5852,-.6159,-1.2357;-6.7481,-.8834,-2.1512;2.7016,.7859,1.7038;.9312,.761,-.8392;2.4913,2.3082,-1.8504;3.3725,3.516,-.9058;1.6589,3.7523,-1.2776;2.7343,3.8758,1.5959;1.5538,2.799,2.3628;1.018,4.0084,1.1874;3.4631,.3673,-1.2873;-2.3835,1.0134,2.0295;-1.9525,-.7053,1.9883;-6.4281,-.8415,-3.1968;-7.1605,-1.8757,-1.9691;-7.5288,-.1364,-2.0105; Optimization Tefluthrin-trans/ CONF88 gas Redundant internal coordinates found in file. (old form). 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 35 19 19 19 19 19 19 19 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 18.9984033 18.9984033 18.9984033 18.9984033 18.9984033 18.9984033 18.9984033 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 6.7500000 6.7500000 6.7500000 6.7500000 6.7500000 6.7500000 6.7500000 5.6000000 5.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/valentin/Almacen/Insecticides/G3/Tefluthrin-trans/gaussian/gas/CONF88/opt-b3lyp-pople.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 1 2 3 4 5 6 7 8 9 9 10 11 11 11 11 12 12 12 13 13 14 14 14 15 15 15 16 16 18 19 19 19 21 21 22 23 24 25 26 27 27 27 18 20 20 20 22 23 24 25 17 19 17 12 13 14 15 13 16 28 17 29 30 31 32 33 34 35 18 36 20 21 37 38 22 23 25 24 26 26 27 39 40 41 1.7481 1.3503 1.351 1.3521 1.3443 1.3449 1.347 1.3467 1.3545 1.4517 1.2087 1.5185 1.5246 1.5186 1.5175 1.5326 1.4658 1.0833 1.4843 1.083 1.0913 1.094 1.0936 1.0939 1.0889 1.0946 1.334 1.0836 1.5078 1.498 1.0898 1.0897 1.3919 1.392 1.3882 1.3878 1.3927 1.3925 1.504 1.0943 1.0899 1.0897 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 17 12 12 13 13 14 11 11 13 13 16 11 11 12 12 17 11 11 11 30 30 31 11 11 11 33 33 34 12 12 18 9 9 10 1 1 16 9 9 9 21 21 37 2 2 2 3 3 4 19 19 22 5 5 21 6 6 21 7 7 23 8 8 22 24 24 25 26 26 26 39 39 40 9 11 11 11 11 11 12 12 12 12 12 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 27 27 27 19 14 15 14 15 15 16 28 16 28 28 17 29 17 29 29 30 31 32 31 32 32 33 34 35 34 35 35 18 36 36 10 13 13 16 20 20 21 37 38 37 38 38 3 4 18 4 18 18 22 23 23 21 25 25 21 24 24 23 26 26 22 26 26 25 27 27 39 40 41 40 41 41 115.3462 119.9826 117.0132 116.2063 120.2831 113.295 122.5823 114.205 119.1938 113.2468 115.8491 121.7949 115.6822 117.8948 117.3123 114.0668 113.1067 110.2661 109.7558 108.0462 107.5454 107.9526 109.4336 112.3069 110.2478 108.5686 107.8892 108.2782 126.2706 117.8364 115.8929 123.215 110.4112 126.3726 123.8779 113.3723 122.7498 107.1165 109.0726 109.0935 111.3074 111.3749 108.8201 106.9549 107.1456 111.9534 107.1006 111.8931 111.4935 121.7128 121.4447 116.8277 119.582 118.941 121.4763 119.4889 118.9717 121.5388 118.8135 119.3561 121.8304 118.8269 119.291 121.882 116.4421 121.8376 121.7169 110.4085 110.6607 110.6969 107.768 107.8605 109.3551 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 19 19 17 17 17 14 14 15 15 14 14 15 15 12 12 12 13 13 13 15 15 15 12 12 12 13 13 13 14 14 14 16 16 28 28 11 11 13 13 28 28 11 11 12 12 29 29 12 12 36 36 1 1 1 16 16 16 9 9 37 37 38 38 19 19 23 23 19 19 22 22 5 5 21 21 6 6 21 21 7 7 23 23 8 8 22 22 24 24 24 25 25 25 9 9 9 9 9 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 16 16 16 16 18 18 18 18 18 18 19 19 19 19 19 19 21 21 21 21 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 26 26 17 17 19 19 19 12 12 12 12 13 13 13 13 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 13 13 13 13 16 16 16 16 16 16 17 17 17 17 17 17 18 18 18 18 20 20 20 20 20 20 21 21 21 21 21 21 22 22 22 22 23 23 23 23 25 25 25 25 24 24 24 24 26 26 26 26 26 26 26 26 27 27 27 27 27 27 10 13 21 37 38 16 28 16 28 17 29 17 29 30 31 32 30 31 32 30 31 32 33 34 35 33 34 35 33 34 35 17 29 17 29 18 36 18 36 18 36 9 10 9 10 9 10 1 20 1 20 2 3 4 2 3 4 22 23 22 23 22 23 5 25 5 25 6 24 6 24 8 26 8 26 7 26 7 26 25 27 25 27 24 27 24 27 39 40 41 39 40 41 0.1002 -179.5097 177.9936 57.4117 -61.3318 2.3796 151.0951 -141.3863 7.3291 -142.9005 3.2494 0.0242 146.1741 39.1454 -81.9573 159.2442 -30.3655 -151.4683 89.7333 -175.8378 63.0595 -55.739 87.4518 -33.1949 -154.0367 157.4088 36.7621 -84.0797 -58.6704 -179.3171 59.8412 134.7208 -7.7151 -6.8698 -149.3056 142.4094 -37.4774 -146.467 33.6462 -5.8352 174.278 131.7703 -47.8244 -158.4889 21.9165 -14.8773 165.5281 0.116 -179.7919 -179.9952 0.0968 59.9967 -60.0587 -179.9815 -120.0866 119.858 -0.0648 91.3535 -87.199 -149.4957 31.9518 -27.8612 153.5863 1.1067 -179.1934 179.7228 -0.5773 -1.1188 179.1657 -179.7389 0.5456 -0.0118 179.9314 -179.7136 0.2296 0.0366 -179.8809 179.7535 -0.1641 179.8822 0.5435 -0.2007 -179.5394 -179.8884 -0.5489 0.1686 179.5082 91.0452 -149.7271 -28.3208 -88.2587 30.969 152.3753 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically Berny optimization. local minimum Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. 0.00009 0.00101 0.00125 0.00187 0.00248 0.00271 0.00277 0.00307 0.01239 0.01447 0.01741 0.01899 0.01910 0.01958 0.01995 0.02029 0.02182 0.02242 0.02403 0.02551 0.02710 0.02807 0.02886 0.03019 0.03158 0.03216 0.03462 0.04434 0.04545 0.04611 0.04746 0.05102 0.05637 0.05696 0.05784 0.06363 0.06508 0.07473 0.09737 0.09843 0.12003 0.12137 0.12335 0.12366 0.12626 0.12701 0.13014 0.13764 0.13973 0.14211 0.14856 0.15030 0.15571 0.15634 0.15878 0.16140 0.17304 0.17894 0.18085 0.18123 0.18323 0.18640 0.18987 0.19363 0.19617 0.21193 0.21596 0.22358 0.22629 0.22860 0.23116 0.23289 0.23482 0.23511 0.25299 0.25877 0.26277 0.27300 0.29910 0.30427 0.30547 0.31568 0.31773 0.32927 0.33098 0.33145 0.33188 0.33431 0.33459 0.33709 0.33889 0.34051 0.34261 0.34433 0.34541 0.34788 0.34845 0.35362 0.35521 0.35592 0.35619 0.35742 0.36060 0.38053 0.39172 0.41193 0.42707 0.44003 0.44098 0.45866 0.47111 0.47748 0.47867 0.50922 0.52648 0.62094 0.84913 Angle between quadratic step and forces= 84.26 degrees. 1 2 3 0.00492987 0.00004995 0.00000000 0.00004834 0.00000001 0.00000001 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 3.30337 2.55179 2.55310 2.55519 2.54042 2.54152 2.54538 2.54483 2.55963 2.74330 2.28412 2.86948 2.88105 2.86977 2.86765 2.89617 2.76995 2.04721 2.80490 2.04665 2.06217 2.06745 2.06660 2.06720 2.05780 2.06842 2.52098 2.04766 2.84932 2.83075 2.05939 2.05926 2.63030 2.63047 2.62324 2.62257 2.63183 2.63154 2.84208 2.06790 2.05964 2.05921 2.01317 2.09409 2.04227 2.02818 2.09934 1.97737 2.13946 1.99325 2.08033 1.97653 2.02195 2.12572 2.01904 2.05765 2.04749 1.99084 1.97408 1.92451 1.91560 1.88576 1.87702 1.88413 1.90998 1.96012 1.92419 1.89488 1.88302 1.88981 2.20384 2.05663 2.02271 2.15051 1.92704 2.20562 2.16208 1.97872 2.14239 1.86954 1.90368 1.90404 1.94268 1.94386 1.89927 1.86672 1.87004 1.95396 1.86926 1.95290 1.94593 2.12429 2.11961 2.03903 2.08710 2.07591 2.12016 2.08547 2.07645 2.12125 2.07369 2.08316 2.12634 2.07392 2.08202 2.12724 2.03230 2.12647 2.12436 1.92699 1.93139 1.93203 1.88091 1.88252 1.90861 0.00175 -3.13303 3.10657 1.00202 -1.07044 0.04153 2.63711 -2.46766 0.12792 -2.49408 0.05671 0.00042 2.55122 0.68322 -1.43042 2.77934 -0.52998 -2.64362 1.56614 -3.06895 1.10060 -0.97283 1.52632 -0.57936 -2.68845 2.74730 0.64162 -1.46747 -1.02399 -3.12967 1.04443 2.35132 -0.13465 -0.11990 -2.60588 2.48551 -0.65410 -2.55633 0.58724 -0.10184 3.04172 2.29982 -0.83469 -2.76615 0.38252 -0.25966 2.88901 0.00202 -3.13796 -3.14151 0.00169 1.04714 -1.04822 -3.14127 -2.09591 2.09192 -0.00113 1.59442 -1.52191 -2.60919 0.55766 -0.48627 2.68059 0.01931 -3.12752 3.13675 -0.01008 -0.01953 3.12703 -3.13704 0.00952 -0.00021 3.14039 -3.13659 0.00401 0.00064 -3.13951 3.13729 -0.00286 3.13954 0.00949 -0.00350 -3.13355 -3.13965 -0.00958 0.00294 3.13301 1.58904 -2.61323 -0.49429 -1.54041 0.54051 2.65945 0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 -0.00001 0.00001 -0.00001 -0.00002 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00003 -0.00001 -0.00001 -0.00001 -0.00000 -0.00004 0.00005 0.00001 -0.00002 -0.00001 0.00002 0.00001 0.00003 -0.00000 0.00000 0.00002 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00010 0.00010 0.00016 -0.00015 0.00007 -0.00007 0.00000 0.00001 -0.00020 0.00019 -0.00002 -0.00001 -0.00002 -0.00003 0.00009 -0.00002 0.00005 -0.00001 0.00001 -0.00005 -0.00000 0.00008 0.00001 -0.00004 0.00001 -0.00003 -0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00001 0.00001 0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00001 -0.00001 0.00004 -0.00001 -0.00003 -0.00001 -0.00003 -0.00003 0.00002 0.00002 0.00001 0.00003 0.00003 -0.00003 0.00003 -0.00001 -0.00005 -0.00002 0.00000 0.00002 -0.00002 -0.00009 0.00011 0.00002 0.00010 -0.00013 0.00028 -0.00042 0.00014 -0.00027 0.00042 -0.00015 0.00002 -0.00090 0.00088 -0.00001 0.00020 -0.00019 0.00062 -0.00066 0.00004 -0.00006 -0.00008 0.00046 0.00046 0.00047 0.00001 0.00008 0.00010 0.00017 -0.00008 0.00001 -0.00004 0.00005 -0.00006 -0.00007 -0.00007 -0.00007 -0.00007 -0.00008 -0.00015 -0.00015 -0.00016 -0.00047 -0.00046 -0.00047 -0.00043 -0.00041 -0.00043 -0.00039 -0.00038 -0.00039 -0.00017 -0.00006 -0.00011 0.00001 0.00068 0.00068 0.00069 0.00069 0.00061 0.00061 0.00027 0.00025 0.00027 0.00025 0.00017 0.00015 0.00000 -0.00004 0.00001 -0.00003 0.00010 0.00008 0.00008 0.00013 0.00011 0.00011 -0.00038 -0.00040 -0.00041 -0.00043 -0.00036 -0.00038 -0.00002 -0.00000 0.00000 0.00002 0.00001 0.00002 -0.00001 0.00000 -0.00002 -0.00003 -0.00004 -0.00005 -0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00006 -0.00003 0.00004 0.00004 -0.00005 0.00005 -0.00003 -0.02127 -0.02038 -0.02032 -0.02119 -0.02030 -0.02024 0.00001 0.00000 -0.00001 0.00003 -0.00001 -0.00001 -0.00001 -0.00000 -0.00004 0.00005 0.00001 -0.00002 -0.00001 0.00002 0.00001 0.00003 -0.00000 0.00000 0.00002 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00010 0.00010 0.00016 -0.00015 0.00007 -0.00007 0.00000 0.00001 -0.00020 0.00019 -0.00002 -0.00001 -0.00002 -0.00003 0.00009 -0.00002 0.00005 -0.00001 0.00001 -0.00005 -0.00000 0.00008 0.00001 -0.00004 0.00001 -0.00003 -0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00001 0.00001 0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00001 -0.00001 0.00004 -0.00001 -0.00003 -0.00001 -0.00003 -0.00003 0.00002 0.00002 0.00001 0.00003 0.00003 -0.00003 0.00003 -0.00001 -0.00005 -0.00002 0.00000 0.00002 -0.00002 -0.00009 0.00011 0.00002 0.00010 -0.00013 0.00028 -0.00042 0.00014 -0.00027 0.00042 -0.00015 0.00002 -0.00090 0.00088 -0.00001 0.00020 -0.00019 0.00062 -0.00066 0.00004 -0.00006 -0.00008 0.00046 0.00046 0.00047 0.00001 0.00008 0.00010 0.00017 -0.00008 0.00001 -0.00004 0.00005 -0.00006 -0.00007 -0.00007 -0.00007 -0.00007 -0.00008 -0.00015 -0.00015 -0.00016 -0.00047 -0.00046 -0.00047 -0.00043 -0.00041 -0.00043 -0.00039 -0.00038 -0.00039 -0.00017 -0.00006 -0.00011 0.00001 0.00068 0.00068 0.00069 0.00069 0.00061 0.00061 0.00027 0.00025 0.00027 0.00025 0.00017 0.00015 0.00000 -0.00004 0.00001 -0.00003 0.00010 0.00008 0.00008 0.00013 0.00011 0.00011 -0.00038 -0.00040 -0.00041 -0.00043 -0.00036 -0.00038 -0.00002 -0.00000 0.00000 0.00002 0.00001 0.00002 -0.00001 0.00000 -0.00002 -0.00003 -0.00004 -0.00005 -0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00006 -0.00003 0.00004 0.00004 -0.00005 0.00005 -0.00003 -0.02127 -0.02038 -0.02032 -0.02119 -0.02030 -0.02024 3.30338 2.55179 2.55309 2.55522 2.54041 2.54151 2.54536 2.54483 2.55959 2.74335 2.28414 2.86947 2.88103 2.86979 2.86766 2.89620 2.76994 2.04721 2.80492 2.04665 2.06218 2.06745 2.06660 2.06720 2.05780 2.06842 2.52098 2.04766 2.84931 2.83074 2.05939 2.05926 2.63020 2.63057 2.62341 2.62242 2.63191 2.63146 2.84208 2.06792 2.05944 2.05940 2.01315 2.09409 2.04225 2.02815 2.09943 1.97735 2.13952 1.99324 2.08033 1.97648 2.02194 2.12580 2.01904 2.05761 2.04749 1.99081 1.97408 1.92450 1.91559 1.88577 1.87702 1.88414 1.90996 1.96013 1.92418 1.89487 1.88303 1.88982 2.20384 2.05664 2.02271 2.15050 1.92705 2.20561 2.16212 1.97871 2.14236 1.86953 1.90365 1.90401 1.94270 1.94388 1.89928 1.86675 1.87007 1.95393 1.86929 1.95290 1.94588 2.12427 2.11961 2.03904 2.08709 2.07582 2.12027 2.08550 2.07655 2.12113 2.07397 2.08274 2.12648 2.07365 2.08245 2.12709 2.03231 2.12557 2.12524 1.92698 1.93159 1.93183 1.88153 1.88186 1.90865 0.00169 -3.13312 3.10704 1.00248 -1.06997 0.04154 2.63719 -2.46755 0.12809 -2.49416 0.05672 0.00039 2.55127 0.68315 -1.43049 2.77926 -0.53005 -2.64369 1.56606 -3.06910 1.10044 -0.97299 1.52585 -0.57982 -2.68892 2.74687 0.64121 -1.46789 -1.02438 -3.13005 1.04403 2.35115 -0.13471 -0.12001 -2.60587 2.48620 -0.65343 -2.55564 0.58793 -0.10123 3.04233 2.30009 -0.83444 -2.76589 0.38276 -0.25948 2.88916 0.00203 -3.13800 -3.14150 0.00166 1.04724 -1.04814 -3.14119 -2.09577 2.09203 -0.00102 1.59404 -1.52231 -2.60960 0.55723 -0.48663 2.68020 0.01929 -3.12752 3.13675 -0.01005 -0.01951 3.12705 -3.13704 0.00952 -0.00022 3.14036 -3.13663 0.00396 0.00063 -3.13950 3.13728 -0.00286 3.13952 0.00954 -0.00353 -3.13351 -3.13961 -0.00962 0.00300 3.13298 1.56776 -2.63361 -0.51462 -1.56160 0.52022 2.63921 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000020 0.000003 0.039537 0.004930 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -1.220993e-07 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 686 A 686 1101 713 106 106 2647.3235013992 41 41 41 1.00e+00 60 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 Grimme-D3 -0.0427867284 0.000000 3.075139 0.000000 3.074990 2.170898 0.000000 3.932870 2.174463 2.174389 0.000000 8.233758 8.579824 9.968586 8.665572 0.000000 9.530175 10.668438 11.212436 9.998925 4.726272 0.000000 11.725375 12.381596 13.118216 11.607327 5.437568 2.688434 0.000000 10.698513 10.635543 12.072945 10.481437 2.688013 5.436729 4.725932 0.000000 6.345350 7.368517 8.072983 6.942535 3.431136 3.353317 5.399706 5.448157 0.000000 5.087410 6.980433 7.433727 6.914549 4.872993 4.761916 7.220653 7.293926 2.255942 0.000000 4.549669 6.034379 5.742890 5.104114 6.856720 5.979115 8.225334 8.883897 3.619326 3.155797 0.000000 3.187044 4.710239 4.706663 4.188175 6.483498 6.672080 8.870991 8.730207 3.714071 2.975114 1.518465 0.000000 4.588245 5.735301 6.004975 5.046701 5.377855 5.226089 7.348186 7.457030 2.332401 2.406651 1.524585 1.532588 0.000000 5.383421 6.337033 5.775610 4.913931 7.743011 6.572746 8.551571 9.481038 4.570258 4.595713 1.518615 2.629959 2.583682 0.000000 5.151907 7.178854 6.719267 6.425090 7.494850 5.959644 8.437203 9.583318 4.150131 3.116714 1.517493 2.588763 2.638269 2.536073 0.000000 2.726768 3.422393 3.420747 2.728297 7.067865 7.794123 9.776463 9.208323 4.712601 4.295019 2.617530 1.465792 2.586283 3.068225 3.865871 0.000000 5.204609 6.633653 7.134471 6.293526 4.446198 4.328290 6.620857 6.698325 1.354497 1.208706 2.629078 2.584661 1.484289 3.879943 3.072246 3.791544 0.000000 1.748070 2.370496 2.370216 2.365533 7.794372 8.967405 10.965588 10.029463 5.772664 5.092528 3.796896 2.498379 3.789612 4.271306 4.838796 1.334047 4.798616 0.000000 7.280253 8.460367 9.291583 8.254300 2.845016 2.837606 4.874682 4.878284 1.451691 2.655139 4.868387 4.927325 3.677547 5.917505 5.096137 5.995711 2.371829 6.946283 0.000000 2.724042 1.350348 1.351041 1.352150 8.676606 10.152483 11.966107 10.742971 6.951800 6.519877 5.054138 3.886323 5.027234 5.201712 6.198828 2.495882 6.120685 1.507796 8.164213 0.000000 8.521176 9.341011 10.290425 9.012706 2.364756 2.364216 3.639554 3.639110 2.373044 4.121039 5.925967 6.078092 4.690384 6.737012 6.281465 7.000996 3.628161 8.006274 1.497966 9.094092 0.000000 8.904740 9.362798 10.565566 9.175153 1.344332 3.607712 4.093399 2.354403 3.234740 5.008858 6.812524 6.738239 5.427840 7.583329 7.357760 7.453344 4.479810 8.352585 2.524537 9.294703 1.391893 0.000000 9.532379 10.384928 11.174345 9.832645 3.607870 1.344915 2.354179 4.091960 3.194367 4.956015 6.385038 6.830821 5.353728 7.007847 6.617015 7.808934 4.422428 8.924387 2.521321 10.017392 1.391985 2.371456 0.000000 10.721062 11.323178 12.198017 10.705617 4.090766 2.354351 1.346955 3.605675 4.409779 6.306040 7.565767 8.018688 6.514168 8.035185 7.886846 8.885577 5.701907 10.009788 3.802825 11.002012 2.425817 2.746750 1.387806 0.000000 10.168356 10.395731 11.644294 10.106587 2.353787 4.090204 3.606404 1.346667 4.439177 6.347714 7.929658 7.940468 6.575447 8.541382 8.517206 8.575693 5.746649 9.504785 3.804804 10.349871 2.425306 1.388161 2.745576 2.367707 0.000000 11.048362 11.361904 12.450841 10.864680 3.641519 3.641815 2.364994 2.363825 4.962092 6.944318 8.302744 8.553866 7.091021 8.780799 8.790385 9.269545 6.306852 10.310614 4.348316 11.189523 2.850445 2.430675 2.429893 1.392706 1.392549 0.000000 12.435273 12.553934 13.688260 11.995184 4.883299 4.885581 2.848306 2.844026 6.416182 8.440585 9.657637 9.938281 8.467724 10.015303 10.184916 10.576564 7.767845 11.620521 5.852221 12.412268 4.354393 3.814123 3.814505 2.532070 2.530452 1.503964 0.000000 2.761168 4.914852 4.954120 4.821832 6.588994 6.914412 9.254894 9.014343 3.967240 2.601434 2.197331 1.083335 2.198422 3.519802 2.680793 2.169529 2.676895 2.731194 4.948341 4.233583 6.257832 6.938557 7.096596 8.360146 8.226955 8.903759 10.341363 0.000000 5.123415 5.679520 6.092799 4.769028 5.154615 5.237415 7.042636 6.981657 2.432061 3.282222 2.220026 2.246111 1.083039 2.693255 3.522505 2.766806 2.164995 4.020140 3.878617 5.014879 4.585301 5.161028 5.203298 6.206028 6.171059 6.672065 7.962193 3.098636 0.000000 5.425072 5.828159 5.426736 4.215257 7.541034 6.831473 8.576239 9.152087 4.653377 5.025659 2.190376 2.830288 2.715588 1.091256 3.496823 2.823233 4.141081 4.039620 6.081497 4.738779 6.758408 7.437630 7.085828 8.005562 8.318538 8.611498 9.779707 3.872205 2.418762 0.000000 5.325326 6.379806 5.449286 4.908048 8.753606 7.559952 9.588306 10.555417 5.571591 5.302395 2.157338 3.076037 3.464153 1.094047 2.817485 3.312172 4.747102 4.296102 6.889367 5.129904 7.782139 8.641350 8.056878 9.103568 9.624336 9.870220 11.105457 3.835801 3.681609 1.768466 0.000000 6.417606 7.386168 6.852370 5.905530 7.876405 6.067348 7.965644 9.417187 4.631154 4.900972 2.150548 3.511132 3.078751 1.093597 2.752965 4.106980 4.148628 5.344855 5.898310 6.270851 6.582572 7.529009 6.636028 7.602383 8.392380 8.459284 9.640010 4.333044 3.109583 1.762475 1.769309 0.000000 5.131907 7.282263 6.505785 6.489053 8.540332 6.993126 9.459390 10.654221 5.221836 4.057480 2.145705 3.062825 3.511298 2.770156 1.093914 4.110717 4.098799 4.915111 6.176639 6.203668 7.375136 8.440642 7.694129 8.952762 9.601255 9.869530 11.251952 3.091898 4.345414 3.793884 2.606802 3.070671 0.000000 4.953248 7.257968 6.981192 6.820751 7.137632 5.866302 8.456806 9.383211 3.968305 2.412605 2.177847 2.726004 2.812663 3.489780 1.088940 4.133415 2.774595 4.959872 4.689561 6.419735 6.019745 7.090988 6.480750 7.820230 8.332400 8.693521 10.141927 2.409212 3.846308 4.344120 3.808640 3.764672 1.772313 0.000000 6.224307 8.119461 7.681308 7.221649 7.577808 5.346620 7.796733 9.466961 4.166741 3.503000 2.156509 3.474188 3.100284 2.791981 1.094563 4.734814 3.359240 5.811941 5.016079 7.127356 6.059411 7.246532 6.168792 7.394940 8.314138 8.417689 9.766653 3.672277 3.828826 3.780135 3.188663 2.559786 1.769271 1.769606 0.000000 3.691002 3.610826 3.609464 2.300625 7.170904 7.820456 9.595922 9.074969 4.877342 4.922436 2.896637 2.192255 2.822829 2.851914 4.327356 1.083573 4.189796 2.053368 6.257765 2.639259 7.076622 7.470869 7.791614 8.755945 8.472724 9.101697 10.323681 3.114693 2.601212 2.242484 3.173000 3.835798 4.599246 4.783481 5.035857 0.000000 7.597033 9.093849 9.740850 8.851143 3.827187 2.527444 4.924441 5.700854 2.080611 2.595391 4.919740 5.182070 3.996861 6.017992 4.820609 6.416518 2.627159 7.386254 1.089783 8.700743 2.148931 3.376142 2.694454 4.059311 4.539622 4.854594 6.334471 5.100551 4.390853 6.363440 6.928921 5.897384 5.879885 4.336138 4.609695 6.752780 0.000000 6.966611 8.174945 9.169120 8.250894 2.505699 3.842102 5.714293 4.915443 2.080820 2.646605 5.283552 5.042261 4.019023 6.466618 5.529698 6.039666 2.655541 6.819482 1.089713 8.027954 2.149712 2.684641 3.386711 4.549322 4.054515 4.857843 6.337527 4.895470 4.296550 6.600343 7.385866 6.601419 6.565587 4.971460 5.628917 6.419372 1.772373 0.000000 12.519140 12.421755 13.532334 11.731950 5.304686 5.329750 3.261099 3.220276 6.647375 8.791405 9.679239 9.983005 8.516638 9.884066 10.324458 10.507269 7.995891 11.568845 6.310306 12.260409 4.842339 4.291395 4.305850 3.059672 3.038640 2.146432 1.094287 10.488810 7.892097 9.554503 10.967556 9.496597 11.365410 10.386257 9.908917 10.146060 6.863923 6.850850 0.000000 12.821606 12.856950 14.128968 12.447487 4.918204 5.701761 3.830808 2.520067 6.981907 8.937263 10.352698 10.504018 9.081021 10.786595 10.908091 11.098872 8.322499 12.067454 6.323084 12.824301 4.848519 4.056446 4.541047 3.377160 2.690576 2.146286 1.089915 10.855198 8.585133 10.520288 11.880433 10.484950 11.987338 10.796228 10.558106 10.879189 6.866963 6.644812 1.764456 0.000000 13.145311 13.415794 14.457672 12.796849 5.710261 4.911525 2.504454 3.840863 6.961131 8.913514 10.132924 10.536351 9.035381 10.472256 10.537173 11.264768 8.292990 12.355526 6.323686 13.208025 4.850135 4.547859 4.051803 2.683218 3.384176 2.146567 1.089689 10.922810 8.587721 10.315242 11.549822 10.003641 11.594632 10.499394 10.022641 11.027181 6.642118 6.885403 1.765311 1.778363 0.000000 C17H14ClF7O2 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 0 404.62252239999975 AuxInfo=1/0/N:11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;2;3;4;5;6;7;8;9;10;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0F0F0F0F0F0F0F0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.1384,-.2831,-1.6617;-5.5487,-2.7058,.1873;-6.7876,-1.0395,.821;-5.083,-1.6449,2.0275;2.8714,-2.1681,-1.3706;3.9024,2.2394,-.0108;6.1065,1.3388,1.2376;5.0762,-3.0679,-.1238;1.0264,.5644,-.4207;-.3585,1.43,-1.9769;-2.0476,2.1937,.577;-2.6514,.9943,-.1319;-1.1665,.9938,.2476;-2.3363,2.4297,2.0492;-1.9235,3.4769,-.2234;-3.5603,.0579,.5357;-.169,1.0342,-.8507;-4.6264,-.5308,-.0087;2.0877,.5666,-1.4111;-5.5126,-1.4814,.7558;3.3249,.0634,-.7327;3.6604,-1.2874,-.731;4.1786,.9236,-.048;5.3161,.4571,.5956;4.7995,-1.7505,-.0867;5.6603,-.8924,.5929;6.8876,-1.3996,1.2989;-2.8219,1.1439,-1.1912;-.8696,.3837,1.0918;-2.3534,1.5092,2.6351;-3.3033,2.9268,2.1707;-1.5673,3.0788,2.4773;-2.8509,4.0506,-.1375;-1.7284,3.2889,-1.2781;-1.1094,4.0927,.1719;-3.3612,-.1886,1.5719;2.2252,1.5815,-1.7835;1.8009,-.077,-2.2424;6.6451,-1.6876,2.3264;7.2869,-2.2783,.7926;7.6548,-.627,1.3406; 0.3026686 0.0600597 0.0556297 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 NBasis= 686 RedAO= T EigKep= 1.26D-06 NBF= 686 NBsUse= 685 1.00D-06 EigRej= 9.37D-07 NBFU= 685 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= 680 680 680 680 680 MxSgAt= 41 MxSgA2= 41. 1 Closed 1 1 1 -1966.25082048331 -1966.25082048 1 1.960017880250e+03 -9.933083370595e+03 3.359533955191e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245691381 LenY= 4245182299 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. Using compressed storage, NAtomX= 41. Will process 42 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 12800 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 4246732800 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 690000000 NMat= 123 IRICut= 307 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 0 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 123 NMatS0= 123 NMatT0= 0 NMatD0= 123 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 68.13% of shell-pairs survive, threshold= 0.20 IRatSp=68. There are 126 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 123 vectors produced by pass 0 Test12= 6.14D-14 1.00D-09 XBig12= 2.30D+02 5.86D+00. AX will form 123 AO Fock derivatives at one time. 123 vectors produced by pass 1 Test12= 6.14D-14 1.00D-09 XBig12= 6.69D+01 2.47D+00. 123 vectors produced by pass 2 Test12= 6.14D-14 1.00D-09 XBig12= 7.87D-01 8.94D-02. 123 vectors produced by pass 3 Test12= 6.14D-14 1.00D-09 XBig12= 3.31D-03 4.84D-03. 123 vectors produced by pass 4 Test12= 6.14D-14 1.00D-09 XBig12= 1.34D-05 3.95D-04. 115 vectors produced by pass 5 Test12= 6.14D-14 1.00D-09 XBig12= 2.29D-08 1.11D-05. 62 vectors produced by pass 6 Test12= 6.14D-14 1.00D-09 XBig12= 3.19D-11 3.73D-07. 3 vectors produced by pass 7 Test12= 6.14D-14 1.00D-09 XBig12= 4.60D-14 2.28D-08. 1 vectors produced by pass 8 Test12= 6.14D-14 1.00D-09 XBig12= 8.37D-17 1.35D-09. InvSVY: IOpt=1 It= 1 EMax= 8.99D-15 Solved reduced A of dimension 796 with 126 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 227.75 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 283.147 0.482 213.874 30.438 5.039 186.235 349.401 6.780 328.063 56.160 10.485 294.333 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT112502S 2023-05-13T02:50:08.000 -101.57566 -24.72847 -24.72587 -24.72528 -24.72352 -24.72315 -24.72120 -24.72115 -19.19001 -19.12970 -10.44758 -10.32249 -10.30079 -10.30079 -10.29725 -10.29704 -10.26606 -10.26298 -10.23639 -10.23267 -10.22795 -10.22400 -10.21697 -10.21658 -10.20170 -10.18719 -10.17672 -9.49007 -7.25494 -7.24472 -7.24444 -1.33117 -1.27249 -1.27176 -1.25840 -1.25785 -1.24468 -1.23949 -1.12953 -1.04301 -0.92156 -0.92017 -0.90166 -0.84255 -0.80377 -0.79099 -0.78382 -0.76293 -0.74254 -0.71867 -0.71381 -0.67632 -0.67234 -0.65513 -0.63674 -0.61243 -0.60840 -0.60339 -0.59130 -0.58658 -0.58512 -0.57428 -0.56608 -0.55864 -0.53611 -0.53100 -0.52844 -0.51175 -0.50458 -0.49728 -0.49461 -0.48964 -0.48713 -0.48395 -0.48377 -0.48075 -0.47040 -0.46015 -0.45756 -0.45422 -0.45069 -0.44498 -0.44452 -0.44111 -0.43408 -0.42656 -0.42590 -0.42443 -0.41969 -0.41601 -0.40789 -0.40600 -0.40177 -0.39562 -0.39044 -0.38774 -0.37394 -0.37111 -0.34178 -0.33735 -0.33107 -0.31470 -0.30421 -0.28486 -0.27313 -0.27125 -0.05872 -0.05139 -0.03267 -0.02959 -0.01658 -0.01101 0.00065 0.00639 0.01049 0.01491 0.02041 0.02370 0.02947 0.03266 0.03722 0.03924 0.04166 0.04582 0.04830 0.05278 0.05389 0.06099 0.06279 0.06553 0.06842 0.07074 0.07308 0.07546 0.07935 0.08333 0.08456 0.08785 0.09422 0.09789 0.09975 0.10427 0.10655 0.10952 0.11109 0.11366 0.11714 0.12276 0.12434 0.12887 0.12994 0.13211 0.13424 0.13516 0.13752 0.14330 0.14489 0.14572 0.14672 0.15264 0.15317 0.15765 0.15803 0.16185 0.16426 0.16763 0.16955 0.17437 0.17547 0.17925 0.18064 0.18220 0.18608 0.18864 0.19188 0.19366 0.19492 0.20216 0.20325 0.20644 0.20912 0.21103 0.21447 0.21620 0.22116 0.22423 0.22581 0.23009 0.23162 0.23429 0.23604 0.23882 0.24326 0.24510 0.24702 0.25009 0.25233 0.25322 0.26157 0.26554 0.26946 0.27229 0.27558 0.27856 0.28193 0.28476 0.29051 0.29383 0.29440 0.29830 0.30278 0.30579 0.30945 0.31456 0.31866 0.32405 0.32464 0.32678 0.33091 0.33403 0.33648 0.33991 0.34296 0.34412 0.35099 0.35398 0.35583 0.35896 0.36217 0.36498 0.36771 0.36880 0.37053 0.37456 0.38066 0.38361 0.38579 0.38706 0.39041 0.39381 0.39913 0.40482 0.40745 0.41114 0.41758 0.42076 0.42128 0.42372 0.43254 0.43775 0.43994 0.44757 0.45770 0.46482 0.46893 0.47782 0.48547 0.48986 0.49562 0.50377 0.50428 0.50758 0.51526 0.52277 0.52836 0.53038 0.53744 0.54134 0.55041 0.55339 0.55717 0.56000 0.56290 0.56763 0.57338 0.57816 0.58295 0.58857 0.59664 0.60094 0.60932 0.61773 0.62254 0.62489 0.63482 0.63810 0.63992 0.64709 0.65052 0.65188 0.65913 0.66569 0.66647 0.66826 0.67127 0.68003 0.68349 0.69147 0.69441 0.70018 0.70431 0.71149 0.71685 0.72045 0.72299 0.73246 0.73949 0.74122 0.74716 0.75288 0.75413 0.76138 0.77336 0.77964 0.78861 0.78883 0.79965 0.80896 0.81665 0.82634 0.84370 0.85188 0.85856 0.86864 0.88421 0.88714 0.89818 0.90375 0.91033 0.91901 0.92078 0.93210 0.94201 0.94329 0.95113 0.95661 0.96764 0.97133 0.97899 0.98837 0.99688 1.00300 1.03518 1.04037 1.05526 1.06183 1.06889 1.07198 1.08004 1.08339 1.11328 1.11977 1.12203 1.13281 1.13622 1.14728 1.16114 1.16876 1.17541 1.20251 1.21866 1.23076 1.23893 1.25828 1.27301 1.29543 1.31128 1.32810 1.32883 1.33742 1.34105 1.35271 1.36255 1.37641 1.38207 1.38793 1.39335 1.40274 1.40456 1.40765 1.40911 1.41013 1.41590 1.41930 1.42446 1.43033 1.43615 1.43821 1.44429 1.45184 1.45414 1.45840 1.46633 1.47314 1.47686 1.48050 1.48177 1.49075 1.49437 1.50412 1.50767 1.51352 1.52115 1.52622 1.53291 1.54155 1.54634 1.55113 1.55557 1.55969 1.56857 1.57843 1.58070 1.59625 1.60775 1.61099 1.61761 1.62368 1.63130 1.63486 1.64179 1.65629 1.65944 1.66942 1.67109 1.67592 1.68533 1.68912 1.70043 1.70657 1.71006 1.72168 1.72495 1.73512 1.74676 1.76204 1.77198 1.77920 1.78252 1.79828 1.80904 1.81630 1.82249 1.82852 1.84128 1.84239 1.86079 1.86231 1.87811 1.88495 1.89709 1.90675 1.92884 1.93514 1.93669 1.94865 1.95965 1.96708 1.98056 2.00008 2.00574 2.01247 2.01866 2.02566 2.04833 2.05695 2.06952 2.07830 2.08047 2.08477 2.09897 2.11122 2.12070 2.13685 2.15482 2.15984 2.17443 2.18271 2.20183 2.20449 2.22802 2.23014 2.24017 2.25487 2.27952 2.29843 2.30628 2.31914 2.32886 2.34651 2.37201 2.37974 2.39230 2.40063 2.41690 2.42131 2.43484 2.45934 2.46984 2.47016 2.49193 2.50750 2.51446 2.53038 2.53464 2.53983 2.54018 2.54883 2.57456 2.58809 2.60235 2.60658 2.61367 2.64073 2.64303 2.64809 2.65854 2.67364 2.69535 2.70518 2.71160 2.72085 2.73876 2.74084 2.74870 2.77837 2.78732 2.80509 2.82777 2.84307 2.85025 2.86285 2.86599 2.88495 2.88846 2.89301 2.90764 2.92010 2.93123 2.96775 2.97512 2.98901 3.00394 3.02404 3.05012 3.06522 3.06732 3.06928 3.08619 3.09501 3.09880 3.11705 3.12764 3.16241 3.17317 3.18973 3.19991 3.20547 3.22274 3.24467 3.24979 3.33704 3.36778 3.39353 3.42610 3.43466 3.51337 3.55864 3.58390 3.62757 3.63243 3.66702 3.70117 3.70607 3.73630 3.74139 3.75111 3.75229 3.75425 3.75995 3.76083 3.76547 3.76683 3.76748 3.77554 3.78131 3.78583 3.79240 3.79729 3.80253 3.81421 3.82005 3.82756 3.82988 3.88349 3.89766 3.90496 3.91965 3.92956 3.93625 3.97026 3.97726 3.97997 3.99490 3.99791 4.03435 4.05840 4.10572 4.12750 4.14640 4.15885 4.17640 4.18019 4.19172 4.23577 4.29310 4.37440 4.52114 4.53802 4.68363 4.76902 4.79301 4.87871 4.90720 4.91615 4.91983 4.94808 5.05287 5.09295 5.26575 5.37900 5.64486 5.87891 6.28577 6.29302 6.29867 6.32213 6.33354 6.35463 6.35863 6.36514 6.37955 6.38682 6.40229 6.42037 6.45431 6.49844 6.52184 6.59890 6.71734 6.72274 6.74697 6.80466 6.83327 9.79954 23.40497 23.46253 23.60288 23.77799 23.78463 23.84600 23.85557 23.86515 23.88127 23.93795 23.94837 23.97333 23.97706 23.99299 24.02348 24.10171 24.18362 25.86162 26.16054 26.60670 49.90695 50.01610 66.73524 66.75123 66.76086 66.76487 66.79449 66.80778 66.84372 215.79746 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 Cl F F F F F F F O O C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H 0.419647 -0.071190 -0.072377 -0.154285 -0.184587 -0.184204 -0.198262 -0.196584 0.066420 -0.242774 0.187230 0.151843 -0.221196 -0.496741 -0.519853 -0.340188 -0.320870 -0.391742 0.185857 0.417305 0.673269 -0.518295 -0.270071 -0.557233 -0.491859 1.217203 -0.195197 0.191011 0.167043 0.128788 0.156001 0.158588 0.150481 0.170002 0.147304 0.147877 0.187450 0.189048 0.185440 0.165139 0.164565 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 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 Cl F F F F F F F O O C C C C C C C C C C C C C C C C C 0.419647 -0.071190 -0.072377 -0.154285 -0.184587 -0.184204 -0.198262 -0.196584 0.066420 -0.242774 0.187230 0.342854 -0.054154 -0.053365 -0.052066 -0.192311 -0.320870 -0.391742 0.562355 0.417305 0.673269 -0.518295 -0.270071 -0.557233 -0.491859 1.217203 0.319946 -0.00000 1.52373614e+00 6.77993710e-01 8.24293070e-01 2.83147227e+02 4.81506507e-01 2.13873606e+02 3.04380793e+01 5.03920080e+00 1.86234742e+02 -1.0968 0.0007 0.0015 0.0019 1.0731 3.1446 6.9399 11.1791 16.5484 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 6.9299 11.1726 16.5464 25.4894 34.8114 35.7163 44.6226 64.6516 74.9000 111.1043 120.7732 130.0567 137.0905 159.3100 166.6691 181.5063 195.3560 206.1007 223.0045 225.6781 248.4349 263.0597 280.1472 283.9844 295.1854 298.6268 314.0486 336.3485 346.0380 354.9803 371.1195 387.4835 405.2422 415.3857 448.8010 452.4372 470.7307 481.3181 487.4685 535.0018 549.3604 570.5582 605.9341 622.1559 647.0487 656.2203 666.0840 687.5267 716.0708 720.6257 732.8036 767.0675 795.0058 840.4373 884.4538 902.1177 920.9085 946.3420 955.3636 971.3435 980.3121 993.5135 1015.8507 1037.8310 1042.9286 1056.4083 1082.9489 1087.7681 1111.4667 1118.3062 1122.3650 1134.5802 1136.7753 1140.4786 1173.4498 1199.9600 1246.0639 1269.5712 1277.7492 1292.4998 1318.3337 1328.7035 1335.7011 1387.1298 1409.4522 1415.8205 1419.9592 1431.2817 1433.5499 1463.4251 1476.8987 1486.8901 1489.1093 1494.4913 1502.4124 1506.5718 1512.9584 1516.2961 1516.9738 1635.7317 1683.6214 1702.1265 1775.0057 3023.2805 3027.6081 3038.2200 3078.5835 3082.4916 3086.0280 3103.1507 3104.1189 3132.6219 3134.0890 3138.4809 3168.5443 3172.8160 3188.2705 9.5852 12.2612 9.8886 9.0476 1.0359 5.8145 16.6728 7.0869 6.1035 5.6300 6.2887 15.8986 5.9889 5.7996 4.7123 2.1941 6.3778 5.1297 4.9471 1.4690 4.0638 2.4202 3.7315 3.0290 3.3137 7.5508 8.8722 4.9739 5.1485 7.4643 12.5277 3.7348 3.1217 12.6195 3.8994 13.5021 5.4404 8.6311 6.5716 3.5066 12.0128 7.2497 6.8958 8.4967 6.4235 7.9402 4.5418 12.1482 4.4311 7.8358 9.5422 5.6680 6.5360 4.8627 2.6890 3.2317 1.8116 5.9378 4.3694 7.1674 1.4732 1.7640 1.6468 1.9825 2.0844 1.4758 1.7084 2.4044 1.6547 5.2732 11.8805 4.5488 5.8693 1.9314 2.4348 4.2641 2.5731 1.2722 5.5628 6.0654 2.0036 1.4007 4.2539 1.4525 2.3602 1.4296 1.3667 1.9688 1.2548 2.0909 1.4407 1.1187 1.0482 1.0491 4.4561 1.1844 1.0910 1.3402 1.9551 8.0737 11.6392 7.2831 11.5769 1.0383 1.0372 1.0428 1.1015 1.0571 1.1017 1.0918 1.1007 1.1098 1.0981 1.1041 1.0906 1.0872 1.0868 0.0003 0.0009 0.0016 0.0035 0.0007 0.0044 0.0196 0.0175 0.0202 0.0409 0.0540 0.1584 0.0663 0.0867 0.0771 0.0426 0.1434 0.1284 0.1450 0.0441 0.1478 0.0987 0.1725 0.1439 0.1701 0.3967 0.5156 0.3315 0.3632 0.5542 1.0166 0.3304 0.3020 1.2829 0.4628 1.6284 0.7103 1.1781 0.9201 0.5913 2.1360 1.3905 1.4917 1.9378 1.5845 2.0146 1.1872 3.3833 1.3387 2.3975 3.0191 1.9649 2.4339 2.0236 1.2393 1.5496 0.9052 3.1331 2.3497 3.9844 0.8341 1.0259 1.0013 1.2581 1.3358 0.9704 1.1805 1.6762 1.2044 3.8855 8.8177 3.4500 4.4687 1.4801 1.9754 3.6175 2.3539 1.2081 5.3510 5.9699 2.0517 1.4569 4.4715 1.6467 2.7625 1.6884 1.6236 2.3763 1.5193 2.6383 1.8515 1.4572 1.3694 1.3805 5.9262 1.5838 1.4715 1.8155 2.6507 12.7277 19.4385 12.4323 21.4903 5.5915 5.6017 5.6713 6.1507 5.9181 6.1816 6.1943 6.2490 6.4168 6.3552 6.4074 6.4511 6.4486 6.5092 0.1773 0.0856 0.0677 0.0904 0.1524 0.2574 0.1312 1.5116 0.3354 0.9279 0.5497 0.0568 0.8302 1.1434 0.5022 0.2691 0.4489 1.7446 1.7061 0.2722 3.2875 3.2184 0.2681 2.6961 2.9935 1.5105 2.9270 7.2249 3.3546 8.9545 0.0468 0.6990 0.1351 0.0050 11.0763 0.0220 4.4224 10.4287 0.3313 6.9418 0.8854 1.0913 28.3377 2.5007 19.3941 8.6130 3.4648 0.0019 0.2601 12.0325 3.7309 11.5976 67.0696 49.5481 79.2869 22.5986 50.2919 28.3633 52.5472 20.8966 8.3090 14.4176 26.9603 14.7418 8.6492 7.5911 23.3030 140.5304 75.8326 10.6536 295.3987 287.8925 9.6517 120.1742 453.8559 288.8772 269.8594 12.1398 219.8277 106.1231 43.0282 10.5849 16.8618 135.7663 0.6966 2.0377 16.1107 3.2229 7.5215 68.7940 72.6830 11.1374 3.5891 9.2256 8.7260 2.9973 14.4115 106.7623 214.4140 0.0589 7.8399 48.5494 231.0273 16.6087 40.2148 10.4575 12.3644 7.1921 30.9201 7.9273 23.4435 2.2046 3.4992 2.7184 1.3480 1.0597 1.4611 -0.11 0.15 0.03 -0.20 0.09 -0.07 -0.08 0.14 0.04 -0.08 -0.02 -0.03 0.18 -0.09 -0.02 -0.13 -0.02 -0.01 -0.08 0.13 0.01 0.23 0.06 0.00 0.00 -0.15 -0.03 0.00 -0.12 -0.01 0.06 -0.11 0.03 0.01 -0.06 0.01 0.01 -0.13 -0.01 0.09 -0.13 0.04 0.11 -0.09 0.06 -0.02 -0.04 -0.01 0.01 -0.14 -0.02 -0.07 0.04 0.00 0.00 -0.14 -0.03 -0.11 0.06 -0.01 0.03 -0.06 -0.02 0.11 -0.04 -0.01 -0.04 -0.00 -0.01 -0.02 0.07 0.00 0.14 0.04 -0.00 0.07 0.10 0.01 0.10 0.18 0.02 0.00 -0.03 0.01 -0.00 -0.16 -0.03 0.06 -0.15 0.02 0.11 -0.10 0.06 0.12 -0.17 0.05 0.13 -0.06 0.09 0.09 -0.07 0.06 0.14 -0.13 0.07 -0.01 -0.10 -0.02 -0.04 -0.14 -0.07 0.03 -0.18 -0.01 0.11 0.15 0.02 0.17 0.21 0.02 0.05 0.23 0.04 0.03 -0.11 0.02 0.05 0.00 0.17 0.02 0.03 0.05 0.02 0.13 0.10 0.16 0.02 -0.28 -0.17 -0.06 0.25 -0.20 -0.07 0.29 0.14 0.02 -0.25 -0.00 0.00 -0.04 0.01 -0.03 -0.06 -0.00 0.06 -0.10 0.00 0.03 -0.04 0.00 0.05 -0.05 0.01 0.13 -0.11 -0.01 0.03 -0.16 0.01 0.05 0.00 0.00 0.00 -0.05 0.02 0.01 0.03 0.00 -0.01 -0.03 0.03 0.04 0.09 -0.01 -0.02 -0.02 0.07 -0.00 -0.14 -0.10 -0.04 0.13 -0.11 -0.05 0.15 0.06 -0.00 -0.12 -0.03 -0.03 0.02 -0.05 -0.03 0.04 -0.00 -0.02 -0.05 0.01 0.09 -0.02 0.02 0.16 -0.07 0.00 0.13 -0.13 0.00 0.15 -0.15 -0.01 0.03 -0.18 -0.02 -0.02 -0.15 -0.01 0.05 -0.19 0.01 0.12 0.02 0.02 -0.01 -0.03 0.01 -0.01 -0.03 -0.09 -0.15 -0.00 0.03 0.04 -0.02 -0.09 0.00 0.17 0.21 -0.14 -0.09 0.11 -0.01 0.07 -0.07 -0.01 -0.26 -0.20 0.19 0.03 0.01 -0.08 0.02 -0.11 -0.04 -0.05 -0.05 0.05 -0.09 0.07 0.00 -0.02 -0.05 -0.08 0.03 -0.04 0.03 0.09 0.03 0.04 0.14 -0.03 0.09 0.10 -0.02 0.01 0.09 0.06 0.00 0.15 0.09 0.06 0.18 -0.07 0.11 0.07 -0.04 -0.01 0.07 0.02 0.02 -0.01 -0.08 -0.10 0.01 -0.03 0.05 -0.04 -0.05 -0.06 -0.01 -0.01 -0.05 -0.00 -0.06 -0.03 -0.04 -0.03 0.02 -0.06 0.02 -0.01 -0.03 0.01 0.03 -0.06 0.05 0.08 -0.08 -0.02 0.13 0.11 -0.04 -0.03 0.07 0.04 -0.01 0.12 0.09 0.04 0.18 0.10 -0.04 0.16 0.12 0.10 0.21 0.07 0.09 0.17 0.13 0.01 0.19 -0.18 0.19 0.11 -0.10 -0.11 -0.03 -0.09 -0.14 0.04 0.08 0.08 -0.08 0.06 0.09 -0.09 0.02 0.10 -0.11 -0.01 0.11 0.04 0.20 -0.02 -0.08 0.11 -0.14 0.05 0.18 -0.10 -0.04 0.02 -0.12 -0.03 -0.14 -0.05 -0.13 -0.19 0.04 0.02 -0.03 -0.03 0.12 -0.03 -0.06 -0.10 -0.00 0.14 -0.02 0.05 0.07 0.04 0.01 0.10 0.02 0.03 0.07 -0.02 0.10 0.02 0.06 0.05 0.09 0.08 0.05 0.06 0.01 -0.00 0.06 -0.05 0.06 0.04 0.01 -0.05 -0.13 -0.12 0.14 -0.05 -0.01 -0.05 -0.08 -0.09 -0.03 -0.08 -0.03 -0.11 -0.04 -0.07 -0.13 0.00 0.01 -0.05 -0.03 0.05 -0.11 0.01 0.07 -0.14 0.06 0.17 -0.02 0.14 0.03 0.03 0.03 -0.05 0.09 -0.00 0.03 0.11 0.04 0.11 0.13 -0.01 0.06 0.06 0.10 0.13 0.02 0.12 0.07 0.07 0.07 0.08 0.09 0.01 -0.01 -0.05 -0.15 -0.19 -0.06 -0.18 -0.08 -0.19 0.11 0.17 -0.10 0.04 0.23 -0.15 0.07 0.17 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.02 0.01 -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.03 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.13 0.59 0.20 -0.29 -0.30 0.35 0.20 -0.13 -0.49 0.04 -0.07 -0.01 -0.06 0.01 0.07 -0.01 0.07 -0.00 -0.05 0.05 0.04 -0.01 0.10 -0.10 0.07 0.07 -0.07 -0.03 -0.00 0.07 -0.13 0.02 0.05 0.04 0.01 -0.10 -0.03 -0.04 -0.07 0.09 -0.10 0.05 0.03 -0.04 0.01 0.04 -0.11 -0.05 0.16 -0.16 0.07 0.10 -0.06 0.10 0.01 -0.03 0.01 0.01 -0.05 -0.08 0.01 -0.03 0.01 0.05 0.10 -0.09 -0.03 0.02 0.03 0.04 0.08 -0.09 -0.01 0.07 -0.06 0.03 0.06 -0.05 -0.03 0.02 0.02 -0.07 0.03 0.01 -0.08 0.01 0.06 -0.16 -0.04 0.16 -0.01 0.01 0.02 0.06 -0.15 -0.10 0.17 -0.19 0.03 0.18 -0.14 0.14 0.20 -0.20 0.06 0.13 -0.03 0.17 0.05 -0.02 0.09 0.14 -0.11 0.10 -0.00 -0.01 0.01 0.03 0.13 -0.03 0.07 0.15 -0.14 -0.24 -0.00 0.15 -0.16 -0.07 0.20 -0.12 -0.07 0.20 -0.23 0.23 0.09 0.43 -0.11 0.13 -0.14 -0.37 -0.28 -0.19 0.23 0.09 -0.00 0.06 0.00 0.07 0.03 0.04 0.06 -0.02 0.03 -0.01 0.01 -0.01 0.02 0.00 -0.01 -0.03 -0.19 -0.08 0.05 -0.05 -0.04 -0.02 -0.02 -0.03 -0.02 -0.09 -0.05 0.09 -0.02 -0.04 0.12 -0.06 -0.05 -0.04 0.01 -0.01 -0.01 -0.11 -0.05 -0.11 0.10 0.04 0.04 0.06 0.02 -0.01 -0.03 -0.00 0.03 0.04 0.02 0.01 0.04 0.01 0.05 0.02 0.03 0.04 -0.00 0.02 0.01 0.01 0.00 0.02 -0.01 0.01 0.02 -0.03 -0.00 -0.04 -0.01 -0.02 -0.03 -0.10 -0.05 0.03 -0.02 -0.04 0.13 0.04 -0.02 0.14 -0.08 -0.05 0.15 -0.00 -0.04 0.09 -0.08 -0.05 0.16 -0.10 -0.07 0.02 -0.06 -0.04 0.03 0.07 0.06 0.07 0.09 -0.02 0.02 -0.02 -0.00 -0.00 -0.04 -0.01 0.03 -0.05 -0.01 -0.08 0.01 0.01 -0.00 -0.03 0.14 -0.02 0.03 -0.07 -0.08 0.14 0.06 0.07 -0.04 -0.03 0.03 -0.02 -0.06 0.00 0.00 -0.01 0.04 -0.02 0.03 0.03 -0.05 -0.05 0.14 0.36 0.07 -0.07 -0.06 -0.01 0.05 -0.09 -0.07 0.05 0.03 -0.02 -0.15 -0.16 -0.00 -0.20 -0.01 0.06 0.08 -0.12 -0.08 0.08 0.14 0.01 0.01 -0.04 -0.02 0.04 -0.03 -0.04 -0.02 0.02 0.03 0.04 -0.03 -0.04 0.05 -0.03 -0.02 0.03 -0.02 -0.04 0.02 -0.01 -0.01 0.03 -0.02 0.01 0.02 -0.01 0.02 -0.00 0.00 0.06 0.05 -0.07 -0.06 0.07 0.02 -0.04 -0.02 -0.18 -0.03 -0.23 -0.31 -0.01 -0.26 -0.05 0.04 -0.27 -0.12 0.07 -0.15 0.06 0.05 -0.28 0.06 0.11 0.12 -0.16 -0.09 0.04 -0.03 -0.04 0.05 -0.03 -0.05 -0.03 0.01 0.06 0.02 -0.00 0.08 -0.00 0.00 0.07 0.12 0.10 0.07 -0.02 0.00 -0.06 -0.02 0.02 -0.11 -0.13 -0.06 0.01 0.05 -0.01 -0.10 0.02 0.00 -0.11 -0.04 0.01 0.00 -0.00 -0.00 -0.00 0.08 0.08 0.07 -0.05 -0.14 0.06 -0.04 0.01 0.01 0.08 -0.10 0.11 0.07 0.05 0.14 -0.10 0.11 -0.02 -0.14 -0.05 -0.11 0.07 -0.09 0.12 0.03 -0.01 0.10 0.05 -0.02 0.07 -0.01 -0.01 -0.03 -0.03 -0.02 -0.02 0.03 -0.00 -0.08 0.03 -0.00 -0.08 0.02 0.00 -0.08 -0.02 0.00 -0.03 0.00 -0.00 -0.03 -0.03 -0.00 0.01 -0.09 -0.01 0.11 0.12 -0.20 0.09 0.12 0.15 0.20 -0.05 0.16 0.05 -0.15 0.04 -0.10 -0.17 0.21 -0.05 -0.21 -0.15 -0.20 -0.08 -0.13 -0.08 -0.23 0.08 -0.14 0.06 -0.13 0.11 -0.01 -0.04 -0.10 -0.09 -0.06 0.04 -0.17 0.01 0.10 -0.06 -0.02 0.16 -0.08 -0.02 0.16 -0.09 -0.06 -0.07 0.02 0.01 0.01 -0.01 -0.04 0.07 0.08 0.04 -0.02 0.10 0.01 -0.12 0.10 0.01 -0.12 0.04 0.00 -0.05 0.05 0.00 -0.05 0.01 -0.01 0.13 0.00 -0.06 0.11 -0.03 0.03 0.03 -0.04 0.07 -0.03 -0.06 -0.01 0.08 -0.19 0.03 0.00 0.14 0.04 0.07 -0.09 0.09 -0.07 -0.01 -0.04 0.12 -0.07 0.04 -0.06 -0.03 -0.02 0.07 0.00 0.02 -0.00 0.02 -0.00 -0.02 0.05 0.00 -0.06 0.05 0.00 -0.06 0.03 -0.00 -0.03 0.04 -0.00 -0.03 -0.00 -0.01 0.03 -0.10 -0.03 0.19 0.03 0.06 -0.04 -0.14 -0.04 0.09 -0.26 0.03 0.00 -0.20 0.04 -0.11 -0.23 0.03 0.09 0.18 0.12 0.02 0.20 0.06 0.08 0.16 -0.05 0.15 -0.11 0.11 -0.06 -0.06 -0.02 0.05 -0.08 -0.02 0.09 -0.25 0.01 0.17 -0.07 -0.06 0.27 -0.08 -0.06 0.27 -0.01 0.04 -0.05 0.04 -0.00 0.08 0.08 0.07 0.00 0.11 0.12 -0.01 -0.07 -0.05 0.08 -0.07 -0.02 -0.02 -0.09 -0.00 0.06 0.00 -0.01 -0.01 0.09 0.26 0.06 -0.07 -0.23 -0.06 -0.02 -0.04 0.05 0.07 -0.03 -0.05 0.04 0.01 0.02 -0.16 -0.16 0.04 -0.00 0.01 0.13 0.09 -0.06 -0.10 0.02 0.02 0.01 0.06 -0.02 -0.08 -0.00 -0.00 -0.03 0.07 0.04 -0.01 -0.02 -0.02 -0.02 -0.04 -0.03 0.02 -0.04 -0.02 -0.01 -0.05 -0.00 0.01 -0.02 -0.01 -0.01 -0.02 0.00 -0.02 0.03 0.03 -0.09 0.11 -0.00 -0.05 0.05 -0.01 0.00 -0.09 -0.19 -0.01 -0.24 -0.29 -0.02 -0.28 -0.08 0.14 -0.05 -0.05 0.03 0.15 0.07 0.15 -0.09 0.04 0.28 0.11 -0.10 -0.12 0.08 -0.08 -0.20 -0.13 -0.11 0.10 0.10 0.02 -0.08 0.03 0.05 -0.12 0.01 0.05 -0.13 0.02 0.03 -0.02 0.02 0.00 0.03 0.04 0.03 0.00 0.06 0.05 -0.00 0.19 0.06 -0.35 -0.28 -0.06 0.37 0.19 0.07 -0.34 -0.26 -0.05 0.37 0.02 -0.03 0.02 -0.01 -0.07 0.03 0.00 -0.03 0.00 0.04 -0.03 -0.02 0.02 -0.02 0.04 -0.10 -0.04 -0.02 0.04 -0.02 0.02 0.04 -0.03 -0.03 0.01 -0.04 0.03 0.03 -0.00 -0.03 -0.01 0.01 -0.00 0.04 0.02 -0.00 -0.01 0.01 -0.02 0.04 0.02 -0.10 -0.08 -0.01 0.09 0.04 0.03 -0.10 -0.09 -0.01 0.09 -0.02 0.01 -0.02 0.00 0.00 -0.06 0.08 -0.05 -0.03 0.01 -0.02 0.04 -0.08 -0.03 -0.01 -0.15 -0.10 -0.09 -0.18 0.02 0.03 0.04 -0.02 -0.03 0.10 -0.02 0.02 0.02 -0.03 0.06 0.05 -0.05 -0.04 -0.03 0.03 0.03 -0.01 0.04 -0.02 0.03 -0.02 -0.06 -0.01 0.01 -0.08 -0.00 0.01 -0.07 -0.04 -0.05 0.01 -0.03 -0.00 -0.03 -0.05 -0.03 -0.01 -0.06 -0.04 -0.00 0.13 -0.06 -0.06 0.04 -0.05 0.02 0.09 -0.01 -0.08 0.08 -0.03 0.02 0.01 0.28 -0.01 -0.08 -0.05 -0.15 -0.04 0.06 0.04 -0.07 0.08 0.03 -0.04 0.09 -0.08 0.15 -0.02 0.09 -0.18 0.09 0.07 -0.05 0.04 0.02 -0.04 0.11 -0.10 -0.04 0.01 0.02 0.02 -0.00 -0.00 -0.04 -0.02 -0.00 0.00 -0.05 0.04 0.06 -0.04 0.01 0.02 -0.05 0.03 0.05 -0.03 -0.00 0.06 -0.03 0.03 0.04 -0.03 0.04 0.01 -0.03 0.11 -0.15 0.14 0.04 0.01 0.08 -0.11 0.16 -0.07 0.03 0.20 0.04 0.25 0.25 -0.11 0.04 -0.25 -0.02 0.07 -0.16 0.13 0.07 -0.26 0.18 0.09 -0.06 0.05 0.02 0.14 -0.08 -0.17 -0.05 -0.10 0.10 -0.05 -0.01 0.10 0.03 -0.04 0.14 0.01 -0.03 0.14 -0.08 -0.08 0.02 -0.03 0.00 -0.04 -0.05 -0.04 -0.01 -0.07 -0.06 0.00 0.08 -0.02 -0.11 0.05 -0.00 -0.11 -0.11 -0.03 0.16 -0.09 -0.03 0.18 0.09 0.14 0.05 0.04 0.06 0.05 0.03 0.02 -0.00 0.01 0.01 0.01 0.02 0.01 0.03 0.01 0.07 -0.01 0.13 0.01 -0.01 -0.03 0.02 0.00 0.05 0.07 0.05 -0.04 0.01 0.02 0.03 0.02 -0.03 -0.04 -0.02 0.00 0.04 -0.01 -0.07 0.02 -0.01 -0.04 0.02 -0.01 -0.04 -0.04 -0.01 0.04 -0.03 -0.02 0.05 0.00 -0.00 -0.00 0.15 0.04 -0.23 0.02 -0.00 0.00 0.01 0.01 0.04 -0.08 0.08 0.01 0.04 0.14 -0.05 0.04 0.02 -0.01 0.22 0.14 0.07 0.02 -0.01 -0.02 0.25 -0.11 -0.07 -0.05 0.03 0.01 0.06 -0.02 -0.11 -0.07 -0.02 0.04 0.38 -0.02 -0.19 0.11 0.09 -0.35 0.11 0.09 -0.35 -0.06 -0.03 0.03 -0.05 -0.05 0.01 0.01 0.02 -0.06 -0.06 -0.04 0.01 -0.09 -0.03 0.08 -0.13 -0.03 0.07 0.01 0.03 -0.10 0.03 0.01 -0.08 0.08 0.18 0.09 0.09 0.09 0.05 0.05 -0.01 -0.03 0.04 -0.03 -0.02 0.03 -0.02 0.01 0.08 0.05 -0.04 0.19 -0.04 -0.05 0.05 -0.06 -0.02 0.07 0.08 0.05 0.03 -0.06 -0.00 0.00 0.02 0.01 -0.01 -0.04 -0.01 -0.01 -0.02 -0.01 -0.03 -0.02 -0.01 -0.04 -0.01 -0.01 -0.01 0.01 -0.05 0.00 0.00 -0.05 -0.01 0.01 -0.04 -0.10 0.00 0.10 0.04 -0.04 -0.02 0.03 -0.02 0.00 -0.10 0.06 -0.03 0.18 0.25 -0.04 0.21 -0.10 -0.04 0.33 0.17 0.10 -0.02 -0.07 -0.08 0.39 -0.22 -0.18 0.07 -0.09 -0.03 0.06 -0.03 -0.09 -0.11 -0.03 0.09 -0.23 0.04 0.08 -0.06 -0.03 0.18 -0.08 -0.02 0.17 -0.05 0.01 -0.04 -0.02 -0.03 0.04 0.03 0.03 -0.02 0.05 0.05 -0.02 -0.00 0.01 -0.03 -0.00 0.01 -0.03 -0.02 0.00 0.01 -0.02 0.00 0.01 0.00 -0.04 0.07 0.03 -0.03 0.06 -0.00 0.01 0.02 0.01 -0.00 0.02 -0.00 0.00 0.04 0.15 0.04 0.04 -0.11 -0.01 -0.03 0.01 -0.04 -0.04 0.01 -0.03 0.06 0.02 -0.03 -0.06 -0.02 -0.01 0.04 0.02 -0.01 -0.02 -0.00 0.00 0.00 -0.01 0.00 -0.01 -0.00 0.01 -0.01 -0.01 0.01 0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.01 -0.02 0.02 0.02 0.02 -0.02 0.02 0.06 -0.20 0.02 -0.01 0.36 0.44 0.12 0.44 -0.30 0.03 -0.23 -0.18 -0.19 0.06 -0.04 0.00 -0.27 0.16 0.04 0.01 -0.07 -0.05 -0.05 -0.00 0.05 -0.03 -0.00 0.04 0.02 0.00 -0.02 -0.01 0.01 -0.03 -0.00 0.01 -0.03 0.03 -0.06 -0.06 0.11 0.15 -0.12 -0.13 -0.13 0.16 0.03 0.04 -0.01 -0.08 -0.01 0.08 -0.10 -0.02 0.07 -0.04 0.01 0.02 -0.03 -0.01 0.03 0.11 0.05 0.06 0.11 0.01 0.06 0.04 -0.07 -0.01 0.05 -0.07 0.00 0.05 -0.07 0.02 0.08 -0.08 -0.00 -0.13 -0.08 -0.06 -0.08 0.09 0.02 0.09 -0.01 0.05 -0.14 0.18 0.03 0.04 0.02 -0.02 -0.06 0.09 0.02 0.05 0.00 -0.09 0.02 -0.00 -0.06 0.02 0.01 -0.06 0.02 0.02 -0.07 0.02 0.01 -0.07 0.03 0.02 -0.08 -0.04 0.01 0.02 0.07 -0.08 -0.00 0.06 -0.04 0.04 0.26 -0.08 0.01 0.01 -0.23 0.06 0.01 0.04 -0.06 -0.29 -0.31 -0.22 0.05 -0.10 -0.02 -0.34 0.15 0.02 -0.16 0.15 0.05 0.03 0.01 -0.05 -0.04 0.02 0.01 -0.13 0.03 0.01 -0.01 -0.01 0.08 -0.03 -0.01 0.07 0.13 0.11 -0.07 -0.01 -0.02 0.06 -0.05 -0.08 0.11 0.07 0.06 -0.01 0.05 -0.01 -0.09 0.03 0.00 -0.10 0.01 0.02 -0.06 0.03 0.00 -0.05 -0.02 0.12 0.08 0.02 0.08 0.02 -0.03 -0.08 -0.04 -0.05 -0.07 -0.02 -0.06 -0.09 -0.04 0.06 -0.06 -0.03 0.00 -0.11 -0.08 -0.05 -0.03 0.01 -0.03 0.03 0.01 -0.06 0.01 -0.02 -0.03 0.02 0.08 -0.03 -0.00 0.01 -0.07 -0.03 0.09 -0.05 -0.02 0.06 -0.05 -0.02 0.06 -0.06 -0.01 0.07 -0.05 -0.02 0.07 -0.06 -0.02 0.09 0.02 0.01 -0.03 -0.07 -0.07 -0.02 -0.06 -0.10 -0.05 0.09 -0.06 -0.02 0.08 -0.04 0.04 0.10 -0.07 -0.09 0.17 0.11 0.24 -0.40 -0.16 -0.14 0.29 -0.30 -0.37 -0.05 -0.01 0.01 0.03 -0.01 0.03 -0.08 0.00 0.11 0.13 -0.02 -0.01 -0.00 0.04 -0.09 -0.01 0.04 -0.09 0.08 0.09 -0.05 -0.07 -0.08 0.09 -0.04 -0.06 0.06 0.03 0.02 -0.00 0.01 -0.05 0.09 0.01 -0.02 0.10 -0.03 -0.04 0.10 -0.02 -0.02 0.11 -0.02 0.03 -0.07 -0.12 0.05 0.00 -0.06 0.00 0.01 -0.06 0.00 0.01 -0.05 -0.00 0.01 -0.06 0.05 -0.00 0.02 0.00 0.01 -0.05 -0.02 -0.00 -0.05 0.02 -0.02 -0.04 -0.04 -0.03 0.00 0.02 -0.06 -0.03 -0.04 0.01 0.06 0.02 -0.11 0.08 0.01 -0.09 0.08 0.00 -0.09 0.09 -0.00 -0.11 0.10 0.02 -0.10 0.12 0.01 -0.13 0.01 -0.02 0.05 -0.05 0.00 0.01 -0.05 -0.01 0.01 -0.47 0.04 -0.04 0.12 0.43 -0.06 0.16 -0.27 0.08 0.12 0.13 0.14 -0.12 -0.00 -0.01 0.16 -0.13 -0.07 -0.05 -0.03 -0.01 -0.00 0.02 -0.06 -0.00 0.02 -0.06 -0.16 0.03 0.02 0.04 -0.05 0.14 0.04 -0.05 0.14 -0.04 -0.01 -0.02 -0.01 -0.02 0.02 0.03 0.02 -0.02 0.03 0.03 -0.02 -0.00 -0.00 0.01 0.00 0.00 0.01 -0.01 -0.01 0.02 -0.01 -0.00 0.02 -0.00 -0.02 0.02 -0.02 -0.02 0.02 0.00 0.01 0.02 -0.00 0.01 0.04 0.00 0.01 0.03 0.07 0.03 0.04 -0.06 -0.01 -0.02 -0.01 -0.01 -0.00 -0.01 -0.01 0.02 0.01 -0.02 -0.04 -0.01 -0.01 0.01 0.02 -0.00 -0.02 0.01 0.00 -0.02 0.01 0.00 -0.02 0.01 0.00 -0.02 0.02 0.00 -0.02 0.02 0.00 -0.02 0.02 0.00 -0.03 -0.00 -0.00 0.01 0.00 0.02 0.04 0.00 0.03 0.03 0.49 0.07 0.11 -0.10 -0.32 0.11 -0.12 0.35 -0.11 0.06 0.13 0.28 -0.43 -0.05 -0.08 0.17 -0.13 -0.30 -0.03 -0.01 -0.00 -0.03 -0.00 0.01 -0.01 -0.01 0.01 -0.03 0.01 0.00 0.00 -0.01 0.02 0.00 -0.01 0.02 0.06 0.06 0.02 -0.08 -0.09 0.08 -0.00 -0.02 -0.01 -0.03 -0.06 0.02 -0.02 0.02 -0.02 -0.03 0.00 -0.03 -0.04 -0.00 0.04 -0.03 -0.01 0.04 -0.00 -0.01 0.13 0.22 -0.05 -0.05 -0.00 0.04 -0.04 -0.09 0.09 -0.06 -0.07 0.01 -0.11 0.04 -0.04 -0.01 0.02 0.07 0.02 -0.03 0.05 -0.01 0.04 -0.02 -0.01 0.01 -0.06 0.01 -0.03 -0.01 0.10 -0.02 -0.07 0.02 0.00 -0.01 0.01 0.01 0.00 -0.04 0.01 0.01 -0.04 0.02 0.02 -0.05 0.02 0.00 -0.06 0.03 0.02 -0.08 -0.02 0.01 -0.00 -0.15 0.14 -0.05 -0.13 -0.03 -0.13 0.39 -0.05 -0.01 -0.11 -0.36 0.07 -0.13 0.20 -0.08 -0.08 -0.05 -0.22 0.32 0.11 0.07 -0.16 0.17 0.25 0.01 0.09 -0.01 -0.05 -0.01 0.10 -0.07 -0.00 0.11 -0.10 0.03 -0.01 -0.01 -0.01 0.04 -0.01 -0.01 0.04 -0.01 0.03 -0.05 -0.08 -0.08 0.06 -0.04 -0.06 0.02 0.02 0.01 -0.02 0.00 -0.01 0.01 0.00 -0.01 0.02 0.02 0.01 -0.03 0.02 0.00 -0.03 0.03 0.02 -0.07 -0.06 0.04 0.03 0.06 0.01 0.03 0.03 0.00 0.05 0.05 -0.01 0.05 0.04 0.10 0.02 0.07 -0.01 -0.01 -0.03 -0.00 -0.01 0.01 0.01 0.01 -0.02 -0.03 -0.04 0.04 0.03 -0.07 -0.03 -0.04 -0.01 0.01 0.00 -0.02 -0.01 -0.01 0.02 -0.01 -0.01 0.02 -0.02 -0.01 0.04 -0.02 -0.01 0.04 -0.03 -0.01 0.06 0.01 0.00 -0.00 0.06 0.01 0.05 0.06 -0.00 0.05 0.32 0.16 0.12 -0.10 -0.16 -0.02 -0.14 0.38 -0.08 -0.08 -0.20 -0.35 0.45 -0.02 0.07 -0.19 0.18 0.24 -0.07 -0.00 0.00 0.06 0.03 -0.05 0.05 0.04 -0.08 0.07 -0.01 0.01 0.00 0.01 -0.03 -0.00 0.02 -0.04 -0.01 -0.01 0.04 0.06 0.03 -0.02 0.09 0.10 -0.07 0.03 -0.00 -0.00 0.03 -0.07 -0.00 0.05 -0.04 0.01 -0.06 0.00 0.00 0.00 -0.02 0.04 -0.07 0.07 0.03 -0.11 0.10 0.05 0.01 -0.06 -0.01 -0.06 -0.00 -0.01 -0.08 -0.13 -0.02 0.03 -0.03 -0.02 0.04 -0.11 -0.08 -0.02 0.04 0.04 -0.09 -0.00 0.01 0.03 -0.00 0.01 -0.03 0.14 0.07 0.06 0.02 -0.01 -0.04 -0.02 0.01 -0.00 -0.02 -0.02 0.00 -0.04 -0.02 0.02 -0.02 -0.05 0.03 -0.01 -0.04 0.05 -0.01 -0.06 0.02 0.05 0.03 -0.10 0.00 -0.00 -0.11 -0.18 -0.05 0.18 -0.01 0.02 -0.03 -0.15 0.00 -0.04 0.09 -0.08 -0.08 -0.26 -0.40 0.36 -0.16 -0.01 -0.17 0.06 0.11 -0.02 0.06 0.04 0.06 0.19 0.24 -0.05 0.29 -0.04 -0.05 0.08 0.02 0.09 0.05 0.09 -0.02 0.09 0.07 0.00 0.00 -0.01 -0.01 -0.00 0.00 -0.01 -0.02 0.01 -0.00 -0.00 0.00 -0.08 0.06 -0.04 0.07 -0.01 0.05 -0.01 -0.08 -0.03 -0.03 -0.08 -0.03 0.01 -0.01 -0.00 0.02 -0.02 -0.01 -0.00 0.01 0.00 0.01 0.00 0.00 0.01 0.02 0.00 -0.01 0.01 0.00 -0.01 0.02 0.01 0.00 -0.00 -0.01 0.02 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.02 -0.01 -0.00 -0.02 -0.00 -0.03 -0.06 -0.02 -0.01 -0.07 -0.01 -0.02 -0.04 -0.00 0.07 0.31 0.09 0.01 0.00 0.00 0.02 0.03 0.01 -0.04 0.00 -0.00 0.01 0.03 -0.00 0.01 -0.02 0.02 0.01 0.05 0.08 -0.07 0.03 0.00 0.03 -0.01 -0.02 0.00 -0.01 -0.01 0.02 0.02 0.04 0.01 0.05 -0.03 0.09 0.26 0.08 0.40 0.42 0.15 -0.18 0.56 0.14 -0.00 0.00 -0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.10 0.01 -0.05 -0.08 -0.06 -0.06 0.00 -0.00 -0.01 0.19 -0.00 0.10 0.02 -0.04 -0.02 0.02 -0.04 -0.01 -0.00 0.02 0.01 0.01 0.01 0.01 0.01 0.02 0.01 -0.03 0.03 0.01 -0.03 0.04 0.03 -0.00 0.00 -0.00 0.02 -0.02 -0.01 -0.00 0.00 -0.00 0.10 0.23 0.05 -0.01 -0.00 -0.00 0.02 -0.04 -0.01 -0.03 -0.06 -0.03 0.00 -0.04 -0.01 -0.00 -0.00 0.01 -0.01 -0.03 0.00 -0.03 -0.00 0.00 -0.03 -0.02 -0.02 0.01 0.01 0.01 0.01 0.03 0.02 -0.11 0.02 0.00 -0.00 0.08 -0.02 -0.00 -0.02 0.04 0.00 0.08 0.16 -0.16 0.06 0.00 0.04 -0.01 -0.05 -0.01 -0.00 -0.00 0.19 0.36 0.44 0.12 0.56 -0.22 0.00 0.01 -0.01 -0.06 -0.04 -0.01 -0.01 -0.03 -0.06 0.01 0.00 -0.01 -0.02 -0.01 0.01 -0.02 -0.03 0.02 -0.01 -0.01 0.01 0.11 -0.16 0.08 0.18 -0.06 0.13 -0.26 0.26 -0.14 -0.16 -0.01 -0.13 0.04 -0.05 0.01 0.10 -0.08 -0.02 -0.01 0.04 -0.00 0.02 0.02 -0.01 0.02 0.05 -0.00 -0.01 0.00 0.00 -0.04 0.07 0.04 0.01 0.00 -0.02 0.05 -0.03 0.01 -0.00 0.00 0.00 0.04 0.18 0.01 -0.02 -0.01 0.01 -0.01 -0.00 -0.08 0.00 -0.00 -0.01 0.01 -0.08 -0.02 -0.03 -0.04 0.01 -0.02 0.02 0.03 0.02 -0.03 0.08 0.05 -0.06 0.01 0.03 0.02 -0.01 0.01 0.07 0.02 -0.08 -0.01 -0.03 0.01 0.05 0.00 0.02 -0.06 0.04 0.01 0.13 0.21 -0.21 0.10 0.00 0.06 -0.01 -0.06 0.02 -0.00 -0.02 0.08 0.29 0.32 0.04 0.43 -0.18 0.13 -0.05 0.03 -0.01 -0.08 -0.02 0.08 -0.08 -0.06 0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.22 0.20 -0.12 0.28 0.00 0.17 -0.22 0.16 -0.10 0.26 -0.01 0.17 -0.02 0.03 0.01 -0.02 0.02 0.00 0.00 -0.01 -0.01 0.01 -0.01 -0.01 0.00 0.00 0.00 0.02 -0.01 -0.00 0.03 -0.02 -0.02 0.01 -0.02 -0.01 -0.01 0.03 0.00 -0.00 0.00 0.00 -0.07 -0.19 -0.03 -0.00 0.00 0.00 -0.02 -0.02 0.02 -0.02 -0.04 -0.02 -0.01 -0.04 -0.00 -0.02 -0.04 -0.03 0.01 -0.05 -0.02 0.00 -0.01 -0.03 -0.03 -0.11 -0.03 0.01 -0.02 -0.01 0.01 0.00 -0.00 0.07 -0.01 -0.00 0.01 -0.05 0.02 0.01 0.01 -0.02 0.01 -0.03 -0.09 0.10 -0.03 -0.00 -0.01 0.00 0.03 0.02 -0.02 -0.01 -0.11 -0.28 -0.31 -0.10 -0.41 0.15 -0.04 -0.01 -0.01 -0.15 -0.19 0.01 0.06 -0.19 -0.10 0.01 -0.02 -0.02 -0.01 0.05 -0.05 -0.08 -0.08 0.08 -0.04 0.04 0.01 0.03 0.01 -0.04 0.00 -0.01 -0.07 -0.04 0.02 0.04 -0.06 -0.02 0.02 -0.10 -0.02 0.01 -0.11 0.00 -0.02 0.01 0.04 -0.06 0.13 -0.10 -0.03 0.07 0.11 0.04 0.09 0.00 -0.04 0.08 0.10 0.03 0.15 -0.17 -0.08 -0.05 0.05 -0.01 0.01 -0.00 -0.01 -0.04 0.03 0.13 -0.04 0.02 0.01 -0.09 -0.03 0.17 -0.03 -0.01 0.05 -0.03 -0.02 0.06 0.05 0.01 -0.06 0.05 0.01 -0.07 0.10 0.02 -0.14 -0.00 -0.00 0.03 0.21 -0.15 -0.06 0.16 0.20 0.08 0.26 -0.00 -0.05 0.05 -0.10 0.07 0.07 0.09 -0.12 0.08 0.11 -0.04 0.22 0.19 0.04 0.03 0.05 0.20 0.22 -0.26 -0.11 0.02 0.06 0.23 0.03 0.11 0.04 -0.18 0.05 -0.00 0.04 -0.04 0.12 0.02 -0.03 0.12 0.01 0.02 -0.01 0.00 -0.01 0.02 0.00 0.00 0.01 -0.06 -0.07 0.04 0.04 -0.13 0.03 0.07 0.06 0.09 0.06 -0.11 -0.01 0.10 0.06 0.04 0.01 -0.02 0.05 -0.11 -0.01 0.13 -0.02 0.06 -0.16 0.04 -0.00 -0.11 0.00 0.04 0.04 0.10 -0.16 -0.12 0.00 0.16 -0.03 0.01 0.04 -0.06 -0.01 -0.03 0.11 0.00 -0.00 0.00 -0.06 0.03 -0.03 -0.00 -0.02 0.03 -0.00 0.04 -0.12 -0.02 0.00 -0.06 -0.01 0.04 -0.05 -0.07 -0.00 0.01 -0.06 0.02 0.02 -0.11 0.01 0.05 -0.07 0.04 -0.05 0.17 -0.13 -0.15 -0.04 0.16 0.14 0.26 -0.26 -0.27 0.09 -0.25 0.12 0.13 -0.20 -0.12 0.01 0.16 0.05 0.00 0.29 -0.05 0.00 0.10 0.06 0.02 0.08 -0.06 -0.11 0.05 -0.01 -0.11 0.05 -0.03 0.03 0.01 -0.04 -0.09 0.06 -0.10 -0.09 0.06 -0.10 0.00 0.03 -0.01 0.01 -0.04 0.06 0.04 0.04 -0.02 -0.04 -0.10 0.04 -0.08 0.22 -0.01 -0.15 -0.12 -0.11 -0.04 0.15 -0.00 -0.10 -0.10 -0.08 0.05 0.01 -0.02 -0.19 0.03 0.13 0.01 0.03 -0.13 0.01 0.03 -0.06 0.01 -0.02 0.05 0.05 -0.15 -0.11 -0.03 0.10 -0.04 -0.08 0.14 -0.01 -0.01 -0.03 0.07 -0.01 0.01 -0.00 0.08 -0.03 -0.01 0.02 -0.03 0.02 0.09 -0.03 0.02 0.08 0.01 0.04 0.06 -0.06 0.01 0.08 -0.02 0.05 0.07 -0.05 0.04 0.12 -0.05 0.08 0.15 -0.07 0.08 0.12 -0.10 -0.10 -0.04 0.07 0.13 0.08 -0.24 -0.24 0.06 -0.17 0.03 0.08 -0.23 -0.04 -0.04 0.07 0.06 -0.09 0.19 -0.07 -0.03 0.10 -0.03 -0.14 0.23 0.03 0.10 -0.05 -0.04 0.09 -0.07 0.02 0.18 -0.07 0.09 0.15 -0.06 0.07 0.15 -0.06 0.07 0.03 -0.07 0.27 -0.27 -0.04 -0.06 -0.11 -0.17 -0.19 0.33 0.30 -0.26 -0.00 0.01 0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.03 0.00 0.03 -0.00 0.04 -0.09 0.00 -0.01 0.03 0.02 0.04 0.02 0.00 -0.16 -0.07 0.02 0.08 -0.06 -0.02 0.08 0.15 -0.00 0.00 0.02 0.03 0.01 0.09 -0.00 0.00 0.00 -0.04 0.00 -0.14 0.01 0.00 -0.01 0.01 0.00 -0.01 0.01 -0.00 -0.01 0.00 -0.00 0.01 0.00 -0.00 0.01 -0.00 -0.00 0.01 0.01 -0.00 0.00 0.02 -0.15 0.00 0.06 0.15 0.08 -0.03 -0.27 -0.24 0.02 -0.15 0.03 0.04 -0.29 0.06 0.03 0.09 -0.06 0.03 0.09 -0.06 0.03 0.05 -0.03 -0.02 0.17 0.16 -0.01 0.00 0.01 -0.01 0.01 0.00 0.02 -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 0.03 -0.01 0.05 0.02 0.05 -0.07 -0.02 -0.02 0.03 0.00 0.07 -0.00 -0.03 0.05 0.03 -0.05 -0.04 0.01 0.01 0.01 -0.01 0.01 -0.01 -0.02 -0.01 0.01 0.05 -0.03 0.01 0.03 -0.08 -0.05 -0.03 -0.07 -0.03 -0.10 -0.11 -0.09 -0.07 0.05 0.15 -0.04 -0.02 0.04 0.13 0.09 -0.14 -0.07 -0.04 -0.04 0.02 0.01 -0.04 0.01 -0.03 -0.00 -0.00 -0.01 0.02 -0.00 0.07 0.02 -0.12 0.06 0.03 -0.06 0.06 -0.01 -0.08 0.00 -0.02 0.04 0.00 -0.01 0.04 -0.03 -0.03 0.13 0.06 -0.02 0.02 -0.12 0.03 -0.08 -0.20 -0.15 -0.09 0.18 0.27 0.16 0.04 0.13 -0.02 0.06 0.30 -0.28 -0.02 0.04 0.18 0.06 0.22 0.11 -0.05 -0.04 0.31 0.22 -0.17 -0.10 -0.08 -0.01 -0.03 -0.08 -0.02 0.03 0.20 -0.06 0.04 0.03 0.01 -0.06 0.04 0.01 -0.06 0.00 0.01 0.02 -0.01 -0.02 0.03 0.01 0.01 -0.04 0.03 -0.03 -0.01 0.02 -0.03 -0.02 0.04 0.04 -0.00 -0.01 0.00 0.01 -0.01 -0.01 0.01 0.06 0.03 -0.02 -0.01 0.01 0.04 0.08 -0.08 -0.06 0.03 -0.05 -0.05 0.02 -0.15 -0.02 0.01 0.11 -0.11 -0.09 0.06 0.15 -0.05 0.08 0.01 0.03 -0.07 0.00 -0.02 0.02 0.01 0.05 -0.02 -0.02 0.00 -0.01 -0.00 -0.04 -0.02 0.10 -0.05 -0.03 0.06 -0.05 0.01 0.07 -0.01 0.02 -0.02 -0.00 -0.00 -0.03 0.02 0.03 -0.11 -0.06 0.02 -0.02 0.07 -0.08 -0.06 -0.02 -0.16 -0.01 -0.07 0.22 0.07 0.03 0.18 -0.29 0.00 0.17 -0.19 -0.14 -0.07 0.44 -0.22 0.34 0.08 -0.11 0.07 0.20 -0.08 0.17 0.04 0.09 -0.04 -0.06 0.06 -0.07 0.01 -0.17 0.05 -0.04 -0.03 -0.01 0.04 -0.04 -0.01 0.04 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.08 -0.02 0.13 0.08 0.02 -0.12 0.08 0.02 -0.13 -0.08 -0.02 0.13 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.25 0.07 -0.40 -0.25 -0.06 0.39 -0.26 -0.06 0.40 0.25 0.07 -0.40 -0.00 -0.00 0.01 0.00 -0.01 -0.00 -0.01 0.01 -0.00 -0.01 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 0.01 0.00 -0.01 0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.01 0.01 0.00 0.01 -0.01 0.01 0.00 0.00 0.01 0.00 0.00 -0.00 0.01 -0.01 0.03 -0.00 0.05 -0.08 0.02 -0.05 -0.02 -0.10 0.03 -0.06 0.03 0.05 0.01 -0.01 -0.01 0.01 0.03 -0.00 -0.00 0.02 0.00 -0.00 -0.02 -0.00 0.06 -0.01 -0.02 -0.08 -0.01 0.08 0.10 0.03 0.09 -0.00 0.20 -0.14 -0.03 -0.04 -0.03 -0.03 -0.00 0.09 -0.04 -0.06 -0.08 0.12 0.06 -0.19 0.03 -0.03 0.05 0.08 -0.03 -0.01 0.06 -0.01 -0.03 0.01 -0.01 0.02 0.01 -0.01 0.04 -0.02 -0.02 0.04 -0.02 0.01 0.04 -0.00 0.02 -0.00 -0.00 -0.02 -0.01 0.00 0.01 -0.05 -0.03 0.01 -0.02 -0.02 0.41 -0.11 -0.25 -0.26 -0.11 -0.08 -0.02 0.05 -0.04 -0.02 -0.00 -0.08 -0.01 0.19 -0.10 -0.15 -0.04 -0.19 -0.22 -0.07 -0.05 0.11 -0.33 0.28 0.04 -0.22 0.07 -0.01 -0.03 0.07 -0.02 -0.03 -0.09 0.02 -0.02 -0.02 -0.00 0.02 -0.02 -0.00 0.02 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.23 0.18 0.17 -0.11 0.32 -0.02 -0.23 -0.18 -0.18 0.11 -0.32 0.02 -0.00 0.01 0.00 0.01 -0.00 -0.01 -0.01 0.00 -0.01 -0.00 -0.01 0.01 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.09 0.03 -0.00 0.00 -0.00 0.03 0.12 0.04 0.21 0.11 0.15 -0.13 0.25 -0.04 -0.21 -0.11 -0.15 0.13 -0.24 0.04 -0.03 -0.12 -0.04 -0.02 -0.11 -0.03 -0.00 -0.03 0.01 0.02 0.03 0.01 0.01 -0.01 -0.01 0.00 -0.01 0.01 0.00 -0.01 -0.01 0.01 0.02 -0.01 0.02 0.01 0.00 0.01 -0.01 0.02 -0.02 -0.01 0.01 0.03 0.14 0.16 0.05 0.20 -0.06 -0.03 -0.12 -0.04 -0.08 -0.12 -0.05 0.02 -0.15 -0.03 -0.00 -0.01 -0.01 -0.06 0.01 0.08 -0.04 -0.05 -0.06 0.03 -0.09 0.00 0.02 0.08 0.04 -0.02 -0.08 -0.01 -0.05 -0.12 -0.05 0.02 0.13 0.03 -0.11 0.01 0.07 0.01 0.02 -0.06 0.23 -0.03 0.04 0.15 0.02 -0.03 0.09 -0.05 -0.00 -0.02 0.02 -0.02 -0.04 -0.03 0.02 0.07 0.08 -0.06 -0.04 0.01 -0.04 -0.00 0.11 0.03 -0.18 0.03 0.07 -0.00 0.02 0.02 -0.09 0.04 -0.06 0.02 0.09 -0.03 -0.01 -0.06 -0.08 -0.03 -0.09 -0.04 0.02 0.10 0.02 0.05 -0.04 0.09 0.11 -0.05 0.06 0.18 0.07 -0.03 0.13 -0.13 -0.08 -0.20 0.05 0.02 -0.03 0.05 -0.30 -0.11 0.02 0.14 -0.14 -0.23 0.20 -0.23 -0.00 -0.02 -0.09 0.16 -0.17 0.09 0.07 -0.06 -0.21 0.03 0.07 -0.22 0.04 0.07 0.18 -0.07 0.07 0.10 -0.03 0.02 0.10 -0.03 0.02 0.00 0.01 0.02 0.02 -0.02 -0.11 0.05 0.01 0.09 -0.06 0.11 0.02 0.06 0.11 0.01 0.01 -0.11 -0.05 -0.07 -0.18 -0.07 0.01 0.21 0.04 0.11 0.00 -0.08 0.11 -0.05 0.08 -0.13 0.02 -0.03 -0.10 0.01 0.00 -0.06 0.00 0.03 0.01 -0.01 0.00 0.00 0.03 -0.00 -0.06 -0.01 0.03 0.06 -0.05 0.09 0.05 -0.14 -0.04 -0.01 0.06 -0.23 0.02 -0.04 -0.02 -0.15 0.04 -0.01 -0.10 0.10 0.17 -0.15 -0.12 0.10 -0.06 -0.13 -0.05 0.00 0.15 0.04 0.19 -0.01 -0.10 0.12 -0.05 0.08 -0.08 -0.03 -0.00 -0.13 0.05 0.09 0.12 -0.03 -0.02 0.03 -0.03 0.17 0.07 -0.02 -0.10 0.06 0.13 -0.07 0.08 0.03 0.01 0.04 -0.07 0.08 -0.11 0.07 0.05 0.00 0.07 -0.22 -0.02 0.04 -0.22 -0.10 0.01 0.05 0.16 -0.10 0.20 0.15 -0.09 0.20 -0.04 0.02 -0.03 -0.04 -0.05 -0.18 0.11 -0.06 0.16 -0.15 0.20 0.07 -0.01 -0.01 0.01 -0.01 0.01 0.01 0.01 0.02 0.01 -0.00 -0.02 -0.00 -0.05 0.03 0.05 0.00 0.05 -0.04 0.20 0.01 -0.03 0.02 0.00 0.14 0.06 -0.08 -0.01 -0.02 -0.04 -0.10 -0.02 0.07 0.00 -0.06 0.05 0.13 -0.04 -0.03 -0.06 0.18 -0.21 -0.08 -0.04 -0.02 0.09 0.06 -0.08 -0.04 0.02 -0.00 -0.01 0.04 -0.00 -0.06 0.04 0.02 -0.05 0.01 0.01 0.00 0.00 -0.01 -0.01 -0.04 -0.01 0.05 -0.01 0.00 -0.01 0.00 -0.08 0.13 0.16 -0.02 -0.00 -0.20 -0.06 -0.15 -0.05 -0.04 -0.34 -0.13 -0.06 0.14 -0.11 -0.10 0.18 -0.14 0.17 -0.04 -0.08 0.19 -0.07 -0.26 0.16 0.20 -0.05 -0.03 0.05 -0.06 -0.03 0.11 0.07 -0.02 0.00 -0.02 0.02 -0.05 -0.02 0.02 -0.05 -0.00 0.02 0.01 -0.08 0.02 -0.05 0.07 -0.07 -0.03 -0.01 0.02 0.09 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.01 0.01 0.00 -0.01 0.00 -0.04 -0.02 -0.01 0.00 -0.03 -0.05 -0.15 -0.09 0.00 0.08 -0.07 -0.14 0.06 0.09 0.06 0.01 0.03 0.03 -0.01 -0.15 0.07 -0.06 0.18 -0.06 0.01 0.10 0.00 0.05 -0.04 -0.02 -0.02 -0.00 0.02 0.05 -0.02 0.03 -0.01 -0.00 0.01 0.01 -0.00 -0.02 0.01 0.01 -0.02 0.01 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.02 0.00 -0.00 0.00 0.24 -0.14 -0.17 0.11 0.09 0.04 0.12 0.13 0.19 0.08 0.13 0.18 0.16 0.05 -0.26 0.06 -0.03 -0.01 0.07 -0.14 0.09 0.04 -0.26 0.16 -0.21 0.51 0.05 -0.02 0.01 0.06 0.00 0.03 -0.01 0.03 -0.01 0.01 -0.00 0.01 -0.02 -0.00 0.00 -0.02 -0.06 0.02 -0.19 -0.24 0.27 -0.05 0.09 -0.23 -0.26 0.17 -0.04 0.35 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.01 0.01 0.00 0.00 -0.01 -0.00 0.04 0.02 0.00 0.03 0.02 0.04 -0.04 0.04 -0.04 -0.10 0.00 0.14 -0.09 -0.08 -0.05 -0.01 -0.02 -0.04 0.00 0.09 -0.02 0.09 -0.11 0.18 -0.02 -0.09 0.01 0.06 0.05 0.10 0.02 0.01 -0.05 0.13 0.05 0.19 0.01 0.00 -0.02 -0.02 -0.01 0.03 -0.02 -0.00 0.03 -0.00 0.00 0.01 -0.01 -0.01 0.01 0.02 0.00 -0.03 0.00 -0.00 0.00 -0.29 -0.06 0.16 -0.10 -0.02 -0.00 -0.01 -0.07 -0.12 -0.02 -0.06 -0.01 -0.03 -0.05 0.03 0.03 0.12 -0.03 0.05 0.12 -0.02 0.01 0.03 0.05 0.17 -0.31 0.12 0.02 -0.00 -0.09 0.00 -0.02 -0.02 -0.05 0.01 -0.01 0.01 -0.01 0.03 0.01 -0.01 0.03 0.00 -0.00 0.01 0.00 -0.01 0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.01 -0.15 -0.18 -0.14 -0.05 0.27 0.00 0.06 0.06 0.04 0.02 -0.09 -0.00 -0.03 0.01 -0.01 0.07 -0.02 0.01 0.03 0.00 0.00 0.02 -0.00 -0.00 -0.00 -0.01 0.02 0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.00 0.01 -0.01 -0.02 -0.01 0.02 0.00 0.00 -0.00 -0.14 0.07 -0.11 -0.00 0.00 -0.00 -0.08 0.04 -0.08 -0.13 -0.08 -0.03 -0.08 0.13 0.04 0.02 0.02 0.03 0.00 -0.04 0.01 0.18 -0.05 0.03 0.31 -0.13 0.18 0.05 -0.01 -0.01 0.00 -0.01 0.02 -0.01 -0.00 -0.01 -0.00 -0.01 -0.02 -0.01 -0.00 0.01 -0.02 -0.02 0.03 -0.03 0.01 -0.01 -0.01 0.03 -0.02 0.00 0.00 -0.01 -0.18 0.08 -0.10 -0.19 0.07 -0.10 0.24 -0.11 0.17 0.32 -0.14 0.21 0.32 -0.14 0.21 -0.00 0.00 -0.01 0.00 0.01 -0.01 0.00 0.00 -0.01 0.01 0.00 0.01 -0.09 -0.09 -0.05 -0.04 0.13 0.02 -0.14 -0.13 -0.08 -0.06 0.20 0.02 0.09 -0.02 -0.02 -0.09 0.02 0.01 -0.05 0.00 -0.00 -0.04 0.02 0.01 0.01 0.01 -0.04 -0.01 0.00 0.01 0.00 0.00 -0.00 -0.01 -0.02 0.02 0.06 -0.01 -0.02 -0.01 -0.01 0.01 0.23 -0.10 0.15 -0.00 -0.00 0.01 0.03 -0.08 0.23 0.03 -0.05 -0.12 0.06 0.09 -0.07 0.01 -0.05 -0.16 0.05 0.11 -0.11 -0.06 -0.04 0.19 0.10 -0.05 0.08 -0.10 0.05 0.02 -0.03 0.01 -0.02 0.01 -0.00 0.01 -0.00 0.01 0.05 0.01 -0.00 -0.01 0.03 0.05 -0.04 0.04 -0.01 0.00 0.02 -0.04 0.03 0.01 -0.04 0.01 0.35 -0.12 0.14 0.35 -0.12 0.12 0.40 -0.13 0.12 0.06 0.03 -0.09 0.06 0.01 -0.10 0.02 -0.03 -0.01 -0.11 -0.24 -0.12 0.29 0.01 0.03 -0.10 0.13 0.05 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.02 -0.01 -0.00 0.01 -0.00 0.01 0.01 0.00 -0.00 -0.01 0.01 0.02 -0.02 -0.01 0.00 0.01 0.00 -0.33 0.44 0.17 -0.00 -0.00 -0.00 0.09 -0.12 -0.05 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.02 -0.00 0.01 0.02 -0.00 0.01 0.01 0.00 0.00 -0.00 0.01 0.01 0.02 -0.02 0.01 0.00 -0.00 0.01 -0.01 0.01 0.00 -0.02 0.02 0.39 -0.50 -0.19 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.03 0.00 0.05 0.01 0.01 -0.06 0.00 0.03 -0.05 0.06 0.01 0.09 0.02 0.02 0.03 0.01 -0.04 0.01 0.03 0.04 0.06 0.01 -0.07 0.02 -0.03 0.07 -0.11 0.13 -0.01 0.02 0.03 0.07 0.02 0.06 -0.08 -0.01 -0.04 -0.11 0.10 -0.01 0.02 0.11 0.01 0.13 -0.07 -0.12 -0.04 -0.15 -0.05 -0.10 0.01 -0.13 -0.07 -0.05 -0.08 0.05 -0.11 -0.02 -0.04 0.05 -0.18 -0.00 0.15 0.01 0.03 -0.02 -0.00 -0.02 -0.03 0.12 0.05 -0.16 0.11 -0.00 -0.17 -0.14 -0.03 0.19 -0.03 0.01 0.00 0.27 -0.10 -0.05 -0.01 -0.05 0.14 0.01 -0.03 0.02 -0.03 -0.02 0.16 -0.03 0.00 0.17 -0.01 0.10 -0.07 -0.03 0.07 -0.07 0.00 0.19 -0.15 -0.16 -0.03 -0.15 0.01 0.03 -0.15 -0.03 0.01 -0.10 0.32 -0.09 0.06 -0.09 0.09 -0.19 -0.08 0.07 -0.19 -0.05 -0.01 -0.07 -0.05 0.00 0.14 0.03 -0.10 0.10 -0.14 -0.03 -0.19 0.02 0.02 0.02 0.01 -0.03 0.00 0.03 0.03 0.05 0.01 -0.06 0.02 0.01 0.03 -0.06 0.06 -0.01 0.05 -0.16 -0.01 -0.04 0.04 0.05 -0.01 -0.05 -0.07 -0.03 -0.02 -0.01 -0.01 -0.02 -0.03 0.02 0.25 0.10 0.22 -0.02 -0.07 0.04 0.26 0.17 0.06 -0.06 0.04 -0.10 0.06 0.09 -0.12 -0.13 0.00 0.09 -0.00 0.02 0.01 -0.02 -0.02 -0.00 0.09 0.04 -0.13 0.08 -0.00 -0.13 -0.10 -0.02 0.14 -0.02 0.00 0.01 -0.11 -0.08 -0.00 -0.14 -0.11 -0.02 0.07 0.01 0.03 0.03 0.05 0.17 0.10 -0.05 -0.18 0.05 0.09 -0.03 0.04 -0.02 0.03 0.03 -0.15 0.10 0.28 0.12 0.22 -0.01 0.03 -0.11 -0.04 0.02 -0.09 0.24 -0.07 0.04 -0.06 0.06 -0.14 -0.05 0.05 -0.14 -0.00 -0.00 0.01 -0.02 -0.00 0.03 0.03 -0.03 0.02 -0.03 -0.01 -0.03 -0.01 -0.02 -0.01 -0.01 0.01 -0.00 -0.02 -0.02 -0.03 -0.00 0.04 -0.01 -0.01 0.04 0.02 0.01 0.07 -0.04 -0.11 0.09 0.02 0.17 -0.15 -0.04 -0.06 -0.18 -0.02 -0.06 0.04 0.22 0.00 0.17 -0.10 0.02 0.05 -0.01 -0.06 -0.16 -0.09 0.04 0.03 -0.02 0.05 -0.02 0.06 0.02 0.02 -0.02 0.08 0.00 -0.03 0.01 -0.01 -0.02 0.03 0.02 -0.01 -0.06 -0.03 0.08 -0.06 -0.00 0.08 0.06 0.00 -0.09 0.01 -0.00 -0.01 0.27 -0.26 -0.08 -0.01 -0.13 -0.00 0.02 -0.00 0.16 -0.03 0.05 0.42 0.02 -0.02 0.18 0.06 0.28 -0.21 0.03 0.05 -0.07 0.05 0.13 -0.13 -0.11 0.20 0.06 0.04 -0.05 -0.01 0.04 -0.08 0.11 -0.14 0.05 -0.03 0.05 -0.04 0.08 0.02 -0.02 0.08 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.04 -0.01 0.07 0.04 0.01 -0.07 -0.05 -0.01 0.07 0.05 0.01 -0.07 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 0.26 0.07 -0.41 -0.26 -0.06 0.42 0.26 0.06 -0.40 -0.27 -0.07 0.41 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.01 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.01 0.00 -0.03 -0.00 -0.02 0.02 -0.02 0.02 -0.00 0.01 0.00 0.02 -0.00 0.01 -0.02 0.01 0.00 0.00 -0.00 0.01 -0.01 0.02 0.01 0.01 -0.01 0.00 -0.01 -0.01 -0.01 0.05 -0.07 0.02 -0.07 -0.02 -0.05 -0.05 0.06 -0.02 0.07 0.01 0.05 -0.01 -0.01 -0.01 0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.02 0.02 0.01 0.02 0.02 0.01 -0.00 -0.03 -0.00 -0.02 0.01 -0.01 -0.01 -0.02 -0.01 -0.02 -0.01 -0.01 0.01 -0.03 0.01 0.05 0.01 0.01 0.01 -0.01 0.05 0.22 0.07 -0.12 0.14 -0.04 0.16 0.03 0.10 0.11 -0.14 0.05 -0.15 -0.03 -0.11 -0.05 -0.21 -0.06 -0.00 -0.01 -0.00 0.01 0.03 0.02 0.02 0.05 0.04 0.01 -0.00 -0.03 0.00 -0.01 -0.03 0.00 -0.00 -0.03 0.00 -0.01 0.01 0.00 -0.01 0.01 0.00 -0.03 0.02 -0.01 -0.05 -0.04 -0.25 -0.05 -0.35 0.17 -0.33 0.24 0.05 0.16 0.06 0.32 0.03 0.18 -0.26 0.25 -0.10 -0.04 0.02 -0.11 0.06 -0.19 -0.15 -0.18 0.15 -0.02 0.13 0.06 0.10 0.02 -0.01 -0.00 -0.00 -0.01 -0.02 -0.00 0.02 0.01 0.01 -0.01 0.02 0.04 -0.06 0.07 -0.09 -0.01 0.01 0.02 0.01 0.01 0.08 -0.07 -0.16 -0.00 0.01 -0.14 -0.03 0.02 0.13 0.01 0.04 -0.03 0.11 0.06 0.18 0.07 0.06 0.00 0.06 -0.05 0.25 -0.02 0.01 0.00 -0.12 -0.12 0.07 0.04 0.06 -0.09 -0.09 0.02 0.09 -0.04 -0.01 0.11 0.07 -0.01 -0.07 0.03 0.00 -0.11 -0.05 -0.05 0.05 -0.00 -0.01 0.01 -0.09 -0.09 -0.14 -0.08 -0.15 -0.23 -0.04 0.04 0.16 -0.01 0.06 0.13 -0.01 0.01 0.12 0.00 0.03 -0.06 -0.01 -0.01 -0.02 0.01 0.08 -0.09 0.19 0.39 0.24 -0.15 0.02 -0.03 -0.06 -0.03 0.04 0.11 -0.00 0.04 0.04 0.03 -0.01 -0.06 0.06 -0.07 -0.02 0.01 -0.06 0.03 -0.11 -0.08 -0.11 0.08 -0.00 0.06 0.03 0.05 -0.01 -0.01 0.03 -0.02 -0.01 0.03 0.02 0.02 -0.01 0.02 -0.01 -0.02 -0.04 0.06 -0.16 0.10 -0.05 0.06 -0.01 -0.00 -0.01 -0.00 0.07 -0.05 -0.02 -0.02 0.10 0.00 -0.02 -0.03 -0.01 -0.02 0.01 0.11 0.04 0.07 -0.02 -0.01 0.08 0.06 -0.01 0.14 -0.03 0.02 -0.05 -0.06 -0.06 0.04 -0.23 -0.03 0.33 0.17 0.07 -0.29 0.18 0.04 -0.28 -0.12 -0.04 0.21 -0.14 -0.04 0.20 0.09 0.01 -0.14 0.01 0.00 -0.02 0.03 -0.00 -0.07 -0.13 -0.09 0.08 0.05 -0.01 -0.02 0.02 0.00 0.03 0.05 -0.03 -0.09 -0.02 -0.05 0.04 -0.03 -0.01 0.00 -0.02 0.00 -0.00 0.27 0.08 0.05 0.13 -0.01 -0.08 0.13 -0.03 -0.07 -0.22 0.08 -0.05 0.07 -0.05 0.12 0.03 -0.02 0.10 0.00 0.00 0.01 -0.02 0.08 0.06 0.11 -0.06 0.00 -0.05 -0.01 -0.06 0.01 0.00 0.01 -0.01 -0.00 0.00 0.01 0.02 0.01 0.01 -0.01 0.00 0.02 -0.09 -0.01 -0.06 -0.10 0.04 0.15 -0.01 0.03 -0.04 -0.21 -0.13 -0.10 0.02 -0.15 0.00 0.02 0.12 0.04 0.10 -0.06 -0.08 -0.07 0.09 0.14 0.31 0.13 -0.04 -0.02 -0.01 -0.02 0.00 -0.05 0.04 0.04 -0.03 -0.09 0.01 0.08 0.01 0.03 -0.06 0.03 0.01 -0.05 -0.01 -0.01 0.03 -0.04 -0.01 0.01 0.00 -0.02 -0.02 0.01 -0.01 0.00 -0.28 -0.15 -0.08 -0.16 -0.20 -0.29 -0.08 0.02 0.12 -0.03 -0.00 -0.05 -0.10 0.05 0.26 -0.04 -0.04 0.01 -0.04 0.13 -0.08 -0.03 0.26 -0.14 -0.25 0.13 0.17 -0.03 0.03 0.03 0.02 0.04 -0.09 -0.01 0.02 0.00 0.05 -0.01 0.03 -0.02 0.03 -0.00 0.01 -0.00 0.02 -0.00 0.01 -0.00 0.01 -0.00 -0.01 0.00 -0.00 0.02 0.02 0.01 0.02 0.01 -0.03 0.01 0.05 0.04 0.04 0.03 -0.07 0.01 0.23 -0.06 0.12 -0.16 0.09 0.02 -0.12 -0.00 -0.02 0.04 0.04 0.08 0.20 0.04 -0.26 -0.02 0.02 0.05 -0.03 -0.02 0.00 -0.06 -0.01 -0.03 0.17 -0.19 -0.12 -0.04 -0.00 -0.07 -0.14 0.03 0.02 -0.00 -0.00 0.00 -0.22 0.03 0.08 -0.00 0.08 -0.08 -0.03 -0.01 -0.11 -0.04 0.02 0.02 -0.04 -0.01 0.01 0.00 0.00 -0.01 0.04 -0.01 0.02 -0.17 0.24 0.14 0.25 0.21 -0.17 -0.07 0.03 0.08 -0.02 0.04 0.02 -0.03 0.03 0.03 0.10 0.22 -0.14 0.11 -0.06 0.04 0.07 -0.23 0.11 -0.19 -0.02 -0.01 -0.18 0.04 0.01 -0.20 0.03 0.04 0.02 -0.01 0.02 0.04 -0.02 0.03 0.04 -0.01 0.03 -0.01 0.01 -0.02 -0.00 0.03 0.02 0.05 -0.02 -0.00 -0.02 0.00 -0.04 -0.01 -0.01 -0.01 0.00 -0.01 0.00 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.01 0.06 0.02 0.03 0.06 0.07 0.16 0.04 0.01 -0.06 -0.14 -0.15 -0.09 0.31 -0.04 0.03 0.01 0.05 0.01 -0.10 0.07 0.00 -0.04 0.03 -0.10 -0.30 -0.06 -0.03 -0.03 0.08 0.05 0.03 -0.05 0.00 0.01 -0.00 -0.00 0.00 0.03 0.01 -0.01 -0.00 0.01 0.00 -0.00 -0.00 0.01 0.00 0.01 0.00 0.01 0.01 0.02 0.01 -0.00 0.01 -0.00 -0.08 -0.15 -0.15 -0.14 0.47 0.09 -0.11 0.01 0.05 -0.02 -0.04 -0.21 -0.11 0.06 0.25 -0.03 -0.18 0.07 -0.02 -0.17 0.08 -0.01 -0.00 -0.03 -0.08 0.31 0.13 0.02 -0.00 -0.13 0.03 -0.06 0.03 -0.01 -0.02 -0.01 -0.05 0.00 -0.03 0.03 -0.03 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.05 -0.07 -0.04 0.01 -0.10 -0.01 -0.05 -0.08 -0.04 0.01 -0.10 -0.01 -0.01 -0.03 -0.02 -0.00 -0.01 -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 0.00 0.00 0.01 0.03 0.01 0.00 -0.00 -0.00 0.02 0.10 0.04 0.00 -0.00 -0.00 0.03 0.14 0.05 -0.01 0.05 -0.00 0.03 0.03 0.02 -0.02 0.06 -0.00 0.04 0.04 0.03 0.04 0.16 0.05 0.02 0.07 0.02 -0.01 0.01 0.01 0.01 -0.03 -0.02 0.00 0.00 0.01 0.00 0.00 0.01 0.01 -0.00 -0.01 0.00 0.01 -0.00 -0.00 0.01 -0.01 -0.00 0.01 -0.00 0.01 -0.02 -0.01 -0.28 -0.01 -0.38 0.20 -0.32 0.30 -0.05 -0.17 -0.06 -0.38 0.01 -0.20 0.34 -0.26 0.13 -0.00 0.00 -0.03 0.01 0.08 0.03 0.05 -0.02 -0.00 -0.02 0.02 -0.09 0.01 0.00 0.01 0.00 -0.01 0.00 0.01 0.01 0.01 0.01 -0.01 0.00 0.05 -0.00 -0.01 -0.01 0.02 -0.05 0.01 -0.08 -0.05 -0.12 0.06 -0.10 0.12 -0.01 0.14 -0.04 -0.01 0.09 0.03 0.05 -0.05 -0.08 0.04 0.04 0.02 -0.03 -0.05 -0.04 -0.14 0.16 -0.03 -0.01 0.07 -0.02 -0.04 0.02 -0.01 0.01 -0.02 -0.02 0.01 -0.00 -0.02 -0.00 -0.01 -0.01 0.01 -0.01 -0.02 0.00 -0.01 -0.01 0.00 -0.01 0.02 -0.01 0.01 0.09 -0.15 -0.17 0.14 -0.04 0.12 0.01 0.08 0.24 0.02 0.07 0.14 0.05 0.02 -0.11 -0.05 -0.10 0.08 -0.06 0.18 -0.09 -0.04 0.13 -0.04 0.58 -0.40 -0.18 -0.02 -0.01 0.05 -0.03 0.01 0.05 0.01 -0.00 0.01 0.02 -0.01 0.01 0.01 -0.00 0.01 -0.00 0.01 -0.01 -0.00 0.01 0.00 0.04 -0.01 -0.00 -0.01 0.01 -0.03 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.01 -0.02 0.00 0.00 -0.01 -0.01 -0.03 0.01 -0.06 0.08 0.01 0.06 -0.01 0.06 -0.01 -0.02 -0.01 0.01 0.04 -0.03 0.09 -0.15 -0.05 0.00 -0.01 -0.01 -0.06 0.01 0.08 -0.02 -0.00 0.04 -0.02 -0.00 0.02 0.00 0.00 -0.01 -0.01 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.06 -0.01 -0.03 -0.18 -0.02 0.02 0.02 0.05 0.02 0.03 0.01 0.03 -0.02 -0.09 -0.01 0.01 -0.00 -0.01 0.05 -0.03 -0.00 0.05 -0.03 -0.49 0.74 0.28 -0.01 -0.01 0.03 -0.01 0.00 0.03 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.02 -0.01 -0.02 0.00 0.00 0.00 -0.01 0.02 0.08 0.04 0.06 0.05 -0.10 0.02 0.07 0.03 0.05 0.04 -0.08 0.01 0.03 -0.04 0.11 -0.02 0.03 -0.09 0.02 0.05 0.02 -0.02 -0.02 -0.00 -0.11 -0.01 0.12 -0.01 0.02 -0.05 0.03 -0.03 0.03 0.03 -0.01 -0.00 -0.04 0.04 -0.05 0.02 0.04 -0.03 0.25 -0.07 0.02 0.02 0.02 -0.01 -0.08 0.03 -0.04 -0.14 0.10 -0.08 -0.16 0.03 -0.10 -0.15 0.12 -0.07 -0.18 0.01 -0.10 -0.11 0.05 -0.07 0.18 -0.08 0.11 0.14 -0.22 -0.06 -0.16 -0.08 0.08 0.09 -0.07 -0.19 -0.01 -0.03 0.14 0.05 -0.07 -0.00 -0.06 -0.17 0.07 -0.08 -0.05 0.02 -0.04 0.12 -0.06 -0.05 0.04 0.02 0.28 -0.07 0.05 0.29 -0.09 0.04 0.20 -0.08 0.11 0.18 -0.07 0.10 0.19 -0.08 0.10 -0.00 0.01 -0.03 0.01 0.09 0.03 0.09 -0.02 -0.01 -0.02 0.03 -0.12 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 0.02 -0.01 -0.01 -0.01 -0.05 0.15 0.09 0.20 0.01 0.04 -0.07 -0.07 -0.06 0.03 0.04 -0.15 -0.04 -0.05 0.11 -0.05 0.01 -0.05 0.01 0.04 0.01 -0.09 -0.17 0.23 0.02 0.00 -0.03 -0.07 -0.09 0.09 -0.01 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.19 0.25 0.08 -0.04 -0.04 -0.05 0.07 -0.15 -0.47 -0.03 -0.10 0.01 -0.00 -0.08 0.09 0.04 0.13 -0.20 0.02 -0.44 0.19 0.07 -0.07 -0.09 0.13 0.07 -0.06 0.01 0.01 -0.01 0.01 -0.00 -0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.04 -0.02 -0.02 -0.02 0.04 -0.00 -0.03 -0.01 -0.02 -0.01 0.02 -0.01 0.00 -0.11 0.38 -0.06 0.07 -0.16 0.01 -0.03 -0.00 -0.05 0.05 0.02 -0.01 -0.03 0.10 -0.04 -0.01 0.00 0.04 0.01 -0.02 0.03 -0.02 -0.03 -0.07 0.05 -0.08 -0.00 0.01 0.02 0.14 0.07 -0.39 0.00 0.00 0.01 -0.08 -0.01 0.13 0.07 -0.02 -0.00 0.08 -0.01 0.01 0.07 -0.06 0.03 0.08 0.00 0.05 0.06 -0.02 0.04 -0.09 0.04 -0.04 0.24 -0.25 -0.07 0.13 -0.05 0.04 0.07 0.03 0.07 0.02 0.06 0.14 0.08 -0.03 -0.17 -0.07 -0.17 0.09 -0.09 0.08 -0.05 -0.05 0.16 -0.06 -0.02 0.11 0.01 -0.09 0.15 -0.22 -0.09 0.02 -0.26 -0.05 0.02 -0.04 -0.11 0.05 -0.08 -0.08 0.03 -0.07 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.04 0.01 0.02 0.01 -0.00 0.02 -0.01 -0.06 0.06 0.01 -0.02 0.01 0.01 0.02 -0.01 0.03 -0.11 -0.03 -0.02 0.11 0.01 -0.01 0.02 -0.00 -0.02 -0.01 0.01 0.00 -0.01 0.00 0.04 -0.00 -0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.01 -0.01 -0.01 -0.00 -0.01 -0.01 0.00 -0.01 0.01 -0.01 0.01 -0.05 0.11 0.04 0.04 0.02 -0.02 -0.12 0.20 0.46 0.09 0.12 -0.41 -0.01 0.14 -0.34 0.04 0.26 -0.32 0.04 -0.29 0.09 0.10 0.10 -0.23 0.06 -0.02 -0.02 0.04 -0.00 -0.02 0.04 -0.01 -0.01 0.02 -0.01 0.01 0.02 -0.00 0.01 0.01 -0.00 0.01 -0.00 0.00 -0.01 0.00 0.01 0.00 0.01 -0.00 -0.00 -0.00 0.01 -0.02 0.01 0.01 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.08 0.01 0.02 0.01 -0.02 0.03 0.00 -0.04 -0.07 -0.01 0.03 0.04 0.01 -0.06 -0.07 0.05 0.01 0.09 -0.05 -0.03 -0.07 0.02 0.01 -0.05 -0.03 0.04 0.04 -0.00 -0.02 0.05 0.07 -0.00 -0.04 -0.01 -0.01 0.03 0.01 -0.00 0.00 -0.01 -0.00 -0.01 -0.01 0.01 -0.01 -0.02 0.02 -0.01 -0.02 -0.00 -0.01 -0.02 0.01 -0.01 0.02 -0.01 0.01 0.04 0.11 0.04 0.27 0.44 0.19 -0.17 0.02 0.11 -0.03 -0.07 -0.22 -0.15 0.09 0.31 0.08 0.15 0.08 0.14 0.32 -0.10 0.00 -0.32 0.30 0.04 0.15 -0.02 0.07 -0.00 -0.03 0.06 -0.02 -0.02 0.03 -0.01 0.02 0.02 -0.01 0.01 0.02 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.08 -0.02 -0.03 -0.01 0.01 -0.03 0.01 0.05 -0.02 -0.07 0.04 -0.00 -0.09 -0.09 -0.02 0.02 -0.01 0.01 0.01 -0.01 0.07 0.03 -0.02 -0.02 0.02 0.05 -0.01 0.01 0.02 -0.00 -0.06 -0.00 0.05 0.01 0.01 -0.00 -0.01 0.00 -0.00 0.00 0.01 0.00 0.00 -0.01 0.00 0.01 -0.01 0.00 0.01 0.00 0.01 0.01 -0.00 0.01 -0.01 0.01 -0.01 0.29 -0.39 -0.13 0.20 0.56 0.35 -0.07 0.04 0.09 0.01 -0.00 -0.13 -0.05 0.06 0.03 -0.03 -0.05 -0.11 -0.06 -0.29 0.11 0.02 0.13 -0.18 0.02 0.10 0.01 -0.03 -0.01 0.03 -0.04 0.02 0.02 -0.02 0.00 -0.01 -0.02 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 -0.00 0.01 -0.00 0.01 0.03 0.03 0.03 -0.02 0.05 -0.00 -0.03 -0.03 -0.01 0.00 -0.01 0.01 -0.00 0.00 -0.01 0.01 0.02 0.00 0.01 -0.01 -0.04 -0.03 -0.00 0.00 0.02 -0.00 0.01 -0.00 -0.01 0.01 0.00 0.01 0.01 -0.01 -0.00 -0.00 0.05 0.16 0.04 -0.00 -0.00 -0.00 -0.00 -0.04 -0.01 0.07 -0.08 0.03 -0.09 -0.01 -0.06 -0.07 0.02 -0.04 0.06 -0.04 0.03 -0.01 -0.02 -0.01 -0.02 -0.08 -0.02 0.03 -0.04 -0.01 0.08 0.06 -0.01 0.04 0.01 0.02 0.01 0.04 0.10 0.04 -0.02 -0.08 -0.03 -0.09 0.03 -0.05 -0.02 0.00 -0.02 0.08 -0.05 -0.02 -0.01 0.01 -0.21 -0.00 -0.49 0.13 -0.34 0.39 0.06 0.15 0.06 0.33 -0.02 0.14 -0.29 0.19 -0.10 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.01 0.00 0.01 0.01 0.01 -0.00 0.01 -0.00 0.10 -0.04 0.00 -0.02 0.03 -0.08 0.01 -0.01 0.05 -0.03 -0.08 -0.02 -0.06 0.01 0.15 0.10 0.01 -0.02 -0.08 0.02 -0.04 0.01 0.03 -0.02 0.01 0.02 -0.04 0.02 0.01 0.01 -0.03 0.04 0.04 0.02 0.02 0.00 -0.03 -0.00 -0.00 0.02 -0.01 0.01 -0.02 -0.01 -0.02 -0.01 -0.01 -0.01 0.03 -0.00 0.02 0.02 -0.01 0.02 -0.02 -0.01 -0.02 -0.09 0.11 0.02 -0.29 -0.23 0.07 -0.15 -0.05 -0.12 -0.03 -0.15 -0.37 -0.16 0.07 0.34 0.12 0.35 -0.13 0.18 0.07 0.00 0.07 -0.31 0.18 0.09 0.05 -0.03 -0.10 0.00 -0.10 -0.00 -0.08 0.12 -0.04 0.06 -0.01 0.07 -0.01 0.04 -0.09 0.06 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.02 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.01 0.00 0.01 0.01 0.01 -0.01 0.01 0.02 -0.01 -0.01 0.02 0.05 0.02 -0.11 -0.08 -0.02 0.13 0.00 -0.01 -0.00 -0.01 -0.01 0.00 -0.01 -0.00 -0.01 -0.00 -0.01 -0.02 -0.01 0.00 0.02 0.00 0.01 -0.01 0.01 -0.01 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.03 0.01 -0.00 -0.03 0.01 -0.00 0.67 -0.23 0.23 -0.10 0.25 -0.37 -0.12 0.05 -0.42 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.02 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.06 -0.02 -0.01 -0.00 0.01 -0.02 0.02 -0.03 0.03 0.05 -0.09 0.06 -0.11 0.01 0.02 -0.06 -0.04 -0.02 0.06 0.00 -0.05 0.02 0.04 -0.07 -0.01 0.01 -0.02 0.01 -0.01 0.04 -0.02 0.00 0.03 0.02 0.01 0.05 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.01 -0.02 -0.01 0.01 -0.02 0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 -0.01 0.01 0.00 -0.32 0.49 0.21 -0.01 0.35 0.23 0.09 0.06 0.14 0.04 0.10 0.15 0.10 -0.04 -0.30 -0.04 -0.19 0.20 -0.06 0.26 -0.12 -0.08 0.14 0.03 0.05 0.11 -0.06 -0.00 -0.01 -0.01 0.00 -0.02 0.04 -0.00 -0.02 -0.01 -0.06 0.01 -0.03 0.02 -0.02 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.05 -0.06 -0.04 0.02 -0.09 -0.00 -0.02 -0.03 -0.02 0.00 -0.04 -0.01 0.01 0.02 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 0.01 -0.02 0.00 -0.00 -0.01 -0.01 -0.00 0.01 -0.00 -0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.03 -0.09 -0.02 0.00 -0.00 0.01 0.02 0.08 0.02 0.03 0.10 0.04 0.02 0.11 0.03 -0.05 0.11 -0.01 0.09 0.06 0.06 0.01 0.04 0.01 -0.03 -0.13 -0.04 -0.02 0.04 0.02 -0.01 0.04 0.02 0.01 0.01 0.03 0.01 0.01 0.01 0.01 -0.00 -0.04 -0.01 -0.03 0.03 -0.01 0.04 -0.02 -0.01 0.02 0.01 0.00 0.01 -0.01 0.05 0.02 0.29 0.01 0.18 -0.24 0.07 0.26 0.09 0.51 -0.02 0.21 -0.45 0.30 -0.13 0.00 -0.00 -0.00 0.00 0.02 0.01 0.01 0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 0.01 0.01 0.00 -0.01 0.00 0.05 -0.01 -0.02 0.00 -0.00 0.00 -0.02 0.03 -0.02 0.08 0.07 0.08 -0.09 0.07 -0.04 0.02 -0.07 0.03 0.02 -0.05 -0.05 -0.00 0.00 -0.01 -0.03 0.01 0.01 -0.01 -0.01 0.01 -0.00 -0.01 0.03 -0.03 -0.05 0.01 -0.02 0.01 -0.02 -0.00 0.02 0.00 -0.01 -0.01 -0.01 -0.00 -0.02 -0.00 0.01 0.01 0.01 0.02 -0.01 0.01 -0.02 0.01 -0.01 0.46 -0.35 -0.04 -0.32 -0.26 -0.21 -0.10 0.11 0.30 0.05 0.07 -0.24 -0.04 0.11 -0.14 -0.01 -0.13 0.19 -0.01 0.25 -0.11 -0.07 -0.07 0.17 -0.07 -0.09 -0.01 0.04 -0.02 0.01 0.06 -0.02 0.02 -0.01 -0.00 -0.01 -0.03 0.01 -0.02 -0.01 0.01 -0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.01 -0.04 -0.04 -0.03 -0.01 0.06 0.00 0.05 0.05 0.04 0.02 -0.08 -0.00 -0.08 0.02 -0.00 0.01 -0.01 0.03 0.01 -0.01 -0.01 -0.01 0.00 -0.04 0.05 -0.03 -0.01 -0.01 0.02 -0.00 -0.01 0.01 0.02 -0.00 -0.01 0.02 0.00 -0.00 0.01 -0.00 0.00 -0.01 0.19 -0.08 0.09 -0.02 0.01 -0.03 -0.18 0.09 -0.14 -0.05 0.17 0.00 -0.11 -0.10 -0.08 0.01 -0.16 -0.02 0.08 0.13 0.08 0.24 -0.09 0.11 -0.15 0.05 -0.05 -0.11 0.11 -0.01 0.12 0.08 0.05 0.03 -0.03 -0.08 -0.02 -0.01 0.09 0.01 -0.03 0.04 0.01 0.06 -0.07 0.01 -0.10 0.04 0.03 0.00 -0.05 -0.00 0.00 0.02 0.38 -0.10 0.11 0.38 -0.14 0.09 -0.03 0.02 -0.04 -0.22 0.10 -0.19 -0.23 0.13 -0.19 -0.00 -0.00 0.00 0.02 -0.22 -0.09 0.24 -0.10 -0.03 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.01 -0.01 0.01 0.03 -0.00 -0.01 0.00 0.00 0.01 -0.01 0.01 0.00 -0.01 -0.01 -0.02 0.02 0.03 -0.00 0.00 0.00 0.06 -0.08 -0.04 -0.01 0.00 -0.00 -0.55 0.65 0.20 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.10 -0.04 -0.03 -0.05 -0.00 0.01 -0.03 0.02 0.06 0.01 0.01 -0.06 -0.02 0.03 -0.01 -0.01 -0.03 0.04 -0.01 0.03 -0.02 -0.01 -0.01 0.02 0.12 -0.21 -0.06 -0.01 0.00 0.00 -0.01 0.00 -0.00 0.00 0.01 0.00 0.02 -0.00 0.01 -0.01 0.01 0.00 0.00 0.00 -0.01 -0.02 -0.08 -0.05 -0.07 0.01 -0.02 -0.05 0.01 -0.13 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 0.01 -0.01 -0.00 -0.01 0.04 0.08 -0.01 0.02 -0.11 -0.04 0.10 0.02 0.04 -0.05 -0.05 0.02 -0.01 -0.05 0.02 0.01 -0.00 0.03 -0.09 0.03 -0.01 0.00 0.01 -0.01 0.02 0.01 -0.01 0.01 0.26 0.12 0.36 -0.01 0.01 -0.01 -0.00 0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.01 0.00 -0.00 0.14 -0.56 -0.01 0.10 -0.25 -0.29 0.14 -0.02 -0.07 -0.00 0.05 0.20 0.09 -0.09 -0.10 0.05 0.18 -0.11 0.10 -0.09 0.05 0.06 -0.14 0.04 0.06 0.02 -0.11 0.01 -0.00 0.01 0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 -0.01 0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.09 0.06 -0.02 0.13 0.01 -0.09 -0.11 -0.07 0.03 -0.16 -0.01 -0.01 -0.02 -0.01 -0.00 -0.00 -0.00 0.02 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.02 0.06 0.02 -0.00 -0.00 -0.01 -0.04 -0.16 -0.05 -0.17 -0.08 -0.12 0.11 -0.20 0.04 0.16 0.15 0.13 -0.07 0.25 -0.00 0.04 0.16 0.05 -0.02 -0.10 -0.03 0.03 -0.02 -0.01 -0.02 -0.01 -0.00 0.02 0.01 0.01 0.01 0.02 0.03 0.02 -0.01 -0.03 0.01 0.03 -0.01 0.02 0.01 0.00 0.01 -0.04 0.02 -0.00 -0.01 0.00 0.09 -0.05 -0.26 -0.14 -0.12 0.21 0.07 0.25 0.09 0.40 0.01 0.15 -0.35 0.25 -0.08 -0.00 -0.00 0.00 0.00 0.01 0.01 0.01 -0.00 0.00 0.01 -0.00 0.03 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.02 0.01 -0.00 -0.01 0.00 -0.01 0.19 0.02 0.02 -0.01 0.02 0.00 -0.05 -0.01 0.00 -0.11 -0.02 -0.01 -0.12 -0.02 -0.02 0.01 -0.01 0.01 0.07 -0.00 -0.01 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.05 -0.01 -0.09 0.00 0.01 0.00 0.01 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.14 -0.08 -0.03 -0.12 0.10 0.10 0.23 0.04 0.10 0.05 0.17 0.36 0.18 -0.12 -0.35 0.14 0.38 -0.11 0.25 0.01 0.05 0.10 -0.41 0.19 -0.01 -0.01 0.01 -0.04 0.01 0.02 -0.04 0.01 0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.00 0.01 -0.01 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.02 0.00 -0.00 -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.12 0.03 0.01 -0.03 0.02 -0.04 -0.03 0.03 -0.07 0.07 0.05 -0.04 -0.00 -0.03 0.05 0.02 -0.03 0.03 0.02 -0.02 0.02 -0.03 -0.05 0.06 0.24 -0.04 -0.04 -0.02 -0.01 -0.02 0.03 -0.00 -0.02 0.07 0.03 0.08 -0.01 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 0.17 -0.01 -0.70 0.16 0.43 -0.09 0.05 0.15 0.02 0.00 -0.09 -0.06 0.07 0.03 -0.03 -0.10 0.04 -0.05 -0.03 0.00 -0.02 0.05 -0.02 -0.15 -0.12 0.07 -0.11 0.03 0.04 -0.12 0.01 0.03 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.02 0.02 0.02 -0.00 0.01 0.02 -0.00 0.04 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.11 0.03 -0.01 -0.03 0.00 0.02 -0.05 -0.07 0.04 -0.14 -0.12 0.20 -0.01 0.04 -0.03 0.02 0.03 -0.02 0.05 0.05 -0.00 0.07 0.13 -0.20 0.24 -0.05 -0.03 0.05 0.00 0.10 0.03 -0.00 -0.01 -0.11 -0.03 -0.15 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.02 -0.55 0.13 -0.22 -0.10 -0.05 -0.02 -0.06 -0.16 -0.04 -0.10 -0.01 -0.01 -0.03 0.11 -0.05 -0.12 0.01 -0.10 -0.02 -0.02 -0.03 0.22 -0.09 0.24 0.22 -0.22 -0.11 0.03 0.04 -0.12 0.01 0.04 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.01 -0.03 -0.00 -0.03 -0.00 0.01 -0.00 -0.01 0.03 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 0.01 -0.01 -0.01 0.00 0.01 -0.05 -0.05 0.20 -0.01 0.03 -0.05 -0.05 0.01 -0.04 0.02 0.01 -0.07 0.02 0.01 -0.08 -0.06 -0.06 0.06 0.07 -0.03 -0.01 -0.04 -0.05 0.05 0.01 -0.00 -0.00 0.13 0.14 -0.11 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.68 0.24 -0.13 0.28 0.12 -0.07 0.02 -0.05 -0.17 -0.02 -0.06 -0.09 0.03 -0.04 -0.02 0.03 0.01 0.13 0.00 0.27 -0.12 -0.09 0.07 0.07 0.21 0.12 0.05 -0.04 0.01 0.02 -0.05 0.01 0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 0.01 -0.00 0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.04 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.04 -0.01 -0.00 -0.00 0.00 0.01 0.04 0.01 0.02 -0.07 0.00 -0.04 -0.05 -0.04 0.03 -0.02 0.02 -0.04 -0.00 -0.02 0.01 0.05 0.01 -0.00 -0.01 -0.00 0.01 0.00 -0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.63 0.13 0.26 0.66 -0.06 -0.24 0.01 0.04 0.02 0.05 0.00 0.01 -0.03 0.02 -0.00 -0.00 0.00 -0.01 -0.02 -0.06 0.00 -0.06 -0.00 0.02 0.00 -0.03 0.07 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 -0.01 0.00 0.01 -0.01 -0.00 0.01 0.20 -0.21 0.04 -0.02 0.06 0.06 -0.03 0.02 -0.01 -0.06 0.06 -0.00 -0.05 0.06 -0.05 -0.01 -0.11 -0.07 0.04 0.02 -0.08 -0.14 0.22 -0.01 -0.00 0.00 0.22 0.27 -0.26 -0.00 0.00 -0.00 0.01 0.01 0.01 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.45 -0.04 0.14 -0.07 -0.26 -0.10 -0.06 0.10 0.31 0.08 0.14 -0.02 -0.09 0.13 -0.06 -0.06 -0.14 0.03 -0.04 -0.23 0.09 0.03 -0.10 0.05 -0.01 0.06 -0.10 0.04 -0.01 -0.00 0.09 -0.01 -0.02 0.01 0.00 0.00 0.01 -0.00 0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.05 0.06 0.04 0.02 -0.09 -0.00 0.05 0.06 0.04 0.02 -0.09 -0.00 0.01 0.00 -0.01 0.00 0.00 -0.01 0.00 0.02 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 0.01 -0.02 0.01 -0.03 0.01 0.01 -0.01 0.19 -0.08 0.13 -0.16 -0.18 -0.13 -0.06 0.26 0.01 -0.16 -0.17 -0.13 -0.07 0.26 -0.00 0.19 -0.07 0.10 -0.03 0.01 -0.02 -0.04 -0.01 0.00 0.04 -0.02 -0.02 -0.00 0.01 0.02 0.01 0.01 -0.01 -0.01 0.01 -0.01 0.00 -0.01 0.01 -0.00 -0.01 0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.46 0.06 -0.07 -0.36 0.19 -0.06 -0.16 0.05 -0.04 -0.22 -0.00 -0.13 -0.19 0.16 -0.08 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.03 0.01 -0.00 -0.01 0.00 0.00 -0.03 0.20 0.13 -0.03 -0.01 -0.08 0.01 -0.05 0.04 0.02 -0.06 -0.02 0.00 -0.05 -0.05 0.02 0.01 -0.01 0.07 -0.03 -0.01 0.01 0.01 -0.01 0.02 -0.01 -0.00 -0.02 -0.03 0.02 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.01 0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.48 -0.32 -0.06 0.48 -0.04 -0.09 -0.02 0.00 0.06 0.08 0.12 -0.20 -0.05 0.13 -0.19 0.05 -0.02 0.26 0.02 0.10 -0.07 -0.13 -0.05 0.24 -0.16 -0.10 -0.00 -0.08 0.02 0.03 -0.07 0.01 0.02 0.00 -0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.09 -0.06 -0.03 -0.04 0.03 -0.00 -0.01 0.02 -0.00 -0.03 -0.00 0.00 -0.02 0.01 -0.01 -0.02 0.04 0.03 -0.00 -0.00 -0.05 0.01 -0.11 0.01 -0.00 -0.00 -0.02 -0.02 0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.12 0.19 0.05 0.11 -0.15 -0.12 -0.01 0.07 0.15 0.04 0.06 0.03 -0.06 0.02 0.04 -0.02 -0.06 0.05 -0.01 -0.06 0.02 0.00 -0.04 0.04 0.72 0.54 0.03 -0.03 0.01 0.01 -0.03 0.00 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.00 -0.01 -0.00 -0.01 -0.01 -0.00 0.00 -0.01 -0.00 -0.01 -0.02 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.05 0.20 0.06 0.15 -0.12 0.08 -0.18 0.01 -0.11 0.15 -0.16 0.07 -0.19 -0.02 -0.12 0.05 0.21 0.06 -0.01 -0.04 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.55 -0.10 -0.07 -0.52 0.13 0.08 0.05 0.20 0.07 0.15 0.03 -0.00 -0.12 0.08 0.03 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.00 0.01 -0.02 -0.01 0.00 0.00 0.01 0.00 -0.10 -0.03 -0.02 0.00 -0.09 0.02 0.05 0.00 -0.01 0.02 -0.00 0.01 0.02 0.01 0.00 -0.01 0.05 -0.02 -0.00 0.05 0.02 0.04 0.07 -0.02 0.01 -0.01 -0.01 0.01 -0.03 0.01 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.02 0.02 0.01 0.01 -0.03 -0.00 0.01 -0.00 0.01 -0.01 0.00 -0.01 0.29 0.39 0.01 0.45 -0.17 -0.27 -0.02 0.02 0.07 0.03 0.05 0.05 -0.07 0.05 0.06 -0.07 -0.09 -0.04 0.01 -0.08 0.04 0.08 -0.07 -0.05 -0.31 -0.22 -0.00 -0.31 0.05 0.08 -0.31 0.06 0.08 0.03 -0.01 0.00 0.02 0.00 0.02 0.01 -0.02 0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.02 0.03 0.02 0.01 -0.04 -0.00 -0.02 -0.03 -0.02 -0.01 0.04 0.00 0.02 -0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.02 0.02 0.03 0.02 0.00 0.02 -0.00 -0.01 -0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.04 0.01 0.01 -0.02 -0.01 -0.01 0.06 -0.02 0.03 0.01 0.01 -0.00 -0.07 0.03 -0.03 -0.07 -0.07 -0.06 -0.03 0.11 -0.00 0.06 0.08 0.05 0.01 -0.11 -0.01 0.11 -0.04 0.06 -0.13 0.06 -0.09 -0.13 -0.14 0.00 -0.11 0.05 0.06 0.01 -0.03 -0.05 -0.03 -0.04 -0.06 0.06 -0.03 -0.05 0.03 0.04 -0.02 -0.00 0.04 -0.01 -0.02 0.03 -0.01 0.10 0.07 0.00 -0.14 -0.01 -0.01 -0.12 0.08 0.01 0.51 -0.13 0.03 0.26 -0.06 0.40 0.21 -0.29 0.32 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 0.01 0.00 -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.00 0.03 -0.01 0.00 0.00 -0.00 0.02 -0.00 -0.04 -0.03 -0.01 -0.01 -0.00 0.01 0.01 -0.02 -0.05 0.00 0.03 -0.01 0.00 0.00 -0.01 0.05 -0.01 -0.02 0.03 0.02 0.02 -0.11 0.03 -0.01 -0.01 -0.01 0.01 0.01 0.00 -0.02 -0.02 -0.05 -0.02 0.00 0.06 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.03 -0.01 0.01 -0.03 0.01 -0.02 0.18 0.17 -0.01 0.09 -0.04 -0.05 -0.04 0.11 0.16 0.08 0.07 0.22 -0.16 0.06 0.17 -0.07 -0.12 0.08 0.01 -0.14 0.02 0.05 -0.11 0.09 -0.14 -0.11 -0.01 0.53 -0.09 -0.11 0.52 -0.12 -0.12 0.12 -0.03 0.01 0.05 -0.02 0.09 0.04 -0.06 0.07 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.04 0.05 0.03 0.03 -0.01 0.01 0.00 -0.02 0.02 -0.01 -0.09 0.01 0.09 -0.06 -0.00 0.00 0.00 -0.04 0.00 0.01 -0.01 -0.01 -0.01 0.04 -0.01 0.01 0.01 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.02 0.01 -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.11 -0.16 -0.01 -0.09 0.08 0.06 -0.08 0.19 0.24 0.06 -0.02 0.38 -0.18 -0.02 0.31 -0.18 -0.27 0.20 0.01 -0.37 0.03 0.12 -0.28 0.26 0.02 0.01 0.00 -0.21 0.03 0.04 -0.21 0.05 0.04 -0.01 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.02 -0.03 -0.02 -0.01 0.04 0.00 0.03 0.03 0.02 0.01 -0.04 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.02 -0.01 0.00 0.01 -0.00 -0.00 0.00 -0.01 -0.02 -0.00 -0.02 0.01 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.01 0.00 0.01 -0.02 0.01 -0.02 -0.00 -0.00 0.00 0.09 -0.04 0.05 0.05 0.08 0.04 0.00 -0.10 -0.01 -0.06 -0.08 -0.05 -0.02 0.12 0.01 -0.06 0.02 -0.04 -0.07 0.03 -0.05 0.05 0.04 -0.00 -0.01 -0.01 -0.00 -0.01 0.03 0.05 0.03 0.03 0.08 -0.06 0.02 0.06 0.05 0.07 -0.03 -0.00 0.08 -0.01 -0.04 0.07 -0.04 -0.03 -0.02 -0.00 -0.07 0.04 0.04 -0.08 -0.02 0.02 0.57 -0.16 0.06 0.26 -0.10 0.42 0.22 -0.27 0.36 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 -0.02 -0.01 -0.00 0.03 -0.00 -0.01 0.02 -0.03 -0.09 -0.00 -0.09 0.04 0.00 0.00 -0.01 -0.02 0.00 0.00 0.01 0.00 0.01 0.02 -0.01 0.01 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.01 -0.01 -0.00 -0.00 0.01 -0.00 0.01 0.01 0.01 0.00 -0.02 -0.00 0.01 -0.00 0.01 0.01 -0.00 0.01 0.02 -0.03 -0.01 -0.06 -0.00 0.02 -0.08 0.19 0.27 0.12 0.08 0.40 -0.26 0.06 0.31 0.22 0.32 -0.15 -0.01 0.36 -0.05 -0.17 0.31 -0.21 -0.04 -0.04 -0.01 -0.07 0.01 0.00 -0.06 0.02 0.01 -0.08 0.02 -0.01 -0.04 0.02 -0.06 -0.03 0.04 -0.05 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 0.01 -0.00 -0.01 -0.00 0.11 0.04 -0.14 -0.12 -0.00 0.16 -0.04 -0.07 -0.02 -0.03 0.02 0.01 -0.00 -0.03 -0.00 0.01 -0.02 -0.08 0.03 0.03 0.07 0.04 0.03 0.03 -0.01 0.01 -0.02 -0.02 0.01 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.01 -0.01 0.01 0.01 0.01 -0.00 -0.02 -0.00 0.01 -0.00 0.01 -0.00 -0.00 0.00 0.47 0.34 -0.03 -0.46 0.05 0.20 0.14 -0.10 -0.12 0.09 0.23 -0.12 -0.05 0.11 -0.12 0.01 -0.04 0.20 0.01 -0.17 0.01 -0.07 -0.00 0.15 -0.12 -0.10 -0.02 -0.14 0.00 -0.02 -0.12 0.07 -0.00 -0.03 0.01 -0.00 -0.01 0.01 -0.02 -0.01 0.01 -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 0.01 -0.01 0.02 -0.00 0.01 0.01 0.01 -0.01 0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.01 0.03 0.01 -0.07 -0.00 -0.04 0.05 -0.05 0.03 -0.06 -0.04 -0.05 0.04 -0.08 0.01 0.01 0.06 0.02 -0.02 -0.06 -0.02 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.03 -0.01 0.01 -0.03 0.02 -0.01 0.15 0.65 0.22 0.02 0.21 -0.43 0.04 -0.12 0.46 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.01 0.00 0.00 -0.00 -0.02 0.01 -0.01 -0.00 -0.02 -0.01 0.01 0.02 0.01 0.01 -0.04 -0.00 0.02 0.03 0.02 -0.04 0.01 0.00 -0.04 0.00 0.03 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.02 0.00 0.02 -0.01 -0.28 0.05 -0.03 0.57 0.34 -0.10 0.40 -0.40 -0.38 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.02 0.01 0.01 0.01 -0.00 -0.01 0.00 0.00 -0.04 -0.02 -0.00 0.02 0.01 0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.05 -0.05 -0.00 0.01 0.02 0.01 0.52 -0.04 -0.03 0.18 0.43 -0.22 -0.15 -0.05 0.28 -0.09 -0.10 -0.37 -0.35 0.15 -0.08 0.08 -0.16 0.13 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.03 0.00 0.00 -0.00 0.01 -0.00 -0.01 0.02 -0.03 0.01 -0.02 0.01 0.03 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 -0.05 -0.00 -0.03 0.02 0.03 -0.25 -0.18 -0.26 0.13 0.16 0.19 -0.22 0.40 -0.20 -0.19 -0.27 -0.14 0.18 0.31 -0.00 0.32 -0.22 -0.30 0.04 0.04 0.00 -0.01 -0.01 -0.03 -0.00 0.03 -0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 -0.00 0.01 0.02 0.01 -0.00 -0.03 -0.01 0.01 0.03 0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.08 0.04 -0.09 0.00 0.00 0.00 0.22 -0.08 0.12 -0.04 0.18 0.00 -0.11 -0.13 -0.09 -0.05 0.20 -0.00 -0.12 -0.14 -0.10 0.21 -0.09 0.13 -0.06 0.02 -0.01 -0.01 -0.01 0.00 0.03 -0.01 -0.01 0.00 0.01 0.01 -0.00 -0.01 -0.00 0.00 -0.01 0.01 -0.00 -0.00 -0.02 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.11 0.18 0.39 -0.03 -0.37 0.23 -0.28 0.06 -0.05 0.21 0.21 -0.13 0.12 -0.15 -0.28 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.02 -0.06 0.00 0.00 -0.00 -0.04 0.02 -0.03 0.00 -0.05 -0.01 0.02 0.04 0.02 0.01 -0.03 -0.00 0.02 0.02 0.01 -0.03 0.01 -0.02 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.02 0.01 0.01 0.01 -0.03 -0.05 0.03 0.06 0.01 -0.05 0.05 -0.00 0.01 0.01 0.05 0.04 -0.03 0.01 -0.01 0.02 -0.01 0.01 0.00 0.00 0.11 0.24 0.64 -0.08 -0.54 0.42 0.03 -0.00 0.01 -0.01 -0.02 0.01 -0.01 0.01 0.03 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.02 -0.05 -0.02 0.03 0.02 0.01 -0.02 0.01 0.01 -0.02 -0.01 0.01 -0.03 0.00 -0.02 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.06 -0.05 0.01 0.03 0.00 -0.02 0.32 -0.09 -0.12 0.16 0.35 -0.11 -0.17 0.07 0.18 0.08 0.09 0.47 0.50 -0.17 0.11 -0.05 0.20 -0.25 0.03 0.02 -0.00 -0.00 -0.02 -0.06 0.02 0.05 -0.04 -0.00 0.01 0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.00 -0.01 0.00 -0.01 -0.01 -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.02 -0.05 -0.02 0.02 0.02 0.01 -0.02 0.01 0.01 0.01 -0.02 0.03 0.02 0.01 -0.02 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.00 0.01 0.01 0.00 0.00 -0.00 -0.01 -0.06 -0.02 0.05 0.03 0.03 -0.03 0.05 -0.01 0.05 0.02 0.03 -0.03 0.05 -0.01 -0.01 -0.05 -0.01 -0.00 -0.00 -0.00 -0.02 -0.00 0.01 0.03 -0.00 -0.02 -0.20 -0.18 -0.27 0.12 0.17 0.18 -0.20 0.36 -0.16 0.15 0.22 -0.03 -0.31 -0.27 -0.02 -0.25 0.13 0.34 0.03 0.03 0.01 -0.05 -0.00 -0.05 0.06 0.01 -0.01 0.04 0.20 0.06 -0.04 0.08 -0.16 0.05 -0.06 0.16 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 0.01 0.01 -0.01 0.02 -0.00 0.02 0.01 0.01 -0.01 0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 -0.04 -0.02 0.01 0.01 0.00 -0.02 0.01 0.01 0.01 -0.01 0.02 0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.02 -0.00 0.00 0.00 -0.00 0.02 0.11 0.03 -0.09 -0.05 -0.06 0.05 -0.11 0.02 -0.09 -0.03 -0.06 0.06 -0.09 0.02 0.02 0.10 0.03 0.00 0.01 0.00 -0.02 -0.00 0.01 0.03 -0.00 -0.02 -0.14 -0.14 -0.21 0.09 0.14 0.14 -0.16 0.28 -0.11 0.12 0.18 -0.01 -0.23 -0.22 -0.02 -0.20 0.11 0.26 0.02 0.02 0.01 0.09 -0.03 0.00 -0.09 0.06 -0.04 -0.07 -0.36 -0.12 0.08 -0.14 0.30 -0.10 0.11 -0.30 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.02 0.01 0.00 0.02 0.00 -0.01 -0.02 -0.01 -0.00 -0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.04 -0.01 0.00 -0.00 -0.00 0.09 0.39 0.12 0.01 -0.28 -0.04 -0.13 -0.22 -0.12 -0.00 0.27 0.04 0.12 0.22 0.11 -0.09 -0.38 -0.12 0.01 0.03 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.21 -0.04 0.07 -0.21 0.10 -0.05 0.04 0.19 0.06 -0.17 0.11 -0.25 0.17 -0.14 0.24 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 -0.00 -0.02 -0.02 0.02 -0.01 0.02 0.00 0.01 0.02 -0.02 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.04 -0.02 0.03 -0.00 0.00 0.00 -0.24 0.10 -0.13 0.35 -0.22 0.19 0.38 -0.08 0.23 -0.35 0.20 -0.19 -0.37 0.09 -0.22 0.22 -0.09 0.13 -0.04 0.01 -0.01 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.03 -0.03 -0.04 -0.02 0.06 -0.01 -0.05 0.02 -0.01 0.08 0.07 -0.02 0.05 -0.07 -0.06 0.01 0.00 0.01 0.00 0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.02 0.01 -0.00 -0.08 -0.07 0.01 0.00 -0.02 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.45 0.29 0.13 0.00 -0.00 0.01 -0.41 -0.25 -0.15 -0.00 -0.00 0.00 0.04 0.03 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.23 0.18 0.00 0.01 0.01 0.00 0.01 0.01 0.01 0.00 0.00 -0.01 -0.00 -0.02 0.03 -0.00 -0.01 0.01 -0.00 -0.01 0.00 -0.00 0.02 -0.01 -0.41 -0.38 0.18 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.02 -0.04 -0.07 0.16 -0.46 0.02 -0.02 0.01 0.00 -0.01 0.01 0.01 0.03 -0.07 -0.01 0.01 -0.00 0.00 -0.00 0.01 -0.01 0.00 -0.01 0.06 -0.25 0.74 0.01 0.00 0.01 -0.01 -0.00 0.02 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.07 -0.03 0.03 0.18 -0.03 -0.17 -0.01 0.00 -0.01 -0.00 -0.00 0.05 0.00 -0.00 -0.00 0.01 0.03 -0.09 -0.08 0.09 -0.03 0.00 -0.00 0.00 0.02 0.02 -0.01 0.12 -0.05 -0.01 0.12 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.02 -0.00 -0.04 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.21 -0.12 0.32 -0.16 -0.03 -0.24 -0.20 -0.12 -0.44 0.26 0.04 0.05 -0.06 -0.27 0.45 0.32 0.22 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.02 0.04 0.00 0.03 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.33 -0.20 0.49 -0.25 -0.05 -0.36 -0.29 -0.19 0.28 -0.17 -0.03 -0.03 0.04 0.18 -0.29 -0.21 -0.14 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.02 0.02 -0.05 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.19 -0.21 0.78 0.14 -0.31 -0.20 0.27 0.28 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 0.00 0.01 -0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 -0.00 -0.16 0.08 0.02 -0.14 -0.12 -0.07 0.61 -0.38 -0.07 -0.03 0.01 0.04 0.47 0.36 0.24 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.02 0.06 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.09 0.67 -0.23 -0.19 -0.42 -0.52 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.09 -0.01 -0.02 -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.01 0.00 0.57 -0.30 -0.07 0.49 0.43 0.27 0.17 -0.11 -0.02 -0.01 0.00 0.00 0.13 0.10 0.06 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.12 -0.14 0.50 -0.22 0.51 0.28 -0.39 -0.41 -0.03 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.09 0.03 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.02 0.03 0.02 0.75 -0.47 -0.29 0.13 0.04 0.23 0.17 0.13 -0.01 0.01 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 0.01 -0.01 0.06 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.09 -0.03 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 0.00 -0.01 0.01 0.05 0.01 0.01 0.00 0.00 -0.00 0.00 0.08 0.64 -0.23 0.20 0.42 0.54 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.02 -0.03 -0.08 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 -0.05 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.21 0.12 0.01 -0.17 0.17 0.91 0.17 0.12 0.07 -0.00 0.00 -0.00 -0.00 -0.03 0.01 -0.01 -0.02 -0.03 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.09 -0.03 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 -0.02 -0.25 0.54 0.32 0.51 0.51 0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 -0.06 0.02 -0.04 0.05 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.10 -0.10 0.66 -0.19 0.41 -0.57 0.00 0.03 -0.02 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 0.03 0.01 0.00 0.00 -0.02 0.02 -0.11 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.06 -0.01 0.03 -0.05 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.11 -0.10 0.66 0.18 -0.37 0.53 -0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.01 0.01 0.04 0.01 0.00 0.00 -0.06 0.06 -0.28 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.00 0.01 -0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.02 0.02 -0.08 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.05 -0.04 0.29 0.04 -0.07 0.10 -0.00 -0.06 0.03 0.01 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 0.00 0.18 -0.21 0.90 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 17 9 9 9 9 9 9 9 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.150 1.00000 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 17 9 9 9 9 9 9 9 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.96885 18.99840 18.99840 18.99840 18.99840 18.99840 18.99840 18.99840 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 418.05706 0.99989 -0.0145 0.0015 0.01449 0.99989 0.00432 -0.00157 -0.00429 0.99999 asymmetric 1 0.01453 0.00288 0.00267 0.30267 0.06006 0.05563 747943.2 9.97 16.07 23.81 36.67 50.09 51.39 64.20 93.02 107.76 159.85 173.77 187.12 197.24 229.21 239.80 261.15 281.07 296.53 320.85 324.70 357.44 378.48 403.07 408.59 424.71 429.66 451.85 483.93 497.87 510.74 533.96 557.50 583.05 597.65 645.72 650.96 677.28 692.51 701.36 769.75 790.41 820.91 871.80 895.14 930.96 944.15 958.35 989.20 1030.27 1036.82 1054.34 1103.64 1143.84 1209.20 1272.53 1297.95 1324.98 1361.58 1374.56 1397.55 1410.45 1429.44 1461.58 1493.21 1500.54 1519.94 1558.12 1565.06 1599.15 1608.99 1614.83 1632.41 1635.57 1640.89 1688.33 1726.47 1792.81 1826.63 1838.40 1859.62 1896.79 1911.71 1921.78 1995.77 2027.89 2037.05 2043.00 2059.30 2062.56 2105.54 2124.93 2139.30 2142.50 2150.24 2161.64 2167.62 2176.81 2181.61 2182.59 2353.45 2422.36 2448.98 2553.84 4349.83 4356.05 4371.32 4429.40 4435.02 4440.11 4464.74 4466.13 4507.14 4509.26 4515.57 4558.83 4564.97 4587.21 0.284877 0.311797 0.312741 0.221467 -1965.965944 -1965.939024 -1965.938080 -1966.029353 195.655 96.978 192.102 0.000 0.000 0.000 0.889 2.981 43.982 0.889 2.981 37.006 193.878 91.017 111.114 1 0.593 1.987 8.740 2 0.593 1.987 7.791 3 0.593 1.986 7.011 4 0.593 1.985 6.153 5 0.594 1.983 5.534 6 0.594 1.982 5.484 7 0.595 1.980 5.043 8 0.597 1.971 4.310 9 0.599 1.966 4.020 10 0.607 1.940 3.250 11 0.609 1.932 3.088 12 0.612 1.923 2.945 13 0.614 1.916 2.844 14 0.621 1.892 2.558 15 0.624 1.883 2.473 16 0.630 1.865 2.313 17 0.636 1.846 2.176 18 0.641 1.831 2.078 19 0.649 1.806 1.935 20 0.650 1.802 1.913 21 0.662 1.765 1.742 22 0.670 1.741 1.641 23 0.680 1.710 1.533 24 0.682 1.703 1.510 25 0.689 1.683 1.444 26 0.692 1.676 1.425 27 0.702 1.647 1.341 28 0.717 1.603 1.229 29 0.724 1.583 1.184 30 0.731 1.565 1.144 31 0.743 1.532 1.075 32 0.756 1.497 1.010 33 0.770 1.459 0.944 34 0.779 1.437 0.908 35 0.808 1.364 0.799 36 0.811 1.356 0.788 37 0.828 1.315 0.736 38 0.838 1.291 0.707 39 0.843 1.278 0.690 40 0.890 1.173 0.576 41 0.905 1.141 0.545 42 0.927 1.095 0.503 43 0.965 1.019 0.440 0.146644e+30 29.166265 67.157807 0.159926e+14 13.203918 30.403146 0.100000e+01 0.000000 0.000000 0.335975e+09 8.526307 19.632548 0.272923e+08 7.436039 17.122113 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 3.8730 1.7233 2.0951 4.7285 -166.5349 -168.2058 -160.6364 -15.7899 -0.0215 0.2513 -1.4092 -3.0801 4.4893 -15.7899 -0.0215 0.2513 255.3263 -5.9583 12.5874 -29.9722 -9.5640 5.9032 7.4078 -17.9878 11.4326 -30.3570 -17545.2463 -2787.4595 -1299.8887 -452.1580 204.8179 148.3772 -5.7796 -16.7702 11.6281 -3558.1389 -3068.4782 -681.1107 -94.0347 -7.4061 26.6513 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -1966.2508205 4.014E-9 4.285E-6 0.2848765 0.3117967 -1965.9390237 -1965.9380796 -1966.0293534 -1.5846841,-1.618497,3.2031811,11.2789645,3.278059,-0.9663653 C01 [X(C17H14Cl1F7O2)] -1.4785908 0.8962745 -0.6865623 -0.1308789 0.0823447 -0.0638162 0.0872383 -0.0613121 0.0418048 -0.3269964 0.2100513 -0.5137783 -0.4724086 0.1638223 0.0513511 0.2765073 -1.0556473 0.0067781 0.1221554 -0.0459158 -0.3118716 -1.1687685 -0.0138543 0.0084312 -0.0786567 -0.3895488 -0.0517195 0.0940618 -0.0836827 -0.3124773 -0.3912285 0.0695551 -0.0089487 0.078834 -0.3237275 0.0057057 0.0234956 0.0022618 -0.9453884 -0.4936936 0.4360042 -0.2148417 0.3945935 -0.7796653 0.2199216 -0.2196683 0.21615 -0.2280592 -0.2326605 -0.1697033 -0.099553 -0.1518856 -1.0486101 -0.2886293 -0.1098004 -0.2833586 -0.225736 -0.5679357 0.4370233 -0.2141908 0.5211629 -0.7705774 0.2237398 -0.2513688 0.2173069 -0.2316202 -0.233749 -0.1815136 -0.0959806 -0.2727537 -1.1032847 -0.2880207 -0.1338135 -0.2961809 -0.2277149 -2.3578666 -0.5225502 -0.3907498 -0.5716109 -0.3361835 -0.104987 -0.2367303 -0.090886 -0.5904148 -0.9111422 -0.1545 0.0020957 -0.1598011 -0.359538 0.0005907 -0.1370983 -0.0697868 -1.077372 0.705993 -0.0502775 -0.0800088 0.039151 0.2544857 -0.020097 0.3275351 -0.0710172 0.1520661 -0.2586398 0.2917343 -0.0103789 0.5935292 -0.1567857 -0.0305389 0.0473567 0.0708628 -0.0641351 -0.7743837 -0.2388908 0.1659658 -0.6161856 -0.0325578 0.0832944 0.2894857 -0.0606835 -0.0728237 0.0005168 0.0114794 0.0380928 -0.0183184 0.0446251 -0.0030602 -0.019063 -0.0522176 0.0092905 -0.0145003 -0.0006373 0.042512 -0.0115115 0.0210006 0.0198613 -0.0268105 0.0805691 -0.0612244 0.3677247 -0.340162 -0.071017 -0.3739056 0.1008617 0.0429551 -0.3776189 0.1987621 -0.1716604 2.5360031 0.6166853 0.1677229 0.6880535 0.3260895 0.0624618 0.1902017 0.1273951 1.3651101 -0.342987 0.0744999 0.2700716 0.098534 -0.2513493 -0.1878177 0.6874554 -0.4165559 0.7029614 1.3204451 0.2518295 0.1586093 0.2437987 0.3221952 0.0290804 -0.1516982 -0.0373427 0.4101341 2.1406884 -0.25533 -0.1515525 -0.3134789 1.8425426 0.1091208 -0.5001762 0.2903055 1.4641718 -0.1283323 -0.0025903 -0.0095632 -0.0015578 -0.1123434 0.0032772 -0.1173145 -0.0255146 -0.1983163 0.5168494 -0.5685191 0.2291821 -0.2643953 0.7819661 -0.1621403 0.2454675 -0.3122022 0.2383968 0.2555172 0.3102105 0.1376701 0.0350997 1.0512889 0.2424134 0.0897462 0.3778044 0.2323269 0.4832173 -0.6091519 0.1673504 -0.5473781 0.7269992 -0.2431847 0.2262175 -0.3450523 0.1517058 0.0817524 0.30224 0.0436978 0.2454539 1.1309794 0.2856833 0.0550629 0.4013354 0.1474863 0.0985278 0.0446364 0.1352193 0.0471712 -0.0826577 0.0330162 0.1780359 0.0402918 0.0886142 0.1035609 0.0078522 -0.0109219 0.0005361 0.0638316 -0.0075223 -0.125295 -0.027895 0.0195065 0.0297466 0.0417022 0.0079983 0.0267577 0.0487427 0.0202144 -0.002487 -0.0038286 0.0107876 0.0012824 -0.0221303 0.0231361 -0.0010991 0.0639384 -0.0466584 -0.0131095 -0.0258446 -0.0343016 0.0783962 -0.0152774 0.0229351 0.0091909 -0.0325036 -0.1163315 0.0407789 -0.0719152 -0.0499 -0.0873737 -0.1201064 0.0119498 -0.0920158 0.0093689 0.0211368 -0.0165724 0.0162353 0.0312014 -0.0259718 0.1174749 -0.0468951 0.0851113 -0.0525236 0.0622943 -0.005651 0.0510839 0.0511715 -0.0839406 -0.1221395 -0.037548 -0.0810454 -0.0269545 -0.036527 -0.0006158 -0.0379385 0.0743065 0.0963936 0.025632 0.0349408 0.0137025 0.0595677 0.0676046 0.0401282 0.0214743 -0.0264087 -0.0403418 0.1359532 -0.0251896 0.1090524 -0.0623031 -0.0053535 -0.0338705 -0.000951 0.0407163 0.0698018 0.0250478 -0.0576159 0.0158295 0.1168589 0.0406136 0.0031172 0.0019922 0.010131 -0.0632106 -0.035435 -0.0231327 -0.0147824 -0.0080064 -0.0719708 0.0808467 -0.0044738 0.0462937 -0.0791882 0.0018336 -0.0498408 -0.0183248 0.0012055 0.0532773 0.070711 0.0408847 0.0489657 -0.021484 -0.0238502 0.018095 -0.0232448 0.0879392 0.0001639 -0.0223554 -0.0085723 -0.0843479 0.0204955 -0.0362642 -0.0415536 -0.0744775 -0.0275541 0.0142429 0.0017272 0.0397624 0.064347 -0.0262265 0.0353224 -0.0337284 0.0771213 0.019147 -0.0246937 0.0145275 -0.0327132 0.0678594 278.4325016|-9.9807609|214.1846238|35.6231186|3.3076449|190.6384497 0.000004116 -0.000002692 0.000001649 -0.000006348 -0.000003572 0.000007056 -0.000000684 0.000004836 0.000006346 -0.000013247 0.000008850 -0.000004860 -0.000001312 0.000002317 0.000000012 -0.000000390 -0.000001649 -0.000000819 0.000001080 -0.000001835 0.000000721 0.000000570 0.000002117 0.000001575 0.000015392 0.000004603 0.000001306 -0.000002144 -0.000000448 0.000006614 -0.000008866 -0.000003513 0.000003514 -0.000000656 0.000001068 0.000000806 0.000007870 0.000003341 -0.000005688 0.000000549 0.000003241 -0.000005217 0.000005455 0.000004777 0.000002454 0.000004578 -0.000005160 -0.000004717 -0.000012302 -0.000009624 -0.000010334 -0.000003074 0.000000777 -0.000002001 -0.000009862 -0.000002768 0.000007854 0.000014217 -0.000008396 -0.000002546 -0.000001848 0.000000763 -0.000004097 0.000004254 -0.000003021 0.000002605 0.000002666 0.000004491 0.000004492 -0.000003176 0.000002924 -0.000005207 -0.000004429 -0.000003664 -0.000000848 0.000002927 -0.000000443 0.000003630 0.000000067 -0.000001099 0.000001144 0.000000112 0.000001097 -0.000000361 -0.000002764 -0.000000731 0.000000281 0.000000163 -0.000000942 0.000000052 0.000000261 -0.000000697 0.000000162 0.000000149 -0.000001391 0.000000178 0.000000652 -0.000001436 0.000000414 0.000000445 0.000001842 -0.000001464 0.000001341 0.000000050 -0.000002026 0.000001710 0.000000485 -0.000001855 0.000002271 0.000001209 -0.000001292 0.000002089 0.000000916 0.000000156 -0.000001007 0.000002878 -0.000000226 0.000000724 0.000000246 -0.000000630 -0.000001549 0.000000252 0.000001169 404.62252239999975 AuxInfo=1/0/N:11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;2;3;4;5;6;7;8;9;10;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0F0F0F0F0F0F0F0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:5.0133,-.7134,1.8833;5.6086,-2.4504,-.5834;6.8484,-.6684,-.5836;5.2466,-.8763,-2.0393;-2.9097,-2.4291,.4419;-3.9487,2.1816,.4254;-6.0387,1.7049,-1.1971;-5.0005,-2.9055,-1.1789;-1.069,.4657,.5125;.1835,.8134,2.3563;2.0271,2.327,.2901;2.6086,.9686,.64;1.1542,1.0827,.1706;2.4116,3.0041,-1.0137;1.8171,3.3021,1.4337;3.5838,.2838,-.2137;.0821,.7823,1.1523;4.6233,-.4421,.201;-2.1963,.1621,1.3753;5.5828,-1.1107,-.7507;-3.371,-.1101,.4866;-3.6732,-1.3956,.0466;-4.1954,.9176,.0375;-5.2741,.6697,-.7997;-4.7534,-1.64,-.7903;-5.5852,-.6159,-1.2357;-6.7481,-.8834,-2.1512;2.7016,.7859,1.7038;.9312,.761,-.8392;2.4913,2.3082,-1.8504;3.3725,3.516,-.9058;1.6589,3.7523,-1.2776;2.7343,3.8758,1.5959;1.5538,2.799,2.3628;1.018,4.0084,1.1874;3.4631,.3673,-1.2873;-2.3835,1.0134,2.0295;-1.9525,-.7053,1.9883;-6.4281,-.8415,-3.1968;-7.1605,-1.8757,-1.9691;-7.5288,-.1364,-2.0105; Gaussian 16 13-May-2023 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 117 C1[X(C17H14ClF7O2)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=checkguess=read output=wfx 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 0 404.62252239999975 AuxInfo=1/0/N:11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;2;3;4;5;6;7;8;9;10;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0F0F0F0F0F0F0F0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:5.0133,-.7134,1.8833;5.6086,-2.4504,-.5834;6.8484,-.6684,-.5836;5.2466,-.8763,-2.0393;-2.9097,-2.4291,.4419;-3.9487,2.1816,.4254;-6.0387,1.7049,-1.1971;-5.0005,-2.9055,-1.1789;-1.069,.4657,.5125;.1835,.8134,2.3563;2.0271,2.327,.2901;2.6086,.9686,.64;1.1542,1.0827,.1706;2.4116,3.0041,-1.0137;1.8171,3.3021,1.4337;3.5838,.2838,-.2137;.0821,.7823,1.1523;4.6233,-.4421,.201;-2.1963,.1621,1.3753;5.5828,-1.1107,-.7507;-3.371,-.1101,.4866;-3.6732,-1.3956,.0466;-4.1954,.9176,.0375;-5.2741,.6697,-.7997;-4.7534,-1.64,-.7903;-5.5852,-.6159,-1.2357;-6.7481,-.8834,-2.1512;2.7016,.7859,1.7038;.9312,.761,-.8392;2.4913,2.3082,-1.8504;3.3725,3.516,-.9058;1.6589,3.7523,-1.2776;2.7343,3.8758,1.5959;1.5538,2.799,2.3628;1.018,4.0084,1.1874;3.4631,.3673,-1.2873;-2.3835,1.0134,2.0295;-1.9525,-.7053,1.9883;-6.4281,-.8415,-3.1968;-7.1605,-1.8757,-1.9691;-7.5288,-.1364,-2.0105; oldchk=/home/valentin/Almacen/Insecticides/G3/Tefluthrin-trans/gaussian/gas/CON #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read ou 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction Tefluthrin-trans/ CONF88 gas Redundant internal coordinates found in file. (old form). 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 35 19 19 19 19 19 19 19 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 18.9984033 18.9984033 18.9984033 18.9984033 18.9984033 18.9984033 18.9984033 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 6.7500000 6.7500000 6.7500000 6.7500000 6.7500000 6.7500000 6.7500000 5.6000000 5.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 686 A 686 1101 713 106 106 2647.3235013992 41 41 41 1.00e+00 60 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 Grimme-D3 -0.0427867284 0.000000 3.075139 0.000000 3.074990 2.170898 0.000000 3.932870 2.174463 2.174389 0.000000 8.233758 8.579824 9.968586 8.665572 0.000000 9.530175 10.668438 11.212436 9.998925 4.726272 0.000000 11.725375 12.381596 13.118216 11.607327 5.437568 2.688434 0.000000 10.698513 10.635543 12.072945 10.481437 2.688013 5.436729 4.725932 0.000000 6.345350 7.368517 8.072983 6.942535 3.431136 3.353317 5.399706 5.448157 0.000000 5.087410 6.980433 7.433727 6.914549 4.872993 4.761916 7.220653 7.293926 2.255942 0.000000 4.549669 6.034379 5.742890 5.104114 6.856720 5.979115 8.225334 8.883897 3.619326 3.155797 0.000000 3.187044 4.710239 4.706663 4.188175 6.483498 6.672080 8.870991 8.730207 3.714071 2.975114 1.518465 0.000000 4.588245 5.735301 6.004975 5.046701 5.377855 5.226089 7.348186 7.457030 2.332401 2.406651 1.524585 1.532588 0.000000 5.383421 6.337033 5.775610 4.913931 7.743011 6.572746 8.551571 9.481038 4.570258 4.595713 1.518615 2.629959 2.583682 0.000000 5.151907 7.178854 6.719267 6.425090 7.494850 5.959644 8.437203 9.583318 4.150131 3.116714 1.517493 2.588763 2.638269 2.536073 0.000000 2.726768 3.422393 3.420747 2.728297 7.067865 7.794123 9.776463 9.208323 4.712601 4.295019 2.617530 1.465792 2.586283 3.068225 3.865871 0.000000 5.204609 6.633653 7.134471 6.293526 4.446198 4.328290 6.620857 6.698325 1.354497 1.208706 2.629078 2.584661 1.484289 3.879943 3.072246 3.791544 0.000000 1.748070 2.370496 2.370216 2.365533 7.794372 8.967405 10.965588 10.029463 5.772664 5.092528 3.796896 2.498379 3.789612 4.271306 4.838796 1.334047 4.798616 0.000000 7.280253 8.460367 9.291583 8.254300 2.845016 2.837606 4.874682 4.878284 1.451691 2.655139 4.868387 4.927325 3.677547 5.917505 5.096137 5.995711 2.371829 6.946283 0.000000 2.724042 1.350348 1.351041 1.352150 8.676606 10.152483 11.966107 10.742971 6.951800 6.519877 5.054138 3.886323 5.027234 5.201712 6.198828 2.495882 6.120685 1.507796 8.164213 0.000000 8.521176 9.341011 10.290425 9.012706 2.364756 2.364216 3.639554 3.639110 2.373044 4.121039 5.925967 6.078092 4.690384 6.737012 6.281465 7.000996 3.628161 8.006274 1.497966 9.094092 0.000000 8.904740 9.362798 10.565566 9.175153 1.344332 3.607712 4.093399 2.354403 3.234740 5.008858 6.812524 6.738239 5.427840 7.583329 7.357760 7.453344 4.479810 8.352585 2.524537 9.294703 1.391893 0.000000 9.532379 10.384928 11.174345 9.832645 3.607870 1.344915 2.354179 4.091960 3.194367 4.956015 6.385038 6.830821 5.353728 7.007847 6.617015 7.808934 4.422428 8.924387 2.521321 10.017392 1.391985 2.371456 0.000000 10.721062 11.323178 12.198017 10.705617 4.090766 2.354351 1.346955 3.605675 4.409779 6.306040 7.565767 8.018688 6.514168 8.035185 7.886846 8.885577 5.701907 10.009788 3.802825 11.002012 2.425817 2.746750 1.387806 0.000000 10.168356 10.395731 11.644294 10.106587 2.353787 4.090204 3.606404 1.346667 4.439177 6.347714 7.929658 7.940468 6.575447 8.541382 8.517206 8.575693 5.746649 9.504785 3.804804 10.349871 2.425306 1.388161 2.745576 2.367707 0.000000 11.048362 11.361904 12.450841 10.864680 3.641519 3.641815 2.364994 2.363825 4.962092 6.944318 8.302744 8.553866 7.091021 8.780799 8.790385 9.269545 6.306852 10.310614 4.348316 11.189523 2.850445 2.430675 2.429893 1.392706 1.392549 0.000000 12.435273 12.553934 13.688260 11.995184 4.883299 4.885581 2.848306 2.844026 6.416182 8.440585 9.657637 9.938281 8.467724 10.015303 10.184916 10.576564 7.767845 11.620521 5.852221 12.412268 4.354393 3.814123 3.814505 2.532070 2.530452 1.503964 0.000000 2.761168 4.914852 4.954120 4.821832 6.588994 6.914412 9.254894 9.014343 3.967240 2.601434 2.197331 1.083335 2.198422 3.519802 2.680793 2.169529 2.676895 2.731194 4.948341 4.233583 6.257832 6.938557 7.096596 8.360146 8.226955 8.903759 10.341363 0.000000 5.123415 5.679520 6.092799 4.769028 5.154615 5.237415 7.042636 6.981657 2.432061 3.282222 2.220026 2.246111 1.083039 2.693255 3.522505 2.766806 2.164995 4.020140 3.878617 5.014879 4.585301 5.161028 5.203298 6.206028 6.171059 6.672065 7.962193 3.098636 0.000000 5.425072 5.828159 5.426736 4.215257 7.541034 6.831473 8.576239 9.152087 4.653377 5.025659 2.190376 2.830288 2.715588 1.091256 3.496823 2.823233 4.141081 4.039620 6.081497 4.738779 6.758408 7.437630 7.085828 8.005562 8.318538 8.611498 9.779707 3.872205 2.418762 0.000000 5.325326 6.379806 5.449286 4.908048 8.753606 7.559952 9.588306 10.555417 5.571591 5.302395 2.157338 3.076037 3.464153 1.094047 2.817485 3.312172 4.747102 4.296102 6.889367 5.129904 7.782139 8.641350 8.056878 9.103568 9.624336 9.870220 11.105457 3.835801 3.681609 1.768466 0.000000 6.417606 7.386168 6.852370 5.905530 7.876405 6.067348 7.965644 9.417187 4.631154 4.900972 2.150548 3.511132 3.078751 1.093597 2.752965 4.106980 4.148628 5.344855 5.898310 6.270851 6.582572 7.529009 6.636028 7.602383 8.392380 8.459284 9.640010 4.333044 3.109583 1.762475 1.769309 0.000000 5.131907 7.282263 6.505785 6.489053 8.540332 6.993126 9.459390 10.654221 5.221836 4.057480 2.145705 3.062825 3.511298 2.770156 1.093914 4.110717 4.098799 4.915111 6.176639 6.203668 7.375136 8.440642 7.694129 8.952762 9.601255 9.869530 11.251952 3.091898 4.345414 3.793884 2.606802 3.070671 0.000000 4.953248 7.257968 6.981192 6.820751 7.137632 5.866302 8.456806 9.383211 3.968305 2.412605 2.177847 2.726004 2.812663 3.489780 1.088940 4.133415 2.774595 4.959872 4.689561 6.419735 6.019745 7.090988 6.480750 7.820230 8.332400 8.693521 10.141927 2.409212 3.846308 4.344120 3.808640 3.764672 1.772313 0.000000 6.224307 8.119461 7.681308 7.221649 7.577808 5.346620 7.796733 9.466961 4.166741 3.503000 2.156509 3.474188 3.100284 2.791981 1.094563 4.734814 3.359240 5.811941 5.016079 7.127356 6.059411 7.246532 6.168792 7.394940 8.314138 8.417689 9.766653 3.672277 3.828826 3.780135 3.188663 2.559786 1.769271 1.769606 0.000000 3.691002 3.610826 3.609464 2.300625 7.170904 7.820456 9.595922 9.074969 4.877342 4.922436 2.896637 2.192255 2.822829 2.851914 4.327356 1.083573 4.189796 2.053368 6.257765 2.639259 7.076622 7.470869 7.791614 8.755945 8.472724 9.101697 10.323681 3.114693 2.601212 2.242484 3.173000 3.835798 4.599246 4.783481 5.035857 0.000000 7.597033 9.093849 9.740850 8.851143 3.827187 2.527444 4.924441 5.700854 2.080611 2.595391 4.919740 5.182070 3.996861 6.017992 4.820609 6.416518 2.627159 7.386254 1.089783 8.700743 2.148931 3.376142 2.694454 4.059311 4.539622 4.854594 6.334471 5.100551 4.390853 6.363440 6.928921 5.897384 5.879885 4.336138 4.609695 6.752780 0.000000 6.966611 8.174945 9.169120 8.250894 2.505699 3.842102 5.714293 4.915443 2.080820 2.646605 5.283552 5.042261 4.019023 6.466618 5.529698 6.039666 2.655541 6.819482 1.089713 8.027954 2.149712 2.684641 3.386711 4.549322 4.054515 4.857843 6.337527 4.895470 4.296550 6.600343 7.385866 6.601419 6.565587 4.971460 5.628917 6.419372 1.772373 0.000000 12.519140 12.421755 13.532334 11.731950 5.304686 5.329750 3.261099 3.220276 6.647375 8.791405 9.679239 9.983005 8.516638 9.884066 10.324458 10.507269 7.995891 11.568845 6.310306 12.260409 4.842339 4.291395 4.305850 3.059672 3.038640 2.146432 1.094287 10.488810 7.892097 9.554503 10.967556 9.496597 11.365410 10.386257 9.908917 10.146060 6.863923 6.850850 0.000000 12.821606 12.856950 14.128968 12.447487 4.918204 5.701761 3.830808 2.520067 6.981907 8.937263 10.352698 10.504018 9.081021 10.786595 10.908091 11.098872 8.322499 12.067454 6.323084 12.824301 4.848519 4.056446 4.541047 3.377160 2.690576 2.146286 1.089915 10.855198 8.585133 10.520288 11.880433 10.484950 11.987338 10.796228 10.558106 10.879189 6.866963 6.644812 1.764456 0.000000 13.145311 13.415794 14.457672 12.796849 5.710261 4.911525 2.504454 3.840863 6.961131 8.913514 10.132924 10.536351 9.035381 10.472256 10.537173 11.264768 8.292990 12.355526 6.323686 13.208025 4.850135 4.547859 4.051803 2.683218 3.384176 2.146567 1.089689 10.922810 8.587721 10.315242 11.549822 10.003641 11.594632 10.499394 10.022641 11.027181 6.642118 6.885403 1.765311 1.778363 0.000000 C17H14ClF7O2 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 0 404.62252239999975 AuxInfo=1/0/N:11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;2;3;4;5;6;7;8;9;10;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0F0F0F0F0F0F0F0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.1384,-.2831,-1.6617;-5.5487,-2.7058,.1873;-6.7876,-1.0395,.821;-5.083,-1.6449,2.0275;2.8714,-2.1681,-1.3706;3.9024,2.2394,-.0108;6.1065,1.3388,1.2376;5.0762,-3.0679,-.1238;1.0264,.5644,-.4207;-.3585,1.43,-1.9769;-2.0476,2.1937,.577;-2.6514,.9943,-.1319;-1.1665,.9938,.2476;-2.3363,2.4297,2.0492;-1.9235,3.4769,-.2234;-3.5603,.0579,.5357;-.169,1.0342,-.8507;-4.6264,-.5308,-.0087;2.0877,.5666,-1.4111;-5.5126,-1.4814,.7558;3.3249,.0634,-.7327;3.6604,-1.2874,-.731;4.1786,.9236,-.048;5.3161,.4571,.5956;4.7995,-1.7505,-.0867;5.6603,-.8924,.5929;6.8876,-1.3996,1.2989;-2.8219,1.1439,-1.1912;-.8696,.3837,1.0918;-2.3534,1.5092,2.6351;-3.3033,2.9268,2.1707;-1.5673,3.0788,2.4773;-2.8509,4.0506,-.1375;-1.7284,3.2889,-1.2781;-1.1094,4.0927,.1719;-3.3612,-.1886,1.5719;2.2252,1.5815,-1.7835;1.8009,-.077,-2.2424;6.6451,-1.6876,2.3264;7.2869,-2.2783,.7926;7.6548,-.627,1.3406; 0.3026686 0.0600597 0.0556297 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 NBasis= 686 RedAO= T EigKep= 1.26D-06 NBF= 686 NBsUse= 685 1.00D-06 EigRej= 9.37D-07 NBFU= 685 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= 680 680 680 680 680 MxSgAt= 41 MxSgA2= 41. 1 Closed 1 1 1 -1966.25082048330 -1966.25082048320 0.000000000096 -1966.25082048 2 1.960017880206e+03 -9.933083370555e+03 3.359533955195e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245691381 LenY= 4245182299 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. PT1211.300S 2023-05-13T02:51:01.000 -101.57566 -24.72847 -24.72587 -24.72528 -24.72352 -24.72315 -24.72120 -24.72115 -19.19001 -19.12970 -10.44758 -10.32249 -10.30079 -10.30079 -10.29725 -10.29704 -10.26606 -10.26298 -10.23639 -10.23267 -10.22795 -10.22400 -10.21697 -10.21658 -10.20170 -10.18719 -10.17672 -9.49007 -7.25494 -7.24472 -7.24444 -1.33117 -1.27249 -1.27176 -1.25840 -1.25785 -1.24468 -1.23949 -1.12953 -1.04301 -0.92156 -0.92017 -0.90166 -0.84255 -0.80377 -0.79099 -0.78382 -0.76293 -0.74254 -0.71867 -0.71381 -0.67632 -0.67234 -0.65513 -0.63674 -0.61243 -0.60840 -0.60339 -0.59130 -0.58658 -0.58512 -0.57428 -0.56608 -0.55864 -0.53611 -0.53100 -0.52844 -0.51175 -0.50458 -0.49728 -0.49461 -0.48964 -0.48713 -0.48395 -0.48377 -0.48075 -0.47040 -0.46015 -0.45756 -0.45422 -0.45069 -0.44498 -0.44452 -0.44111 -0.43408 -0.42656 -0.42590 -0.42443 -0.41969 -0.41601 -0.40789 -0.40600 -0.40177 -0.39562 -0.39044 -0.38774 -0.37394 -0.37111 -0.34178 -0.33735 -0.33107 -0.31470 -0.30421 -0.28486 -0.27313 -0.27125 -0.05872 -0.05139 -0.03267 -0.02959 -0.01658 -0.01101 0.00065 0.00639 0.01049 0.01491 0.02041 0.02370 0.02947 0.03266 0.03722 0.03924 0.04166 0.04582 0.04830 0.05278 0.05389 0.06099 0.06279 0.06553 0.06842 0.07074 0.07308 0.07546 0.07935 0.08333 0.08456 0.08785 0.09422 0.09789 0.09975 0.10427 0.10655 0.10952 0.11109 0.11366 0.11714 0.12276 0.12434 0.12887 0.12994 0.13211 0.13424 0.13516 0.13752 0.14330 0.14489 0.14572 0.14672 0.15264 0.15317 0.15765 0.15803 0.16185 0.16426 0.16763 0.16955 0.17437 0.17547 0.17925 0.18064 0.18220 0.18608 0.18864 0.19188 0.19366 0.19492 0.20216 0.20325 0.20644 0.20912 0.21103 0.21447 0.21620 0.22116 0.22423 0.22581 0.23009 0.23162 0.23429 0.23604 0.23882 0.24326 0.24510 0.24702 0.25009 0.25233 0.25322 0.26157 0.26554 0.26946 0.27229 0.27558 0.27856 0.28193 0.28476 0.29051 0.29383 0.29440 0.29830 0.30278 0.30579 0.30945 0.31456 0.31866 0.32405 0.32464 0.32678 0.33091 0.33403 0.33648 0.33991 0.34296 0.34412 0.35099 0.35398 0.35583 0.35896 0.36217 0.36498 0.36771 0.36880 0.37053 0.37456 0.38066 0.38361 0.38579 0.38706 0.39041 0.39381 0.39913 0.40482 0.40745 0.41114 0.41758 0.42076 0.42128 0.42372 0.43254 0.43775 0.43994 0.44757 0.45770 0.46482 0.46893 0.47782 0.48547 0.48986 0.49562 0.50377 0.50428 0.50758 0.51526 0.52277 0.52836 0.53038 0.53744 0.54134 0.55041 0.55339 0.55717 0.56000 0.56290 0.56763 0.57338 0.57816 0.58295 0.58857 0.59664 0.60094 0.60932 0.61773 0.62254 0.62489 0.63482 0.63810 0.63992 0.64709 0.65052 0.65188 0.65913 0.66569 0.66647 0.66826 0.67127 0.68003 0.68349 0.69147 0.69441 0.70018 0.70431 0.71149 0.71685 0.72045 0.72299 0.73246 0.73949 0.74122 0.74716 0.75288 0.75413 0.76138 0.77336 0.77964 0.78861 0.78883 0.79965 0.80896 0.81665 0.82634 0.84370 0.85188 0.85856 0.86864 0.88421 0.88714 0.89818 0.90375 0.91033 0.91901 0.92078 0.93210 0.94201 0.94329 0.95113 0.95661 0.96764 0.97133 0.97899 0.98837 0.99688 1.00300 1.03518 1.04037 1.05526 1.06183 1.06889 1.07198 1.08004 1.08339 1.11328 1.11977 1.12203 1.13281 1.13622 1.14728 1.16114 1.16876 1.17541 1.20251 1.21866 1.23076 1.23893 1.25828 1.27301 1.29543 1.31128 1.32810 1.32883 1.33742 1.34105 1.35271 1.36255 1.37641 1.38207 1.38793 1.39335 1.40274 1.40456 1.40765 1.40911 1.41013 1.41590 1.41930 1.42446 1.43033 1.43615 1.43821 1.44429 1.45184 1.45414 1.45840 1.46633 1.47314 1.47686 1.48050 1.48177 1.49075 1.49437 1.50412 1.50767 1.51352 1.52115 1.52622 1.53291 1.54155 1.54634 1.55113 1.55557 1.55969 1.56857 1.57843 1.58070 1.59625 1.60775 1.61099 1.61761 1.62368 1.63130 1.63486 1.64179 1.65629 1.65944 1.66942 1.67109 1.67592 1.68533 1.68912 1.70043 1.70657 1.71006 1.72168 1.72495 1.73512 1.74676 1.76204 1.77198 1.77920 1.78252 1.79828 1.80904 1.81630 1.82249 1.82852 1.84128 1.84239 1.86079 1.86231 1.87811 1.88495 1.89709 1.90675 1.92884 1.93514 1.93669 1.94865 1.95965 1.96708 1.98056 2.00008 2.00574 2.01247 2.01866 2.02566 2.04833 2.05695 2.06952 2.07830 2.08047 2.08477 2.09897 2.11122 2.12070 2.13685 2.15482 2.15984 2.17443 2.18271 2.20183 2.20449 2.22802 2.23014 2.24017 2.25487 2.27952 2.29843 2.30628 2.31914 2.32886 2.34651 2.37201 2.37974 2.39230 2.40063 2.41690 2.42131 2.43484 2.45934 2.46984 2.47016 2.49193 2.50750 2.51446 2.53038 2.53464 2.53983 2.54018 2.54883 2.57456 2.58809 2.60235 2.60658 2.61367 2.64073 2.64303 2.64809 2.65854 2.67364 2.69535 2.70518 2.71160 2.72085 2.73876 2.74084 2.74870 2.77837 2.78732 2.80509 2.82777 2.84307 2.85025 2.86285 2.86599 2.88495 2.88846 2.89301 2.90764 2.92010 2.93123 2.96775 2.97512 2.98901 3.00394 3.02404 3.05012 3.06522 3.06732 3.06928 3.08619 3.09501 3.09880 3.11705 3.12764 3.16241 3.17317 3.18973 3.19991 3.20547 3.22274 3.24467 3.24979 3.33704 3.36778 3.39353 3.42610 3.43466 3.51337 3.55864 3.58390 3.62757 3.63243 3.66702 3.70117 3.70607 3.73630 3.74139 3.75111 3.75229 3.75425 3.75995 3.76083 3.76547 3.76683 3.76748 3.77554 3.78131 3.78583 3.79240 3.79729 3.80253 3.81421 3.82005 3.82756 3.82988 3.88349 3.89766 3.90496 3.91965 3.92956 3.93625 3.97026 3.97726 3.97997 3.99490 3.99791 4.03435 4.05840 4.10572 4.12750 4.14640 4.15885 4.17640 4.18019 4.19172 4.23577 4.29310 4.37440 4.52114 4.53802 4.68363 4.76902 4.79301 4.87871 4.90720 4.91615 4.91983 4.94808 5.05287 5.09295 5.26575 5.37900 5.64486 5.87891 6.28577 6.29302 6.29867 6.32213 6.33354 6.35463 6.35863 6.36514 6.37955 6.38682 6.40229 6.42037 6.45431 6.49844 6.52184 6.59890 6.71734 6.72274 6.74697 6.80466 6.83327 9.79954 23.40497 23.46253 23.60288 23.77799 23.78463 23.84600 23.85557 23.86515 23.88127 23.93795 23.94837 23.97333 23.97706 23.99299 24.02348 24.10171 24.18362 25.86162 26.16054 26.60670 49.90695 50.01610 66.73524 66.75123 66.76086 66.76487 66.79449 66.80778 66.84372 215.79746 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 Cl F F F F F F F O O C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H 0.419647 -0.071190 -0.072377 -0.154285 -0.184587 -0.184204 -0.198261 -0.196584 0.066420 -0.242774 0.187230 0.151843 -0.221196 -0.496741 -0.519853 -0.340187 -0.320870 -0.391742 0.185857 0.417305 0.673269 -0.518295 -0.270071 -0.557233 -0.491859 1.217204 -0.195197 0.191011 0.167043 0.128788 0.156001 0.158588 0.150481 0.170002 0.147304 0.147877 0.187450 0.189048 0.185440 0.165139 0.164565 -0.00000 3.8730 1.7233 2.0951 4.7285 -166.5349 -168.2058 -160.6364 -15.7899 -0.0215 0.2513 -1.4092 -3.0801 4.4893 -15.7899 -0.0215 0.2513 255.3264 -5.9583 12.5874 -29.9722 -9.5641 5.9033 7.4078 -17.9878 11.4326 -30.3570 -17545.2463 -2787.4595 -1299.8887 -452.1581 204.8179 148.3773 -5.7796 -16.7702 11.6281 -3558.1388 -3068.4782 -681.1107 -94.0347 -7.4061 26.6514 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-CIBELES2-315 VALENTIN 2023-05-13T00:00:00.000 0 Wavefunction Tefluthrin-trans/ CONF88 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1966.2508205 RMSD=3.172e-09 Dipole=-1.4785914,0.8962741,-0.686563 Quadrupole=-1.5846845,-1.6184966,3.2031811,11.2789685,3.2780598,-0.9663649 PG=C01 [X(C17H14Cl1F7O2)] 0 5.0132808997 -0.7133788202 1.8833043866 0 5.6086026969 -2.4503906414 -0.5834468151 0 6.8484136859 -0.668350767 -0.5836421669 0 5.2465675526 -0.8762786503 -2.039259573 0 -2.9097033805 -2.4290507939 0.4419272099 0 -3.9487452112 2.1815637147 0.4253531003 0 -6.0387414125 1.7049306801 -1.1971177786 0 -5.000503215 -2.9055097574 -1.1788621099 0 -1.0690020335 0.4656916336 0.5125028379 0 0.1834783875 0.8133812992 2.3563248314 0 2.0270712465 2.3269786834 0.2901107013 0 2.6086477794 0.9686420928 0.6400051192 0 1.1541673937 1.0827410563 0.1706495274 0 2.4115699898 3.0041391239 -1.0136556367 0 1.8170974291 3.3021408354 1.4336824182 0 3.5837624982 0.2838471692 -0.2136657413 0 0.0821195408 0.782347647 1.1522763161 0 4.6233148756 -0.4421373501 0.2010134363 0 -2.1962714788 0.1620642922 1.3753355261 0 5.5828215473 -1.1106931892 -0.7507361904 0 -3.3709738003 -0.1101491433 0.4865853379 0 -3.6732328584 -1.3956190029 0.0466166042 0 -4.195357123 0.9176266279 0.0374851918 0 -5.2740637887 0.6697278074 -0.7997384307 0 -4.7534291408 -1.6400093282 -0.7903065795 0 -5.5852282852 -0.6158522065 -1.235732048 0 -6.7480922754 -0.8833883993 -2.1511992591 0 2.7015871556 0.7859171286 1.7037666837 0 0.9311673781 0.7610191835 -0.8391724851 0 2.4912695973 2.308225319 -1.850429898 0 3.3724665401 3.5159893596 -0.9058298033 0 1.6588766948 3.7522914314 -1.2776172978 0 2.734314544 3.8757600479 1.595918625 0 1.5538326133 2.7990171493 2.3628482732 0 1.0179775661 4.0084026618 1.1873696744 0 3.4630663631 0.3673017015 -1.2872575215 0 -2.3834710553 1.0133558126 2.0294658709 0 -1.9525344058 -0.7053359454 1.988266307 0 -6.4280853794 -0.8415181041 -3.1968121371 0 -7.1605358412 -1.8756761372 -1.9690756234 0 -7.5288403572 -0.1363624424 -2.0104658324 Gaussian 16 13-May-2023 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 117 C1[X(C17H14ClF7O2)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td=(singlets,nstates=10) 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 0 404.62252239999975 AuxInfo=1/0/N:11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;2;3;4;5;6;7;8;9;10;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0F0F0F0F0F0F0F0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:5.0133,-.7134,1.8833;5.6086,-2.4504,-.5834;6.8484,-.6684,-.5836;5.2466,-.8763,-2.0393;-2.9097,-2.4291,.4419;-3.9487,2.1816,.4254;-6.0387,1.7049,-1.1971;-5.0005,-2.9055,-1.1789;-1.069,.4657,.5125;.1835,.8134,2.3563;2.0271,2.327,.2901;2.6086,.9686,.64;1.1542,1.0827,.1706;2.4116,3.0041,-1.0137;1.8171,3.3021,1.4337;3.5838,.2838,-.2137;.0821,.7823,1.1523;4.6233,-.4421,.201;-2.1963,.1621,1.3753;5.5828,-1.1107,-.7507;-3.371,-.1101,.4866;-3.6732,-1.3956,.0466;-4.1954,.9176,.0375;-5.2741,.6697,-.7997;-4.7534,-1.64,-.7903;-5.5852,-.6159,-1.2357;-6.7481,-.8834,-2.1512;2.7016,.7859,1.7038;.9312,.761,-.8392;2.4913,2.3082,-1.8504;3.3725,3.516,-.9058;1.6589,3.7523,-1.2776;2.7343,3.8758,1.5959;1.5538,2.799,2.3628;1.018,4.0084,1.1874;3.4631,.3673,-1.2873;-2.3835,1.0134,2.0295;-1.9525,-.7053,1.9883;-6.4281,-.8415,-3.1968;-7.1605,-1.8757,-1.9691;-7.5288,-.1364,-2.0105; oldchk=/home/valentin/Almacen/Insecticides/G3/Tefluthrin-trans/gaussian/gas/CON #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=9,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6/2 8/6=1,10=2,108=10/1 9/41=10,42=1,48=1,70=2/14 6/7=2,8=2,9=2,10=2/1 99/5=1,9=1/99 Electronic spectrum Tefluthrin-trans/ CONF88 gas Redundant internal coordinates found in file. (old form). 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 35 19 19 19 19 19 19 19 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 18.9984033 18.9984033 18.9984033 18.9984033 18.9984033 18.9984033 18.9984033 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 6.7500000 6.7500000 6.7500000 6.7500000 6.7500000 6.7500000 6.7500000 5.6000000 5.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 686 A 686 1101 713 106 106 2647.3235013992 41 41 41 1.00e+00 60 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 Grimme-D3 -0.0427867284 0.000000 3.075139 0.000000 3.074990 2.170898 0.000000 3.932870 2.174463 2.174389 0.000000 8.233758 8.579824 9.968586 8.665572 0.000000 9.530175 10.668438 11.212436 9.998925 4.726272 0.000000 11.725375 12.381596 13.118216 11.607327 5.437568 2.688434 0.000000 10.698513 10.635543 12.072945 10.481437 2.688013 5.436729 4.725932 0.000000 6.345350 7.368517 8.072983 6.942535 3.431136 3.353317 5.399706 5.448157 0.000000 5.087410 6.980433 7.433727 6.914549 4.872993 4.761916 7.220653 7.293926 2.255942 0.000000 4.549669 6.034379 5.742890 5.104114 6.856720 5.979115 8.225334 8.883897 3.619326 3.155797 0.000000 3.187044 4.710239 4.706663 4.188175 6.483498 6.672080 8.870991 8.730207 3.714071 2.975114 1.518465 0.000000 4.588245 5.735301 6.004975 5.046701 5.377855 5.226089 7.348186 7.457030 2.332401 2.406651 1.524585 1.532588 0.000000 5.383421 6.337033 5.775610 4.913931 7.743011 6.572746 8.551571 9.481038 4.570258 4.595713 1.518615 2.629959 2.583682 0.000000 5.151907 7.178854 6.719267 6.425090 7.494850 5.959644 8.437203 9.583318 4.150131 3.116714 1.517493 2.588763 2.638269 2.536073 0.000000 2.726768 3.422393 3.420747 2.728297 7.067865 7.794123 9.776463 9.208323 4.712601 4.295019 2.617530 1.465792 2.586283 3.068225 3.865871 0.000000 5.204609 6.633653 7.134471 6.293526 4.446198 4.328290 6.620857 6.698325 1.354497 1.208706 2.629078 2.584661 1.484289 3.879943 3.072246 3.791544 0.000000 1.748070 2.370496 2.370216 2.365533 7.794372 8.967405 10.965588 10.029463 5.772664 5.092528 3.796896 2.498379 3.789612 4.271306 4.838796 1.334047 4.798616 0.000000 7.280253 8.460367 9.291583 8.254300 2.845016 2.837606 4.874682 4.878284 1.451691 2.655139 4.868387 4.927325 3.677547 5.917505 5.096137 5.995711 2.371829 6.946283 0.000000 2.724042 1.350348 1.351041 1.352150 8.676606 10.152483 11.966107 10.742971 6.951800 6.519877 5.054138 3.886323 5.027234 5.201712 6.198828 2.495882 6.120685 1.507796 8.164213 0.000000 8.521176 9.341011 10.290425 9.012706 2.364756 2.364216 3.639554 3.639110 2.373044 4.121039 5.925967 6.078092 4.690384 6.737012 6.281465 7.000996 3.628161 8.006274 1.497966 9.094092 0.000000 8.904740 9.362798 10.565566 9.175153 1.344332 3.607712 4.093399 2.354403 3.234740 5.008858 6.812524 6.738239 5.427840 7.583329 7.357760 7.453344 4.479810 8.352585 2.524537 9.294703 1.391893 0.000000 9.532379 10.384928 11.174345 9.832645 3.607870 1.344915 2.354179 4.091960 3.194367 4.956015 6.385038 6.830821 5.353728 7.007847 6.617015 7.808934 4.422428 8.924387 2.521321 10.017392 1.391985 2.371456 0.000000 10.721062 11.323178 12.198017 10.705617 4.090766 2.354351 1.346955 3.605675 4.409779 6.306040 7.565767 8.018688 6.514168 8.035185 7.886846 8.885577 5.701907 10.009788 3.802825 11.002012 2.425817 2.746750 1.387806 0.000000 10.168356 10.395731 11.644294 10.106587 2.353787 4.090204 3.606404 1.346667 4.439177 6.347714 7.929658 7.940468 6.575447 8.541382 8.517206 8.575693 5.746649 9.504785 3.804804 10.349871 2.425306 1.388161 2.745576 2.367707 0.000000 11.048362 11.361904 12.450841 10.864680 3.641519 3.641815 2.364994 2.363825 4.962092 6.944318 8.302744 8.553866 7.091021 8.780799 8.790385 9.269545 6.306852 10.310614 4.348316 11.189523 2.850445 2.430675 2.429893 1.392706 1.392549 0.000000 12.435273 12.553934 13.688260 11.995184 4.883299 4.885581 2.848306 2.844026 6.416182 8.440585 9.657637 9.938281 8.467724 10.015303 10.184916 10.576564 7.767845 11.620521 5.852221 12.412268 4.354393 3.814123 3.814505 2.532070 2.530452 1.503964 0.000000 2.761168 4.914852 4.954120 4.821832 6.588994 6.914412 9.254894 9.014343 3.967240 2.601434 2.197331 1.083335 2.198422 3.519802 2.680793 2.169529 2.676895 2.731194 4.948341 4.233583 6.257832 6.938557 7.096596 8.360146 8.226955 8.903759 10.341363 0.000000 5.123415 5.679520 6.092799 4.769028 5.154615 5.237415 7.042636 6.981657 2.432061 3.282222 2.220026 2.246111 1.083039 2.693255 3.522505 2.766806 2.164995 4.020140 3.878617 5.014879 4.585301 5.161028 5.203298 6.206028 6.171059 6.672065 7.962193 3.098636 0.000000 5.425072 5.828159 5.426736 4.215257 7.541034 6.831473 8.576239 9.152087 4.653377 5.025659 2.190376 2.830288 2.715588 1.091256 3.496823 2.823233 4.141081 4.039620 6.081497 4.738779 6.758408 7.437630 7.085828 8.005562 8.318538 8.611498 9.779707 3.872205 2.418762 0.000000 5.325326 6.379806 5.449286 4.908048 8.753606 7.559952 9.588306 10.555417 5.571591 5.302395 2.157338 3.076037 3.464153 1.094047 2.817485 3.312172 4.747102 4.296102 6.889367 5.129904 7.782139 8.641350 8.056878 9.103568 9.624336 9.870220 11.105457 3.835801 3.681609 1.768466 0.000000 6.417606 7.386168 6.852370 5.905530 7.876405 6.067348 7.965644 9.417187 4.631154 4.900972 2.150548 3.511132 3.078751 1.093597 2.752965 4.106980 4.148628 5.344855 5.898310 6.270851 6.582572 7.529009 6.636028 7.602383 8.392380 8.459284 9.640010 4.333044 3.109583 1.762475 1.769309 0.000000 5.131907 7.282263 6.505785 6.489053 8.540332 6.993126 9.459390 10.654221 5.221836 4.057480 2.145705 3.062825 3.511298 2.770156 1.093914 4.110717 4.098799 4.915111 6.176639 6.203668 7.375136 8.440642 7.694129 8.952762 9.601255 9.869530 11.251952 3.091898 4.345414 3.793884 2.606802 3.070671 0.000000 4.953248 7.257968 6.981192 6.820751 7.137632 5.866302 8.456806 9.383211 3.968305 2.412605 2.177847 2.726004 2.812663 3.489780 1.088940 4.133415 2.774595 4.959872 4.689561 6.419735 6.019745 7.090988 6.480750 7.820230 8.332400 8.693521 10.141927 2.409212 3.846308 4.344120 3.808640 3.764672 1.772313 0.000000 6.224307 8.119461 7.681308 7.221649 7.577808 5.346620 7.796733 9.466961 4.166741 3.503000 2.156509 3.474188 3.100284 2.791981 1.094563 4.734814 3.359240 5.811941 5.016079 7.127356 6.059411 7.246532 6.168792 7.394940 8.314138 8.417689 9.766653 3.672277 3.828826 3.780135 3.188663 2.559786 1.769271 1.769606 0.000000 3.691002 3.610826 3.609464 2.300625 7.170904 7.820456 9.595922 9.074969 4.877342 4.922436 2.896637 2.192255 2.822829 2.851914 4.327356 1.083573 4.189796 2.053368 6.257765 2.639259 7.076622 7.470869 7.791614 8.755945 8.472724 9.101697 10.323681 3.114693 2.601212 2.242484 3.173000 3.835798 4.599246 4.783481 5.035857 0.000000 7.597033 9.093849 9.740850 8.851143 3.827187 2.527444 4.924441 5.700854 2.080611 2.595391 4.919740 5.182070 3.996861 6.017992 4.820609 6.416518 2.627159 7.386254 1.089783 8.700743 2.148931 3.376142 2.694454 4.059311 4.539622 4.854594 6.334471 5.100551 4.390853 6.363440 6.928921 5.897384 5.879885 4.336138 4.609695 6.752780 0.000000 6.966611 8.174945 9.169120 8.250894 2.505699 3.842102 5.714293 4.915443 2.080820 2.646605 5.283552 5.042261 4.019023 6.466618 5.529698 6.039666 2.655541 6.819482 1.089713 8.027954 2.149712 2.684641 3.386711 4.549322 4.054515 4.857843 6.337527 4.895470 4.296550 6.600343 7.385866 6.601419 6.565587 4.971460 5.628917 6.419372 1.772373 0.000000 12.519140 12.421755 13.532334 11.731950 5.304686 5.329750 3.261099 3.220276 6.647375 8.791405 9.679239 9.983005 8.516638 9.884066 10.324458 10.507269 7.995891 11.568845 6.310306 12.260409 4.842339 4.291395 4.305850 3.059672 3.038640 2.146432 1.094287 10.488810 7.892097 9.554503 10.967556 9.496597 11.365410 10.386257 9.908917 10.146060 6.863923 6.850850 0.000000 12.821606 12.856950 14.128968 12.447487 4.918204 5.701761 3.830808 2.520067 6.981907 8.937263 10.352698 10.504018 9.081021 10.786595 10.908091 11.098872 8.322499 12.067454 6.323084 12.824301 4.848519 4.056446 4.541047 3.377160 2.690576 2.146286 1.089915 10.855198 8.585133 10.520288 11.880433 10.484950 11.987338 10.796228 10.558106 10.879189 6.866963 6.644812 1.764456 0.000000 13.145311 13.415794 14.457672 12.796849 5.710261 4.911525 2.504454 3.840863 6.961131 8.913514 10.132924 10.536351 9.035381 10.472256 10.537173 11.264768 8.292990 12.355526 6.323686 13.208025 4.850135 4.547859 4.051803 2.683218 3.384176 2.146567 1.089689 10.922810 8.587721 10.315242 11.549822 10.003641 11.594632 10.499394 10.022641 11.027181 6.642118 6.885403 1.765311 1.778363 0.000000 C17H14ClF7O2 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 0 404.62252239999975 AuxInfo=1/0/N:11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;2;3;4;5;6;7;8;9;10;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0F0F0F0F0F0F0F0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.1384,-.2831,-1.6617;-5.5487,-2.7058,.1873;-6.7876,-1.0395,.821;-5.083,-1.6449,2.0275;2.8714,-2.1681,-1.3706;3.9024,2.2394,-.0108;6.1065,1.3388,1.2376;5.0762,-3.0679,-.1238;1.0264,.5644,-.4207;-.3585,1.43,-1.9769;-2.0476,2.1937,.577;-2.6514,.9943,-.1319;-1.1665,.9938,.2476;-2.3363,2.4297,2.0492;-1.9235,3.4769,-.2234;-3.5603,.0579,.5357;-.169,1.0342,-.8507;-4.6264,-.5308,-.0087;2.0877,.5666,-1.4111;-5.5126,-1.4814,.7558;3.3249,.0634,-.7327;3.6604,-1.2874,-.731;4.1786,.9236,-.048;5.3161,.4571,.5956;4.7995,-1.7505,-.0867;5.6603,-.8924,.5929;6.8876,-1.3996,1.2989;-2.8219,1.1439,-1.1912;-.8696,.3837,1.0918;-2.3534,1.5092,2.6351;-3.3033,2.9268,2.1707;-1.5673,3.0788,2.4773;-2.8509,4.0506,-.1375;-1.7284,3.2889,-1.2781;-1.1094,4.0927,.1719;-3.3612,-.1886,1.5719;2.2252,1.5815,-1.7835;1.8009,-.077,-2.2424;6.6451,-1.6876,2.3264;7.2869,-2.2783,.7926;7.6548,-.627,1.3406; 0.3026686 0.0600597 0.0556297 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 NBasis= 686 RedAO= T EigKep= 1.26D-06 NBF= 686 NBsUse= 685 1.00D-06 EigRej= 9.37D-07 NBFU= 685 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= 680 680 680 680 680 MxSgAt= 41 MxSgA2= 41. 1 Closed 1 1 1 -1966.25082048330 -1966.25082048 1 1.960017880060e+03 -9.933083370443e+03 3.359533955229e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245691381 LenY= 4245182299 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. 1 Singlet-A 5.0516 245.44 0.0234 0.000 104 109 -0.30571 105 107 0.60796 105 108 -0.12737 -1966.06517792 2 Singlet-A 5.4084 229.24 0.1670 0.000 106 107 0.69720 3 Singlet-A 5.5188 224.66 0.0619 0.000 103 107 0.10503 103 108 0.29294 103 111 0.21487 104 107 0.18410 104 108 0.33855 104 111 0.17242 106 108 0.34534 106 111 0.11073 4 Singlet-A 5.6267 220.35 0.3499 0.000 103 108 -0.17724 103 111 -0.13029 104 108 -0.24090 104 111 -0.11381 105 108 0.19783 106 108 0.54315 106 111 0.12803 5 Singlet-A 5.6338 220.07 0.0263 0.000 104 108 0.10819 105 107 0.14921 105 108 0.63190 105 110 -0.14550 106 108 -0.13090 6 Singlet-A 5.6720 218.59 0.0002 0.000 105 108 0.14132 105 110 0.68156 7 Singlet-A 5.7643 215.09 0.1229 0.000 103 107 0.10965 104 107 0.60324 104 108 -0.10609 105 109 0.25570 106 108 -0.13390 8 Singlet-A 6.0013 206.59 0.0031 0.000 103 110 -0.10377 104 110 0.50397 106 110 0.34655 106 111 0.14401 106 112 0.22954 106 113 0.11368 9 Singlet-A 6.0365 205.39 0.0066 0.000 104 110 -0.35734 106 111 0.25657 106 112 0.45203 106 113 0.23959 10 Singlet-A 6.0635 204.48 0.0012 0.000 102 108 -0.12564 103 107 -0.25182 103 108 -0.19345 103 111 -0.20429 104 108 0.48158 104 111 -0.11520 106 109 0.13611 106 112 0.16860 PT43892.700S 2023-05-13T03:21:34.000 -101.57566 -24.72847 -24.72587 -24.72528 -24.72352 -24.72315 -24.72120 -24.72115 -19.19001 -19.12970 -10.44758 -10.32249 -10.30079 -10.30079 -10.29725 -10.29704 -10.26606 -10.26298 -10.23639 -10.23267 -10.22795 -10.22400 -10.21697 -10.21658 -10.20170 -10.18719 -10.17672 -9.49007 -7.25494 -7.24472 -7.24444 -1.33117 -1.27249 -1.27176 -1.25840 -1.25785 -1.24468 -1.23949 -1.12953 -1.04301 -0.92156 -0.92017 -0.90166 -0.84255 -0.80377 -0.79099 -0.78382 -0.76293 -0.74254 -0.71867 -0.71381 -0.67632 -0.67234 -0.65513 -0.63674 -0.61243 -0.60840 -0.60339 -0.59130 -0.58658 -0.58512 -0.57428 -0.56608 -0.55864 -0.53611 -0.53100 -0.52844 -0.51175 -0.50458 -0.49728 -0.49461 -0.48964 -0.48713 -0.48395 -0.48377 -0.48075 -0.47040 -0.46015 -0.45756 -0.45422 -0.45069 -0.44497 -0.44452 -0.44111 -0.43408 -0.42656 -0.42590 -0.42443 -0.41969 -0.41601 -0.40789 -0.40600 -0.40177 -0.39562 -0.39044 -0.38774 -0.37394 -0.37111 -0.34178 -0.33735 -0.33107 -0.31470 -0.30421 -0.28486 -0.27313 -0.27125 -0.05872 -0.05139 -0.03267 -0.02959 -0.01658 -0.01101 0.00065 0.00639 0.01049 0.01491 0.02041 0.02370 0.02947 0.03266 0.03722 0.03924 0.04166 0.04582 0.04830 0.05278 0.05389 0.06099 0.06279 0.06553 0.06842 0.07074 0.07308 0.07546 0.07935 0.08333 0.08456 0.08785 0.09422 0.09789 0.09975 0.10427 0.10655 0.10952 0.11109 0.11366 0.11714 0.12276 0.12434 0.12887 0.12994 0.13211 0.13424 0.13516 0.13752 0.14330 0.14489 0.14572 0.14672 0.15264 0.15317 0.15765 0.15803 0.16185 0.16426 0.16763 0.16955 0.17437 0.17547 0.17925 0.18064 0.18220 0.18608 0.18864 0.19188 0.19366 0.19492 0.20216 0.20325 0.20644 0.20912 0.21103 0.21447 0.21620 0.22116 0.22423 0.22581 0.23009 0.23162 0.23429 0.23604 0.23882 0.24326 0.24510 0.24702 0.25009 0.25233 0.25322 0.26157 0.26554 0.26946 0.27229 0.27558 0.27856 0.28193 0.28476 0.29051 0.29383 0.29440 0.29830 0.30278 0.30579 0.30945 0.31456 0.31866 0.32405 0.32464 0.32678 0.33091 0.33403 0.33648 0.33991 0.34296 0.34412 0.35099 0.35398 0.35583 0.35896 0.36217 0.36498 0.36771 0.36880 0.37053 0.37456 0.38066 0.38361 0.38579 0.38706 0.39041 0.39381 0.39913 0.40482 0.40745 0.41114 0.41758 0.42076 0.42128 0.42372 0.43254 0.43775 0.43994 0.44757 0.45770 0.46482 0.46893 0.47782 0.48547 0.48986 0.49562 0.50377 0.50428 0.50758 0.51526 0.52277 0.52836 0.53038 0.53744 0.54134 0.55041 0.55339 0.55717 0.56000 0.56290 0.56763 0.57338 0.57816 0.58295 0.58857 0.59664 0.60094 0.60932 0.61773 0.62254 0.62489 0.63482 0.63810 0.63992 0.64709 0.65052 0.65188 0.65913 0.66569 0.66647 0.66826 0.67127 0.68003 0.68349 0.69147 0.69441 0.70018 0.70431 0.71149 0.71685 0.72045 0.72299 0.73246 0.73949 0.74122 0.74716 0.75288 0.75413 0.76138 0.77336 0.77964 0.78861 0.78883 0.79965 0.80896 0.81665 0.82634 0.84370 0.85188 0.85856 0.86864 0.88421 0.88714 0.89818 0.90375 0.91033 0.91901 0.92078 0.93210 0.94201 0.94329 0.95113 0.95661 0.96764 0.97133 0.97899 0.98837 0.99688 1.00300 1.03518 1.04037 1.05526 1.06183 1.06889 1.07198 1.08004 1.08339 1.11328 1.11977 1.12203 1.13281 1.13622 1.14728 1.16114 1.16876 1.17541 1.20251 1.21866 1.23076 1.23893 1.25828 1.27301 1.29543 1.31128 1.32810 1.32883 1.33742 1.34105 1.35271 1.36255 1.37641 1.38207 1.38793 1.39335 1.40274 1.40456 1.40765 1.40911 1.41013 1.41590 1.41930 1.42446 1.43033 1.43615 1.43821 1.44429 1.45184 1.45414 1.45840 1.46633 1.47314 1.47686 1.48050 1.48177 1.49075 1.49437 1.50412 1.50767 1.51352 1.52115 1.52622 1.53291 1.54155 1.54634 1.55113 1.55557 1.55969 1.56857 1.57843 1.58070 1.59625 1.60775 1.61099 1.61761 1.62368 1.63130 1.63486 1.64179 1.65629 1.65944 1.66942 1.67109 1.67592 1.68533 1.68912 1.70043 1.70657 1.71006 1.72168 1.72495 1.73512 1.74676 1.76204 1.77198 1.77920 1.78252 1.79828 1.80904 1.81630 1.82249 1.82852 1.84128 1.84239 1.86079 1.86231 1.87811 1.88495 1.89709 1.90675 1.92884 1.93514 1.93669 1.94865 1.95965 1.96708 1.98056 2.00008 2.00574 2.01247 2.01866 2.02566 2.04833 2.05695 2.06952 2.07830 2.08047 2.08477 2.09897 2.11122 2.12070 2.13685 2.15482 2.15984 2.17443 2.18271 2.20183 2.20449 2.22802 2.23014 2.24017 2.25487 2.27952 2.29843 2.30628 2.31914 2.32886 2.34651 2.37201 2.37974 2.39230 2.40063 2.41690 2.42131 2.43484 2.45934 2.46984 2.47016 2.49193 2.50750 2.51446 2.53038 2.53464 2.53983 2.54018 2.54883 2.57456 2.58809 2.60235 2.60658 2.61367 2.64073 2.64303 2.64809 2.65854 2.67364 2.69534 2.70518 2.71160 2.72085 2.73876 2.74084 2.74870 2.77837 2.78732 2.80509 2.82777 2.84307 2.85025 2.86285 2.86599 2.88495 2.88846 2.89301 2.90764 2.92010 2.93123 2.96775 2.97512 2.98901 3.00394 3.02404 3.05012 3.06522 3.06732 3.06928 3.08619 3.09501 3.09880 3.11705 3.12764 3.16241 3.17317 3.18973 3.19991 3.20547 3.22274 3.24467 3.24979 3.33704 3.36778 3.39353 3.42610 3.43466 3.51337 3.55864 3.58390 3.62757 3.63243 3.66702 3.70117 3.70607 3.73630 3.74139 3.75111 3.75229 3.75425 3.75995 3.76083 3.76547 3.76683 3.76748 3.77554 3.78131 3.78583 3.79240 3.79729 3.80253 3.81421 3.82005 3.82756 3.82988 3.88349 3.89766 3.90496 3.91965 3.92956 3.93625 3.97026 3.97726 3.97997 3.99490 3.99791 4.03435 4.05840 4.10572 4.12750 4.14640 4.15885 4.17640 4.18019 4.19172 4.23577 4.29310 4.37440 4.52114 4.53802 4.68363 4.76902 4.79301 4.87871 4.90720 4.91615 4.91983 4.94808 5.05287 5.09295 5.26575 5.37900 5.64486 5.87891 6.28577 6.29302 6.29867 6.32213 6.33354 6.35463 6.35863 6.36514 6.37955 6.38682 6.40229 6.42037 6.45431 6.49844 6.52184 6.59890 6.71734 6.72274 6.74697 6.80466 6.83327 9.79954 23.40497 23.46253 23.60288 23.77799 23.78463 23.84600 23.85557 23.86515 23.88127 23.93795 23.94837 23.97333 23.97706 23.99299 24.02348 24.10171 24.18362 25.86162 26.16054 26.60670 49.90695 50.01610 66.73524 66.75123 66.76086 66.76487 66.79449 66.80778 66.84372 215.79746 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 Cl F F F F F F F O O C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H 0.419647 -0.071190 -0.072377 -0.154285 -0.184587 -0.184204 -0.198261 -0.196584 0.066420 -0.242774 0.187230 0.151843 -0.221196 -0.496741 -0.519853 -0.340187 -0.320870 -0.391743 0.185857 0.417305 0.673268 -0.518295 -0.270071 -0.557233 -0.491859 1.217204 -0.195197 0.191011 0.167043 0.128788 0.156001 0.158588 0.150481 0.170002 0.147304 0.147877 0.187450 0.189048 0.185440 0.165139 0.164565 -0.00000 3.8730 1.7233 2.0951 4.7285 -166.5349 -168.2058 -160.6364 -15.7899 -0.0215 0.2513 -1.4092 -3.0801 4.4893 -15.7899 -0.0215 0.2513 255.3266 -5.9583 12.5874 -29.9722 -9.5641 5.9033 7.4078 -17.9878 11.4326 -30.3570 -17545.2462 -2787.4596 -1299.8887 -452.1584 204.8179 148.3773 -5.7796 -16.7702 11.6281 -3558.1388 -3068.4783 -681.1107 -94.0347 -7.4061 26.6514 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-CIBELES2-315 VALENTIN 2023-05-13T00:00:00.000 0 Electronic spectrum Tefluthrin-trans/ CONF88 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1966.2508205 RMSD=5.229e-09 PG=C01 [X(C17H14Cl1F7O2)] 0 5.0132808997 -0.7133788202 1.8833043866 0 5.6086026969 -2.4503906414 -0.5834468151 0 6.8484136859 -0.668350767 -0.5836421669 0 5.2465675526 -0.8762786503 -2.039259573 0 -2.9097033805 -2.4290507939 0.4419272099 0 -3.9487452112 2.1815637147 0.4253531003 0 -6.0387414125 1.7049306801 -1.1971177786 0 -5.000503215 -2.9055097574 -1.1788621099 0 -1.0690020335 0.4656916336 0.5125028379 0 0.1834783875 0.8133812992 2.3563248314 0 2.0270712465 2.3269786834 0.2901107013 0 2.6086477794 0.9686420928 0.6400051192 0 1.1541673937 1.0827410563 0.1706495274 0 2.4115699898 3.0041391239 -1.0136556367 0 1.8170974291 3.3021408354 1.4336824182 0 3.5837624982 0.2838471692 -0.2136657413 0 0.0821195408 0.782347647 1.1522763161 0 4.6233148756 -0.4421373501 0.2010134363 0 -2.1962714788 0.1620642922 1.3753355261 0 5.5828215473 -1.1106931892 -0.7507361904 0 -3.3709738003 -0.1101491433 0.4865853379 0 -3.6732328584 -1.3956190029 0.0466166042 0 -4.195357123 0.9176266279 0.0374851918 0 -5.2740637887 0.6697278074 -0.7997384307 0 -4.7534291408 -1.6400093282 -0.7903065795 0 -5.5852282852 -0.6158522065 -1.235732048 0 -6.7480922754 -0.8833883993 -2.1511992591 0 2.7015871556 0.7859171286 1.7037666837 0 0.9311673781 0.7610191835 -0.8391724851 0 2.4912695973 2.308225319 -1.850429898 0 3.3724665401 3.5159893596 -0.9058298033 0 1.6588766948 3.7522914314 -1.2776172978 0 2.734314544 3.8757600479 1.595918625 0 1.5538326133 2.7990171493 2.3628482732 0 1.0179775661 4.0084026618 1.1873696744 0 3.4630663631 0.3673017015 -1.2872575215 0 -2.3834710553 1.0133558126 2.0294658709 0 -1.9525344058 -0.7053359454 1.988266307 0 -6.4280853794 -0.8415181041 -3.1968121371 0 -7.1605358412 -1.8756761372 -1.9690756234 0 -7.5288403572 -0.1363624424 -2.0104658324 Gaussian 16 13-May-2023 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 117 C1[X(C17H14ClF7O2)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 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 0 404.62252239999975 AuxInfo=1/0/N:11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;2;3;4;5;6;7;8;9;10;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0F0F0F0F0F0F0F0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:5.0133,-.7134,1.8833;5.6086,-2.4504,-.5834;6.8484,-.6684,-.5836;5.2466,-.8763,-2.0393;-2.9097,-2.4291,.4419;-3.9487,2.1816,.4254;-6.0387,1.7049,-1.1971;-5.0005,-2.9055,-1.1789;-1.069,.4657,.5125;.1835,.8134,2.3563;2.0271,2.327,.2901;2.6086,.9686,.64;1.1542,1.0827,.1706;2.4116,3.0041,-1.0137;1.8171,3.3021,1.4337;3.5838,.2838,-.2137;.0821,.7823,1.1523;4.6233,-.4421,.201;-2.1963,.1621,1.3753;5.5828,-1.1107,-.7507;-3.371,-.1101,.4866;-3.6732,-1.3956,.0466;-4.1954,.9176,.0375;-5.2741,.6697,-.7997;-4.7534,-1.64,-.7903;-5.5852,-.6159,-1.2357;-6.7481,-.8834,-2.1512;2.7016,.7859,1.7038;.9312,.761,-.8392;2.4913,2.3082,-1.8504;3.3725,3.516,-.9058;1.6589,3.7523,-1.2776;2.7343,3.8758,1.5959;1.5538,2.799,2.3628;1.018,4.0084,1.1874;3.4631,.3673,-1.2873;-2.3835,1.0134,2.0295;-1.9525,-.7053,1.9883;-6.4281,-.8415,-3.1968;-7.1605,-1.8757,-1.9691;-7.5288,-.1364,-2.0105; oldchk=/home/valentin/Almacen/Insecticides/G3/Tefluthrin-trans/gaussian/gas/CON #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point Tefluthrin-trans/ CONF88 gas Redundant internal coordinates found in file. (old form). 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 35 19 19 19 19 19 19 19 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 18.9984033 18.9984033 18.9984033 18.9984033 18.9984033 18.9984033 18.9984033 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 6.7500000 6.7500000 6.7500000 6.7500000 6.7500000 6.7500000 6.7500000 5.6000000 5.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1349 A 1187 A 1187 1737 1349 106 106 2647.3235013992 41 41 41 1.00e+00 60 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 Grimme-D3 -0.0427867284 0.000000 3.075139 0.000000 3.074990 2.170898 0.000000 3.932870 2.174463 2.174389 0.000000 8.233758 8.579824 9.968586 8.665572 0.000000 9.530175 10.668438 11.212436 9.998925 4.726272 0.000000 11.725375 12.381596 13.118216 11.607327 5.437568 2.688434 0.000000 10.698513 10.635543 12.072945 10.481437 2.688013 5.436729 4.725932 0.000000 6.345350 7.368517 8.072983 6.942535 3.431136 3.353317 5.399706 5.448157 0.000000 5.087410 6.980433 7.433727 6.914549 4.872993 4.761916 7.220653 7.293926 2.255942 0.000000 4.549669 6.034379 5.742890 5.104114 6.856720 5.979115 8.225334 8.883897 3.619326 3.155797 0.000000 3.187044 4.710239 4.706663 4.188175 6.483498 6.672080 8.870991 8.730207 3.714071 2.975114 1.518465 0.000000 4.588245 5.735301 6.004975 5.046701 5.377855 5.226089 7.348186 7.457030 2.332401 2.406651 1.524585 1.532588 0.000000 5.383421 6.337033 5.775610 4.913931 7.743011 6.572746 8.551571 9.481038 4.570258 4.595713 1.518615 2.629959 2.583682 0.000000 5.151907 7.178854 6.719267 6.425090 7.494850 5.959644 8.437203 9.583318 4.150131 3.116714 1.517493 2.588763 2.638269 2.536073 0.000000 2.726768 3.422393 3.420747 2.728297 7.067865 7.794123 9.776463 9.208323 4.712601 4.295019 2.617530 1.465792 2.586283 3.068225 3.865871 0.000000 5.204609 6.633653 7.134471 6.293526 4.446198 4.328290 6.620857 6.698325 1.354497 1.208706 2.629078 2.584661 1.484289 3.879943 3.072246 3.791544 0.000000 1.748070 2.370496 2.370216 2.365533 7.794372 8.967405 10.965588 10.029463 5.772664 5.092528 3.796896 2.498379 3.789612 4.271306 4.838796 1.334047 4.798616 0.000000 7.280253 8.460367 9.291583 8.254300 2.845016 2.837606 4.874682 4.878284 1.451691 2.655139 4.868387 4.927325 3.677547 5.917505 5.096137 5.995711 2.371829 6.946283 0.000000 2.724042 1.350348 1.351041 1.352150 8.676606 10.152483 11.966107 10.742971 6.951800 6.519877 5.054138 3.886323 5.027234 5.201712 6.198828 2.495882 6.120685 1.507796 8.164213 0.000000 8.521176 9.341011 10.290425 9.012706 2.364756 2.364216 3.639554 3.639110 2.373044 4.121039 5.925967 6.078092 4.690384 6.737012 6.281465 7.000996 3.628161 8.006274 1.497966 9.094092 0.000000 8.904740 9.362798 10.565566 9.175153 1.344332 3.607712 4.093399 2.354403 3.234740 5.008858 6.812524 6.738239 5.427840 7.583329 7.357760 7.453344 4.479810 8.352585 2.524537 9.294703 1.391893 0.000000 9.532379 10.384928 11.174345 9.832645 3.607870 1.344915 2.354179 4.091960 3.194367 4.956015 6.385038 6.830821 5.353728 7.007847 6.617015 7.808934 4.422428 8.924387 2.521321 10.017392 1.391985 2.371456 0.000000 10.721062 11.323178 12.198017 10.705617 4.090766 2.354351 1.346955 3.605675 4.409779 6.306040 7.565767 8.018688 6.514168 8.035185 7.886846 8.885577 5.701907 10.009788 3.802825 11.002012 2.425817 2.746750 1.387806 0.000000 10.168356 10.395731 11.644294 10.106587 2.353787 4.090204 3.606404 1.346667 4.439177 6.347714 7.929658 7.940468 6.575447 8.541382 8.517206 8.575693 5.746649 9.504785 3.804804 10.349871 2.425306 1.388161 2.745576 2.367707 0.000000 11.048362 11.361904 12.450841 10.864680 3.641519 3.641815 2.364994 2.363825 4.962092 6.944318 8.302744 8.553866 7.091021 8.780799 8.790385 9.269545 6.306852 10.310614 4.348316 11.189523 2.850445 2.430675 2.429893 1.392706 1.392549 0.000000 12.435273 12.553934 13.688260 11.995184 4.883299 4.885581 2.848306 2.844026 6.416182 8.440585 9.657637 9.938281 8.467724 10.015303 10.184916 10.576564 7.767845 11.620521 5.852221 12.412268 4.354393 3.814123 3.814505 2.532070 2.530452 1.503964 0.000000 2.761168 4.914852 4.954120 4.821832 6.588994 6.914412 9.254894 9.014343 3.967240 2.601434 2.197331 1.083335 2.198422 3.519802 2.680793 2.169529 2.676895 2.731194 4.948341 4.233583 6.257832 6.938557 7.096596 8.360146 8.226955 8.903759 10.341363 0.000000 5.123415 5.679520 6.092799 4.769028 5.154615 5.237415 7.042636 6.981657 2.432061 3.282222 2.220026 2.246111 1.083039 2.693255 3.522505 2.766806 2.164995 4.020140 3.878617 5.014879 4.585301 5.161028 5.203298 6.206028 6.171059 6.672065 7.962193 3.098636 0.000000 5.425072 5.828159 5.426736 4.215257 7.541034 6.831473 8.576239 9.152087 4.653377 5.025659 2.190376 2.830288 2.715588 1.091256 3.496823 2.823233 4.141081 4.039620 6.081497 4.738779 6.758408 7.437630 7.085828 8.005562 8.318538 8.611498 9.779707 3.872205 2.418762 0.000000 5.325326 6.379806 5.449286 4.908048 8.753606 7.559952 9.588306 10.555417 5.571591 5.302395 2.157338 3.076037 3.464153 1.094047 2.817485 3.312172 4.747102 4.296102 6.889367 5.129904 7.782139 8.641350 8.056878 9.103568 9.624336 9.870220 11.105457 3.835801 3.681609 1.768466 0.000000 6.417606 7.386168 6.852370 5.905530 7.876405 6.067348 7.965644 9.417187 4.631154 4.900972 2.150548 3.511132 3.078751 1.093597 2.752965 4.106980 4.148628 5.344855 5.898310 6.270851 6.582572 7.529009 6.636028 7.602383 8.392380 8.459284 9.640010 4.333044 3.109583 1.762475 1.769309 0.000000 5.131907 7.282263 6.505785 6.489053 8.540332 6.993126 9.459390 10.654221 5.221836 4.057480 2.145705 3.062825 3.511298 2.770156 1.093914 4.110717 4.098799 4.915111 6.176639 6.203668 7.375136 8.440642 7.694129 8.952762 9.601255 9.869530 11.251952 3.091898 4.345414 3.793884 2.606802 3.070671 0.000000 4.953248 7.257968 6.981192 6.820751 7.137632 5.866302 8.456806 9.383211 3.968305 2.412605 2.177847 2.726004 2.812663 3.489780 1.088940 4.133415 2.774595 4.959872 4.689561 6.419735 6.019745 7.090988 6.480750 7.820230 8.332400 8.693521 10.141927 2.409212 3.846308 4.344120 3.808640 3.764672 1.772313 0.000000 6.224307 8.119461 7.681308 7.221649 7.577808 5.346620 7.796733 9.466961 4.166741 3.503000 2.156509 3.474188 3.100284 2.791981 1.094563 4.734814 3.359240 5.811941 5.016079 7.127356 6.059411 7.246532 6.168792 7.394940 8.314138 8.417689 9.766653 3.672277 3.828826 3.780135 3.188663 2.559786 1.769271 1.769606 0.000000 3.691002 3.610826 3.609464 2.300625 7.170904 7.820456 9.595922 9.074969 4.877342 4.922436 2.896637 2.192255 2.822829 2.851914 4.327356 1.083573 4.189796 2.053368 6.257765 2.639259 7.076622 7.470869 7.791614 8.755945 8.472724 9.101697 10.323681 3.114693 2.601212 2.242484 3.173000 3.835798 4.599246 4.783481 5.035857 0.000000 7.597033 9.093849 9.740850 8.851143 3.827187 2.527444 4.924441 5.700854 2.080611 2.595391 4.919740 5.182070 3.996861 6.017992 4.820609 6.416518 2.627159 7.386254 1.089783 8.700743 2.148931 3.376142 2.694454 4.059311 4.539622 4.854594 6.334471 5.100551 4.390853 6.363440 6.928921 5.897384 5.879885 4.336138 4.609695 6.752780 0.000000 6.966611 8.174945 9.169120 8.250894 2.505699 3.842102 5.714293 4.915443 2.080820 2.646605 5.283552 5.042261 4.019023 6.466618 5.529698 6.039666 2.655541 6.819482 1.089713 8.027954 2.149712 2.684641 3.386711 4.549322 4.054515 4.857843 6.337527 4.895470 4.296550 6.600343 7.385866 6.601419 6.565587 4.971460 5.628917 6.419372 1.772373 0.000000 12.519140 12.421755 13.532334 11.731950 5.304686 5.329750 3.261099 3.220276 6.647375 8.791405 9.679239 9.983005 8.516638 9.884066 10.324458 10.507269 7.995891 11.568845 6.310306 12.260409 4.842339 4.291395 4.305850 3.059672 3.038640 2.146432 1.094287 10.488810 7.892097 9.554503 10.967556 9.496597 11.365410 10.386257 9.908917 10.146060 6.863923 6.850850 0.000000 12.821606 12.856950 14.128968 12.447487 4.918204 5.701761 3.830808 2.520067 6.981907 8.937263 10.352698 10.504018 9.081021 10.786595 10.908091 11.098872 8.322499 12.067454 6.323084 12.824301 4.848519 4.056446 4.541047 3.377160 2.690576 2.146286 1.089915 10.855198 8.585133 10.520288 11.880433 10.484950 11.987338 10.796228 10.558106 10.879189 6.866963 6.644812 1.764456 0.000000 13.145311 13.415794 14.457672 12.796849 5.710261 4.911525 2.504454 3.840863 6.961131 8.913514 10.132924 10.536351 9.035381 10.472256 10.537173 11.264768 8.292990 12.355526 6.323686 13.208025 4.850135 4.547859 4.051803 2.683218 3.384176 2.146567 1.089689 10.922810 8.587721 10.315242 11.549822 10.003641 11.594632 10.499394 10.022641 11.027181 6.642118 6.885403 1.765311 1.778363 0.000000 C17H14ClF7O2 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 0 404.62252239999975 AuxInfo=1/0/N:11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;2;3;4;5;6;7;8;9;10;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0F0F0F0F0F0F0F0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.1384,-.2831,-1.6617;-5.5487,-2.7058,.1873;-6.7876,-1.0395,.821;-5.083,-1.6449,2.0275;2.8714,-2.1681,-1.3706;3.9024,2.2394,-.0108;6.1065,1.3388,1.2376;5.0762,-3.0679,-.1238;1.0264,.5644,-.4207;-.3585,1.43,-1.9769;-2.0476,2.1937,.577;-2.6514,.9943,-.1319;-1.1665,.9938,.2476;-2.3363,2.4297,2.0492;-1.9235,3.4769,-.2234;-3.5603,.0579,.5357;-.169,1.0342,-.8507;-4.6264,-.5308,-.0087;2.0877,.5666,-1.4111;-5.5126,-1.4814,.7558;3.3249,.0634,-.7327;3.6604,-1.2874,-.731;4.1786,.9236,-.048;5.3161,.4571,.5956;4.7995,-1.7505,-.0867;5.6603,-.8924,.5929;6.8876,-1.3996,1.2989;-2.8219,1.1439,-1.1912;-.8696,.3837,1.0918;-2.3534,1.5092,2.6351;-3.3033,2.9268,2.1707;-1.5673,3.0788,2.4773;-2.8509,4.0506,-.1375;-1.7284,3.2889,-1.2781;-1.1094,4.0927,.1719;-3.3612,-.1886,1.5719;2.2252,1.5815,-1.7835;1.8009,-.077,-2.2424;6.6451,-1.6876,2.3264;7.2869,-2.2783,.7926;7.6548,-.627,1.3406; 0.3026686 0.0600597 0.0556297 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 NBasis= 1187 RedAO= T EigKep= 1.16D-06 NBF= 1187 NBsUse= 1183 1.00D-06 EigRej= 9.93D-07 NBFU= 1183 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= 1267 1267 1267 1267 1267 MxSgAt= 41 MxSgA2= 41. 1 Closed 1 1 1 -1966.25451882796 -1966.30463891503 -0.050120087076 -1966.35447332823 -0.049834413201 -1966.35556409886 -0.001090770628 -1966.35571018926 -0.000146090393 -1966.35571650704 -0.000006317781 -1966.35571854599 -0.000002038953 -1966.35571861914 -0.000000073152 -1966.35571863504 -0.000000015897 -1966.35571863592 -0.000000000878 -1966.35571863579 0.000000000129 -1966.35571863582 -0.000000000029 -1966.35571864 12 1.959503031461e+03 -9.933404387947e+03 3.360264923179e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4243048841 LenY= 4241227691 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. PT40337.800S 2023-05-13T03:49:37.000 -101.57277 -24.72590 -24.72418 -24.72363 -24.72204 -24.72169 -24.71917 -24.71915 -19.18850 -19.12692 -10.44212 -10.31820 -10.29592 -10.29589 -10.29248 -10.29228 -10.26252 -10.25904 -10.23227 -10.22808 -10.22585 -10.22082 -10.21435 -10.21390 -10.19876 -10.18508 -10.17456 -9.48721 -7.25132 -7.24231 -7.24197 -1.32482 -1.26793 -1.26719 -1.25387 -1.25338 -1.23963 -1.23484 -1.12459 -1.03814 -0.91780 -0.91529 -0.89763 -0.83827 -0.80032 -0.78651 -0.78027 -0.76046 -0.73916 -0.71553 -0.71170 -0.67298 -0.66872 -0.65129 -0.63316 -0.60865 -0.60483 -0.59937 -0.58814 -0.58367 -0.58228 -0.57155 -0.56314 -0.55529 -0.53306 -0.52879 -0.52611 -0.51010 -0.50224 -0.49484 -0.49231 -0.48784 -0.48487 -0.48234 -0.48162 -0.47849 -0.46804 -0.45819 -0.45579 -0.45114 -0.44902 -0.44316 -0.44246 -0.43893 -0.43158 -0.42475 -0.42437 -0.42234 -0.41746 -0.41333 -0.40582 -0.40328 -0.39968 -0.39340 -0.38878 -0.38543 -0.37157 -0.36935 -0.34040 -0.33537 -0.32944 -0.31324 -0.30219 -0.28207 -0.26980 -0.26940 -0.05642 -0.05009 -0.02954 -0.02816 -0.01478 -0.01072 -0.00012 0.00663 0.01028 0.01452 0.01971 0.02331 0.02965 0.03239 0.03644 0.03836 0.04146 0.04508 0.04786 0.05223 0.05365 0.06062 0.06222 0.06522 0.06734 0.07004 0.07311 0.07458 0.07865 0.08296 0.08379 0.08679 0.09359 0.09794 0.09909 0.10529 0.10714 0.10930 0.11000 0.11208 0.11652 0.12172 0.12225 0.12695 0.12756 0.12997 0.13213 0.13306 0.13633 0.14171 0.14282 0.14432 0.14734 0.14953 0.15306 0.15394 0.15803 0.16045 0.16300 0.16506 0.16814 0.17257 0.17322 0.17619 0.17849 0.18000 0.18342 0.18506 0.18843 0.18952 0.19114 0.19696 0.19912 0.20346 0.20573 0.20656 0.20971 0.21301 0.21650 0.21901 0.22247 0.22430 0.22693 0.23016 0.23415 0.23520 0.23861 0.24081 0.24232 0.24625 0.24846 0.24983 0.25186 0.25691 0.26021 0.26228 0.26877 0.26973 0.27288 0.27881 0.28008 0.28374 0.28861 0.29328 0.29524 0.29876 0.29906 0.30367 0.30683 0.30872 0.31007 0.31323 0.31933 0.32032 0.32120 0.32323 0.32490 0.32903 0.33290 0.33654 0.33783 0.33989 0.34106 0.34203 0.34803 0.35043 0.35219 0.35506 0.35820 0.36046 0.36410 0.36603 0.36930 0.37079 0.37237 0.37854 0.38046 0.38484 0.38697 0.38792 0.39003 0.39144 0.39450 0.39564 0.40086 0.40253 0.40348 0.40865 0.40971 0.41544 0.41715 0.42096 0.42685 0.42852 0.43216 0.43745 0.43999 0.44748 0.44866 0.44997 0.45427 0.45955 0.46068 0.46276 0.46477 0.47232 0.47344 0.48054 0.48586 0.48697 0.49529 0.49690 0.49871 0.50022 0.50272 0.50871 0.51240 0.52213 0.52295 0.52844 0.53187 0.53442 0.53694 0.53899 0.54102 0.54534 0.54798 0.55352 0.55956 0.56016 0.56285 0.56424 0.57056 0.57471 0.57818 0.58090 0.58753 0.58964 0.59292 0.60006 0.60219 0.60727 0.61031 0.61305 0.61569 0.62023 0.62322 0.62587 0.63032 0.63384 0.63612 0.63896 0.64267 0.65296 0.65428 0.65531 0.65839 0.66300 0.66775 0.67080 0.67844 0.68228 0.68690 0.69271 0.69762 0.70190 0.70795 0.71104 0.71460 0.71798 0.72289 0.72718 0.73313 0.73806 0.74193 0.74763 0.75454 0.75950 0.76245 0.76758 0.77032 0.77338 0.78008 0.78303 0.78621 0.79379 0.79548 0.79918 0.80901 0.81099 0.81759 0.82331 0.82918 0.82983 0.83842 0.83957 0.84819 0.85041 0.85886 0.86670 0.87244 0.87802 0.88474 0.89369 0.90135 0.90682 0.91047 0.91615 0.92777 0.93336 0.93686 0.94105 0.95184 0.95774 0.96406 0.97073 0.97654 0.98532 0.98567 0.98752 0.99574 0.99815 1.01111 1.02202 1.02516 1.03092 1.03931 1.04087 1.05108 1.05669 1.05859 1.07093 1.08212 1.08947 1.09177 1.09668 1.09963 1.10301 1.10546 1.11106 1.11328 1.12001 1.12313 1.13176 1.13854 1.14462 1.14784 1.15502 1.16018 1.16162 1.16480 1.16875 1.17312 1.17894 1.18402 1.18594 1.19246 1.19423 1.20052 1.20157 1.20652 1.21264 1.21793 1.21844 1.22807 1.22995 1.23310 1.23448 1.24080 1.24357 1.25180 1.25354 1.26099 1.26165 1.26952 1.27373 1.27512 1.27847 1.28070 1.28477 1.29283 1.29612 1.29687 1.29948 1.30612 1.31049 1.31261 1.31475 1.31680 1.31719 1.31948 1.32630 1.33206 1.33435 1.33487 1.34206 1.34324 1.34764 1.35219 1.35560 1.35737 1.36335 1.36483 1.36634 1.37484 1.37783 1.38053 1.38518 1.38801 1.38951 1.39374 1.39624 1.39912 1.40330 1.40663 1.40720 1.41402 1.41845 1.42058 1.42687 1.42860 1.43023 1.43460 1.43642 1.43858 1.44119 1.44868 1.44982 1.45460 1.46366 1.47049 1.47141 1.48014 1.48199 1.48481 1.49165 1.49557 1.49839 1.50541 1.51019 1.51386 1.52067 1.52886 1.53508 1.53768 1.54619 1.54992 1.55114 1.55587 1.56427 1.56731 1.57007 1.57479 1.58045 1.58618 1.59188 1.59572 1.60215 1.61412 1.61867 1.62311 1.63658 1.64124 1.64377 1.65220 1.65365 1.66113 1.66852 1.67588 1.68193 1.68363 1.69085 1.70253 1.70607 1.70688 1.71017 1.71540 1.72555 1.73117 1.73503 1.74395 1.76460 1.77063 1.78110 1.78190 1.78513 1.79880 1.81989 1.82185 1.83323 1.83860 1.84580 1.85036 1.85362 1.86192 1.86677 1.87414 1.89009 1.89194 1.89978 1.90763 1.91714 1.92808 1.92935 1.93332 1.94130 1.95228 1.95386 1.96563 1.98426 1.99817 2.01175 2.01453 2.01890 2.03318 2.04160 2.04484 2.05487 2.05851 2.06291 2.06642 2.07419 2.07812 2.09160 2.09665 2.10556 2.10989 2.11314 2.12179 2.12876 2.13540 2.14729 2.16687 2.17134 2.18251 2.18966 2.19855 2.21645 2.22458 2.23068 2.23490 2.23635 2.24238 2.24937 2.25064 2.26096 2.27133 2.27876 2.29194 2.30212 2.31379 2.31462 2.31923 2.33605 2.34185 2.34885 2.36016 2.36975 2.37208 2.38099 2.39760 2.40790 2.42371 2.43733 2.44155 2.45212 2.47658 2.50020 2.50969 2.51119 2.52362 2.54084 2.55164 2.55876 2.57545 2.59902 2.61387 2.63000 2.64450 2.64898 2.65551 2.67279 2.67597 2.67804 2.69076 2.72183 2.73380 2.73929 2.75844 2.75962 2.76901 2.78480 2.78642 2.79688 2.80085 2.80954 2.81779 2.82984 2.83701 2.83982 2.84211 2.84892 2.86060 2.87826 2.88619 2.89771 2.90035 2.90549 2.91074 2.91738 2.92341 2.92799 2.93596 2.93890 2.94350 2.96159 2.96681 2.97560 2.97829 2.98379 2.98969 2.99447 3.00673 3.01769 3.02333 3.03128 3.03815 3.04348 3.05500 3.05595 3.06268 3.07147 3.07925 3.08851 3.10268 3.11573 3.12113 3.12500 3.12828 3.13800 3.15260 3.16725 3.17659 3.18495 3.18928 3.19989 3.20305 3.20823 3.21391 3.21656 3.21910 3.22821 3.23360 3.24914 3.25212 3.25854 3.26240 3.26653 3.26819 3.27182 3.28225 3.28921 3.30250 3.31214 3.31971 3.32888 3.33388 3.34335 3.35147 3.36846 3.37312 3.38254 3.39933 3.40263 3.40896 3.42134 3.43290 3.43552 3.44560 3.44740 3.46151 3.47626 3.48361 3.49128 3.49464 3.50317 3.51074 3.53158 3.54884 3.55251 3.55949 3.56704 3.58770 3.59274 3.59822 3.59983 3.61669 3.62415 3.62667 3.63107 3.64203 3.65656 3.66093 3.67098 3.67749 3.69319 3.70034 3.71099 3.71671 3.73555 3.74889 3.75456 3.75800 3.78666 3.78718 3.80525 3.81550 3.82670 3.84598 3.84834 3.85772 3.86853 3.87136 3.89505 3.91298 3.92039 3.94528 3.95108 3.96920 3.98852 3.99753 4.01859 4.02896 4.03461 4.03895 4.10381 4.12307 4.13658 4.15190 4.16643 4.17034 4.18106 4.18673 4.19508 4.20927 4.23306 4.24684 4.25927 4.28322 4.28555 4.30880 4.31277 4.31835 4.32213 4.32508 4.32749 4.33608 4.34944 4.35739 4.36004 4.36597 4.37111 4.37735 4.38500 4.39019 4.41369 4.43245 4.43435 4.45587 4.46929 4.47367 4.47980 4.48390 4.49617 4.50683 4.52932 4.54182 4.54826 4.55715 4.56624 4.57707 4.60865 4.61307 4.62179 4.63130 4.63614 4.64197 4.65166 4.66507 4.66907 4.67449 4.67644 4.68011 4.69531 4.70159 4.70497 4.71177 4.71466 4.71705 4.72525 4.73229 4.73407 4.73798 4.74157 4.74228 4.74789 4.75022 4.75969 4.77413 4.77463 4.78023 4.78870 4.79994 4.80545 4.81142 4.82694 4.83287 4.84385 4.85218 4.88186 4.89258 4.90302 4.91283 4.92247 4.94550 4.96160 4.98371 5.00301 5.00827 5.03599 5.07540 5.10834 5.14671 5.15510 5.15744 5.16162 5.18953 5.19572 5.19707 5.21347 5.22718 5.23741 5.26808 5.27424 5.28294 5.30037 5.31031 5.32103 5.35380 5.36205 5.39704 5.42769 5.45252 5.46482 5.52930 5.53878 5.56920 5.59306 5.62585 5.63682 5.64221 5.69309 5.71251 5.72951 5.74448 5.74825 5.75796 5.77005 5.77753 5.81460 5.82465 5.83741 5.84993 5.88797 5.91304 5.92602 5.95561 5.99177 6.00896 6.12834 6.35182 6.37300 6.37459 6.37735 6.39611 6.42291 6.45012 6.49046 6.50187 6.51270 6.51665 6.52525 6.52976 6.57919 6.58163 6.59247 6.59672 6.60006 6.60526 6.60719 6.60738 6.60802 6.61003 6.61386 6.62167 6.62342 6.62820 6.64380 6.66172 6.68296 6.68910 6.69543 6.69731 6.69814 6.71171 6.72141 6.72758 6.73680 6.73743 6.75077 6.75174 6.77418 6.77490 6.80299 6.80789 6.81883 6.82976 6.83938 6.85735 6.86666 6.87699 6.88461 6.90767 6.91728 6.92884 6.94671 6.95071 6.98317 7.00444 7.01847 7.04218 7.07476 7.08792 7.13188 7.15288 7.17186 7.17609 7.18758 7.19942 7.23256 7.23979 7.24491 7.24709 7.26070 7.26402 7.27113 7.28728 7.28971 7.30462 7.30762 7.31247 7.33349 7.35931 7.38243 7.40051 7.40792 7.41956 7.44711 7.45402 7.45585 7.46800 7.47061 7.49116 7.49936 7.50109 7.53844 7.54099 7.55167 7.55217 7.55667 7.59782 7.62030 7.63894 7.64142 7.66274 7.66537 7.67111 7.67976 7.68893 7.69263 7.69409 7.70527 7.72272 7.73910 7.76436 7.78745 7.79077 7.80456 7.81314 7.82685 7.87495 7.90203 7.91745 7.94948 7.95201 7.99126 8.00367 8.00614 8.01591 8.05996 8.06604 8.08844 8.09248 8.10711 8.11148 8.11476 8.12754 8.13946 8.20943 8.22165 8.28140 8.31799 8.34228 8.35185 8.40111 8.41710 8.42161 8.51457 8.60225 8.65169 8.68600 8.72385 8.73719 8.82654 8.90920 8.95674 9.01756 9.08108 9.10159 9.12589 9.36975 10.08419 14.41275 14.42671 14.45335 14.47487 14.55662 14.68845 14.79900 14.97128 15.07079 15.23361 19.28033 19.28283 19.29972 19.30349 19.30690 19.32047 19.32775 19.33337 19.34008 19.34232 19.34888 19.35004 19.35561 19.35844 19.36251 19.36314 19.37160 19.38099 19.39479 19.39631 19.41027 19.43461 19.43590 19.44917 19.45570 19.47264 19.50030 19.51907 19.62070 19.66806 19.69972 19.79267 19.79518 19.84735 19.85284 24.07555 24.20180 24.30802 24.41871 24.42606 24.43546 24.44474 24.56209 24.65851 24.74727 24.94861 24.99366 25.13416 25.35546 25.37979 25.72110 25.74915 26.06722 26.75108 28.24914 50.23338 50.49716 66.96374 66.97043 66.99407 67.01758 67.03232 67.04429 67.04693 216.09873 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 Cl F F F F F F F O O C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H -0.376001 -0.442094 -0.442781 -0.518781 -0.558946 -0.560670 -0.554542 -0.551669 -0.460578 -0.726559 0.315178 0.174384 -0.342961 -0.452563 -0.515335 0.424288 0.626937 -0.398240 0.107933 1.381348 0.754646 0.003031 0.064008 0.097584 0.125483 0.957488 -0.326439 0.164020 0.130743 0.150068 0.152135 0.148182 0.141322 0.178263 0.148430 0.159618 0.168607 0.163077 0.177936 0.156935 0.156515 -0.00000 3.7454 1.5987 2.1193 4.5908 -165.0938 -166.7425 -160.0435 -14.9751 -0.1108 0.5162 -1.1339 -2.7826 3.9164 -14.9751 -0.1108 0.5162 242.3215 -9.4020 12.7458 -28.1662 -10.0540 6.2040 6.9461 -18.4728 10.9719 -28.7564 -17417.4041 -2768.7660 -1295.5049 -412.4966 190.6730 153.5244 -4.2075 -21.2629 10.9320 -3523.1070 -3056.2773 -678.0663 -85.5467 -7.9937 30.5277 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-CIBELES2-315 VALENTIN 2023-05-13T00:00:00.000 0 Single Point Tefluthrin-trans/ CONF88 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1966.3557186 RMSD=4.109e-09 Dipole=-1.4267191,0.8526107,-0.7068944 Quadrupole=-1.3456303,-1.3447242,2.6903546,10.7220791,3.0816686,-0.978257 PG=C01 [X(C17H14Cl1F7O2)] 0 5.0132808997 -0.7133788202 1.8833043866 0 5.6086026969 -2.4503906414 -0.5834468151 0 6.8484136859 -0.668350767 -0.5836421669 0 5.2465675526 -0.8762786503 -2.039259573 0 -2.9097033805 -2.4290507939 0.4419272099 0 -3.9487452112 2.1815637147 0.4253531003 0 -6.0387414125 1.7049306801 -1.1971177786 0 -5.000503215 -2.9055097574 -1.1788621099 0 -1.0690020335 0.4656916336 0.5125028379 0 0.1834783875 0.8133812992 2.3563248314 0 2.0270712465 2.3269786834 0.2901107013 0 2.6086477794 0.9686420928 0.6400051192 0 1.1541673937 1.0827410563 0.1706495274 0 2.4115699898 3.0041391239 -1.0136556367 0 1.8170974291 3.3021408354 1.4336824182 0 3.5837624982 0.2838471692 -0.2136657413 0 0.0821195408 0.782347647 1.1522763161 0 4.6233148756 -0.4421373501 0.2010134363 0 -2.1962714788 0.1620642922 1.3753355261 0 5.5828215473 -1.1106931892 -0.7507361904 0 -3.3709738003 -0.1101491433 0.4865853379 0 -3.6732328584 -1.3956190029 0.0466166042 0 -4.195357123 0.9176266279 0.0374851918 0 -5.2740637887 0.6697278074 -0.7997384307 0 -4.7534291408 -1.6400093282 -0.7903065795 0 -5.5852282852 -0.6158522065 -1.235732048 0 -6.7480922754 -0.8833883993 -2.1511992591 0 2.7015871556 0.7859171286 1.7037666837 0 0.9311673781 0.7610191835 -0.8391724851 0 2.4912695973 2.308225319 -1.850429898 0 3.3724665401 3.5159893596 -0.9058298033 0 1.6588766948 3.7522914314 -1.2776172978 0 2.734314544 3.8757600479 1.595918625 0 1.5538326133 2.7990171493 2.3628482732 0 1.0179775661 4.0084026618 1.1873696744 0 3.4630663631 0.3673017015 -1.2872575215 0 -2.3834710553 1.0133558126 2.0294658709 0 -1.9525344058 -0.7053359454 1.988266307 0 -6.4280853794 -0.8415181041 -3.1968121371 0 -7.1605358412 -1.8756761372 -1.9690756234 0 -7.5288403572 -0.1363624424 -2.0104658324