Gaussian 16 GINC-CIBELES19 PAULAPLA Optimization fenbuconazole CONF2 gas EM64L-G16RevC.01 12-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 41 41 88 88 638 (5D, 7F) 6-311+G(d,p) 117 117 C1[X(C19H17ClN4)] C1[X(C19H17ClN4)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 319.6830999999998 0 1 AuxInfo=1/0/N:20,17,18,13,14,15,16,21,22,10,7,12,8,23,19,11,9,24,6,1,5,4,3,2/E:(2,3)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,12.2,14.3,15.3,16.3,17.3,18.3,21.1,22.2,23.2/rA:41ClNN2N2N1CCCC3CC3C2C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;s2;;;;s6;s2s6;s6;s7;s10;s5s6;s9;s9;s11;s11;s13;s14;s2s4;s17s18;s15;s16;s3s4;s1s21s22;s7;s7;s8;s8;s10;s10;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/paulapla/opt-b3lyp-pople.com-2512711/Gau-20899.inp" -scrdir="/temporal/paulapla/opt-b3lyp-pople.com-2512711/" chk=/home/paulapla/almacen/ADAMA/censo_results/fenbuconazole/gas/CONF2/opt-b3ly #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 fenbuconazole CONF2 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 14 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 14.0030740 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 2 2 2 2 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 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 R43 1 2 2 2 3 4 4 5 6 6 6 6 7 7 7 8 8 9 9 10 10 10 11 11 13 13 14 14 15 15 16 16 17 17 18 18 19 20 21 21 22 22 23 24 3 8 19 23 19 23 12 7 8 9 12 10 25 26 27 28 13 14 11 29 30 15 16 17 31 18 32 21 33 22 34 20 35 20 36 37 38 24 39 24 40 41 1.7288 1.3373 1.4339 1.3447 1.3086 1.3065 1.3503 1.1503 1.5469 1.5534 1.5227 1.4656 1.5326 1.0937 1.0925 1.0917 1.089 1.3883 1.3908 1.5034 1.0927 1.0929 1.3895 1.3907 1.3877 1.0826 1.3827 1.0822 1.3847 1.083 1.3852 1.0844 1.3838 1.0819 1.3874 1.0816 1.0794 1.0818 1.3849 1.0809 1.3853 1.0813 1.0784 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 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 3 3 8 2 19 7 7 7 8 8 9 6 6 6 10 10 25 2 2 2 6 6 27 6 6 13 7 7 7 11 11 29 10 10 15 9 9 17 9 9 18 11 11 21 11 11 22 13 13 20 14 14 20 2 2 4 17 17 18 15 15 24 16 16 24 3 3 4 1 1 21 2 2 2 3 4 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 10 10 10 10 10 10 11 11 11 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 8 19 19 23 23 8 9 12 9 12 12 10 25 26 25 26 26 6 27 28 27 28 28 13 14 14 11 29 30 29 30 30 15 16 16 17 31 31 18 32 32 21 33 33 22 34 34 20 35 35 20 36 36 4 37 37 18 38 38 24 39 39 24 40 40 4 41 41 21 22 22 120.5889 109.5992 129.6578 102.7054 102.7769 107.4028 114.8149 106.8354 109.4671 107.2197 110.7763 116.6573 107.36 108.4496 108.2 109.7093 105.9246 113.4024 109.6169 106.9889 109.859 108.76 108.0391 121.4907 119.6931 118.7573 114.0855 109.7949 107.0622 110.3531 109.4008 105.7608 121.3261 120.367 118.2456 120.5757 120.5861 118.8365 120.7092 120.6748 118.6077 121.2575 119.7282 118.995 121.3451 119.7954 118.8575 120.2638 119.465 120.2708 120.2144 119.6056 120.1793 110.0381 123.4412 126.5203 119.4435 120.3864 120.1697 119.2796 120.3768 120.3386 119.1293 120.6063 120.2641 114.8788 121.7917 123.328 119.6545 119.647 120.6982 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 A72 A73 5 5 12 12 6 6 4 4 -1 -2 180.701 estimate D2E/DX2|estimate D2E/DX2 177.1368 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 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 8 19 3 3 3 19 19 19 3 3 8 8 2 2 23 23 19 19 8 8 8 9 9 9 12 12 12 7 7 7 9 9 9 12 12 12 7 7 8 8 12 12 6 6 6 25 25 25 26 26 26 6 6 14 14 6 6 13 13 7 7 29 29 30 30 10 10 16 16 10 10 15 15 9 9 31 31 9 9 32 32 11 11 33 33 11 11 34 34 13 13 35 35 14 14 36 36 15 15 39 39 16 16 40 40 2 2 2 2 2 2 2 2 2 2 2 2 3 3 4 4 4 4 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 11 11 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 21 21 21 21 22 22 22 22 3 3 8 8 8 8 8 8 19 19 19 19 23 23 19 19 23 23 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 13 13 13 13 14 14 14 14 11 11 11 11 11 11 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 21 21 21 21 22 22 22 22 20 20 20 20 20 20 20 20 24 24 24 24 24 24 24 24 23 23 6 27 28 6 27 28 4 37 4 37 4 41 2 37 3 41 10 25 26 10 25 26 10 25 26 2 27 28 2 27 28 2 27 28 13 14 13 14 13 14 11 29 30 11 29 30 11 29 30 17 31 17 31 18 32 18 32 15 16 15 16 15 16 21 33 21 33 22 34 22 34 20 35 20 35 20 36 20 36 24 39 24 39 24 40 24 40 18 38 18 38 17 38 17 38 1 22 1 22 1 21 1 21 176.1933 0.2876 -97.4743 139.3493 22.4362 77.5135 -45.6628 -162.576 -0.4307 179.7843 -175.8516 4.3634 -0.0616 179.5136 0.362 -179.8613 -0.1882 -179.756 173.3715 51.8311 -62.2065 -64.6431 173.8166 59.779 58.6017 -62.9386 -176.9762 175.1032 -61.8537 56.2062 49.8439 172.887 -69.0531 -70.3836 52.6595 170.7195 137.0959 -45.7309 -102.0449 75.1282 15.9847 -166.8421 71.5237 -52.9335 -167.2915 -167.3787 68.1641 -46.1939 -52.2549 -176.7121 68.9299 178.7192 -1.774 1.5202 -178.9729 -179.4497 1.6196 -2.1993 178.87 -101.4455 75.6573 22.7127 -160.1844 138.6759 -44.2213 174.9637 -3.4206 -2.1987 179.4169 -175.3105 4.1616 1.8802 -178.6477 0.1262 179.8804 -179.3892 0.365 1.232 -178.4667 -179.8155 0.4857 0.7439 -178.4447 179.1399 -0.0488 -0.1121 179.7044 -179.589 0.2275 -1.1191 179.0893 179.1286 -0.663 0.4456 -179.7623 -179.8573 -0.0653 -178.712 1.096 0.477 -179.7151 178.403 -1.4049 -1.4141 178.778 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|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 662 A 638 A 1017 662 2166.8224765629 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= 638 RedAO= T EigKep= 1.01D-06 NBF= 638 NBsUse= 635 1.00D-06 EigRej= 8.19D-07 NBFU= 635 Berny optimization. local minimum Step number 16 out of a maximum of 231 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00120 0.00289 0.00556 0.00906 0.01071 0.01269 0.01475 0.01656 0.01812 0.01888 0.02201 0.02250 0.02252 0.02260 0.02266 0.02270 0.02275 0.02281 0.02285 0.02286 0.02288 0.02294 0.02307 0.02320 0.02435 0.02587 0.02611 0.02705 0.03640 0.03975 0.04452 0.04676 0.04818 0.05325 0.05535 0.05595 0.07028 0.07641 0.07982 0.08734 0.09118 0.09602 0.09783 0.12753 0.12976 0.13437 0.15840 0.15969 0.15990 0.15992 0.15998 0.16000 0.16000 0.16002 0.16002 0.16015 0.16031 0.18981 0.20054 0.20826 0.21973 0.22008 0.22067 0.22240 0.23051 0.23180 0.23504 0.23647 0.24619 0.24999 0.25137 0.27194 0.27621 0.27902 0.29210 0.29755 0.30540 0.32195 0.34042 0.34405 0.34507 0.34574 0.34609 0.34679 0.35005 0.35483 0.35664 0.35724 0.35771 0.35793 0.35812 0.35816 0.35845 0.35907 0.36094 0.36285 0.36455 0.41169 0.43318 0.43343 0.43406 0.43517 0.46992 0.47566 0.47666 0.47895 0.48099 0.48153 0.48291 0.48308 0.49564 0.52254 0.54588 0.58048 0.61624 0.66389 1.34271 -6.50457573e-08 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 R43 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 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 3.32632 2.57109 2.73744 2.56107 2.49631 2.49291 2.57584 2.17891 2.95150 2.96405 2.90156 2.77973 2.91825 2.06865 2.06505 2.06347 2.05781 2.63602 2.64083 2.85790 2.06623 2.06849 2.63819 2.64214 2.63487 2.04719 2.62543 2.04600 2.63016 2.04839 2.62985 2.05183 2.62850 2.04837 2.63481 2.04764 2.03918 2.04804 2.62669 2.04485 2.62901 2.04574 2.03914 2.10252 1.90987 2.26766 1.78909 1.79545 1.86955 2.00053 1.86793 1.91129 1.87444 1.93489 2.03548 1.87088 1.88644 1.89167 1.91129 1.86028 1.98380 1.90795 1.85803 1.91670 1.89448 1.90058 2.11973 2.08862 2.07402 1.99305 1.91163 1.86773 1.92496 1.90560 1.85498 2.11874 2.09824 2.06488 2.10422 2.09762 2.08130 2.10584 2.10328 2.07389 2.11615 2.08860 2.07774 2.11772 2.08907 2.07628 2.09821 2.08564 2.09932 2.09819 2.08782 2.09716 1.92332 2.14718 2.21267 2.08537 2.10082 2.09699 2.07824 2.10762 2.09713 2.07545 2.11125 2.09646 2.00701 2.12368 2.15248 2.08523 2.08486 2.11308 3.15099 3.09624 3.07183 0.00723 -1.74672 2.38825 0.33793 1.30014 -0.84807 -2.89840 -0.00841 3.12659 -3.06344 0.07156 -0.00398 3.13225 0.00553 -3.12917 -0.00086 -3.13700 3.04415 0.92132 -1.07784 -1.11490 3.04545 1.04629 1.03826 -1.08457 -3.08374 3.05226 -1.08751 0.98849 0.87300 3.01641 -1.19077 -1.22939 0.91402 2.99002 2.34914 -0.83634 -1.83287 1.26484 0.23230 -2.95318 1.29018 -0.87833 -2.88216 -2.88113 1.23354 -0.77029 -0.85821 -3.02672 1.25264 3.12242 -0.02916 0.02436 -3.12722 -3.13410 0.02847 -0.03525 3.12732 -1.81568 1.26976 0.34569 -2.85206 2.37781 -0.81994 3.04836 -0.05286 -0.03812 -3.13933 -3.05236 0.07267 0.03479 -3.12337 0.00143 3.13769 -3.13026 0.00600 0.02035 -3.11458 3.14132 0.00638 0.00991 -3.11047 3.11137 -0.00901 -0.00330 3.13090 -3.12845 0.00576 -0.01673 3.12532 3.13024 -0.01090 0.00592 -3.13612 3.14082 -0.00123 -3.11223 0.02296 0.00828 -3.13971 3.10902 -0.02618 -0.02525 3.12274 0.00003 0.00002 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00002 0.00001 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00002 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 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 -0.00001 0.00000 0.00001 -0.00001 0.00001 0.00000 -0.00001 0.00000 -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 0.00001 -0.00000 -0.00000 0.00001 0.00001 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 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 -0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00001 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 -0.00001 -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 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00001 -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 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -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 0.00001 0.00000 0.00001 0.00000 -0.00000 -0.00002 -0.00002 -0.00001 -0.00002 -0.00005 -0.00001 -0.00000 -0.00006 -0.00005 -0.00007 -0.00003 -0.00004 -0.00001 -0.00001 -0.00001 -0.00002 -0.00004 -0.00003 -0.00007 0.00000 -0.00002 -0.00003 -0.00003 -0.00004 -0.00000 -0.00002 -0.00000 -0.00003 -0.00001 -0.00004 -0.00001 -0.00003 -0.00001 -0.00003 -0.00001 -0.00001 -0.00001 -0.00004 0.00000 -0.00004 -0.00000 -0.00001 -0.00004 0.00007 -0.00003 -0.00012 -0.00007 0.00001 -0.00003 0.00004 0.00004 -0.00001 -0.00005 -0.00008 0.00004 -0.00007 0.00007 -0.00000 0.00005 -0.00006 0.00001 -0.00003 0.00003 -0.00000 0.00005 -0.00002 -0.00001 0.00003 -0.00007 0.00005 -0.00001 0.00002 -0.00003 0.00004 -0.00001 -0.00000 0.00002 -0.00002 -0.00001 0.00002 -0.00002 -0.00000 0.00002 -0.00001 0.00001 0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00001 0.00002 -0.00000 -0.00001 0.00001 0.00000 0.00013 -0.00007 -0.00006 -0.00001 -0.00002 0.00003 0.00000 0.00002 -0.00000 0.00003 -0.00001 -0.00002 -0.00007 -0.00005 -0.00006 -0.00011 -0.00005 -0.00005 -0.00001 -0.00001 -0.00001 -0.00002 0.00004 0.00004 -0.00002 -0.00001 -0.00031 -0.00037 -0.00042 -0.00027 -0.00034 -0.00039 -0.00032 -0.00039 -0.00044 -0.00029 -0.00029 -0.00021 -0.00028 -0.00028 -0.00020 -0.00023 -0.00024 -0.00016 -0.00012 -0.00014 -0.00009 -0.00012 -0.00011 -0.00014 0.00004 0.00002 -0.00004 0.00009 0.00007 0.00001 0.00019 0.00017 0.00011 -0.00004 -0.00010 -0.00002 -0.00007 0.00005 0.00003 0.00003 0.00001 -0.00001 0.00001 0.00002 0.00004 0.00006 0.00009 0.00008 0.00005 0.00006 0.00003 -0.00009 -0.00007 -0.00006 -0.00005 -0.00000 -0.00003 0.00005 0.00002 -0.00001 -0.00008 0.00001 -0.00006 -0.00001 -0.00010 0.00002 -0.00007 0.00002 0.00006 0.00001 0.00004 0.00002 0.00005 0.00005 0.00008 -0.00001 -0.00005 0.00006 0.00002 -0.00013 -0.00004 -0.00004 0.00006 0.00013 0.00003 0.00009 -0.00000 0.00011 0.00005 0.00003 -0.00002 0.00001 0.00004 -0.00000 0.00000 0.00010 0.00007 0.00007 0.00001 0.00002 0.00000 -0.00000 -0.00000 0.00001 0.00004 0.00003 0.00011 -0.00001 0.00001 0.00001 0.00003 0.00003 0.00001 0.00003 0.00000 0.00005 0.00001 0.00004 0.00001 0.00003 0.00001 0.00003 0.00001 0.00001 0.00001 0.00002 -0.00001 0.00004 -0.00000 0.00002 0.00004 -0.00007 0.00004 0.00011 0.00007 0.00002 -0.00002 0.00005 -0.00002 -0.00004 0.00001 0.00005 0.00002 0.00005 -0.00002 -0.00003 -0.00008 0.00007 -0.00002 0.00004 -0.00008 0.00001 -0.00002 -0.00001 0.00005 -0.00004 0.00008 0.00000 0.00007 -0.00005 -0.00005 -0.00005 0.00002 -0.00001 -0.00001 0.00003 -0.00000 -0.00003 0.00002 0.00002 -0.00004 0.00001 -0.00001 -0.00000 0.00001 -0.00002 0.00000 -0.00000 0.00001 -0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00002 0.00002 -0.00001 0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00002 0.00001 0.00000 -0.00012 0.00006 0.00006 0.00000 -0.00002 0.00001 0.00007 -0.00012 0.00016 0.00004 0.00020 0.00027 0.00028 0.00034 0.00041 0.00042 -0.00006 0.00001 -0.00019 -0.00013 -0.00001 -0.00001 0.00005 -0.00002 -0.00002 -0.00002 0.00013 0.00010 0.00016 0.00011 0.00008 0.00015 0.00015 0.00012 0.00018 -0.00014 -0.00017 -0.00024 -0.00012 -0.00015 -0.00022 -0.00010 -0.00013 -0.00019 0.00009 0.00024 0.00010 0.00025 0.00004 0.00019 -0.00005 -0.00004 -0.00001 -0.00000 0.00001 0.00003 -0.00012 -0.00011 -0.00009 0.00019 0.00018 0.00004 0.00003 -0.00017 -0.00008 -0.00003 0.00006 -0.00013 -0.00008 -0.00011 -0.00007 -0.00023 -0.00019 0.00008 0.00023 0.00004 0.00019 -0.00009 -0.00019 -0.00005 -0.00015 -0.00002 -0.00004 -0.00002 -0.00003 0.00000 0.00003 -0.00009 -0.00006 0.00004 0.00011 -0.00011 -0.00004 -0.00002 -0.00011 0.00008 -0.00001 -0.00001 0.00001 0.00001 0.00002 0.00002 0.00000 -0.00001 -0.00003 -0.00014 -0.00011 -0.00021 -0.00018 0.00013 0.00010 0.00023 0.00019 0.00010 0.00003 0.00001 -0.00003 -0.00001 -0.00001 -0.00001 0.00000 0.00004 0.00002 0.00001 -0.00002 -0.00002 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 0.00004 -0.00001 -0.00001 -0.00002 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00002 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00002 -0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00004 -0.00005 0.00009 0.00002 -0.00006 -0.00004 -0.00003 0.00006 -0.00002 0.00005 -0.00003 -0.00003 0.00001 -0.00000 0.00001 -0.00005 0.00001 0.00003 -0.00003 0.00005 -0.00001 0.00001 0.00005 0.00007 -0.00003 -0.00008 -0.00002 0.00001 -0.00001 0.00001 0.00001 -0.00001 -0.00000 0.00000 0.00002 -0.00002 0.00000 -0.00001 -0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00002 0.00001 -0.00000 -0.00000 0.00001 -0.00003 0.00002 0.00001 -0.00003 0.00002 0.00001 0.00001 -0.00001 0.00000 -0.00001 -0.00003 0.00004 0.00007 -0.00010 0.00016 0.00008 0.00019 0.00025 0.00021 0.00029 0.00035 0.00031 -0.00010 -0.00005 -0.00020 -0.00014 -0.00002 -0.00003 0.00008 0.00002 -0.00004 -0.00003 -0.00018 -0.00027 -0.00026 -0.00016 -0.00025 -0.00024 -0.00017 -0.00027 -0.00025 -0.00042 -0.00046 -0.00044 -0.00039 -0.00043 -0.00041 -0.00033 -0.00037 -0.00035 -0.00002 0.00010 0.00000 0.00013 -0.00007 0.00005 -0.00001 -0.00001 -0.00005 0.00009 0.00008 0.00004 0.00007 0.00006 0.00002 0.00015 0.00009 0.00002 -0.00004 -0.00012 -0.00005 -0.00000 0.00007 -0.00014 -0.00007 -0.00009 -0.00002 -0.00017 -0.00011 0.00016 0.00028 0.00010 0.00022 -0.00018 -0.00027 -0.00012 -0.00021 -0.00003 -0.00007 0.00003 -0.00001 -0.00001 -0.00005 -0.00008 -0.00012 0.00003 0.00001 -0.00009 -0.00011 -0.00000 -0.00006 0.00009 0.00003 0.00001 0.00006 0.00006 0.00011 0.00001 -0.00004 0.00004 -0.00001 -0.00027 -0.00015 -0.00025 -0.00013 0.00026 0.00014 0.00031 0.00019 3.32642 2.57112 2.73745 2.56104 2.49630 2.49290 2.57583 2.17891 2.95154 2.96407 2.90157 2.77970 2.91823 2.06865 2.06504 2.06346 2.05781 2.63602 2.64083 2.85793 2.06622 2.06849 2.63817 2.64214 2.63486 2.04720 2.62544 2.04600 2.63018 2.04839 2.62984 2.05183 2.62850 2.04837 2.63481 2.04764 2.03918 2.04805 2.62667 2.04485 2.62901 2.04573 2.03914 2.10252 1.90986 2.26766 1.78908 1.79545 1.86958 2.00048 1.86802 1.91131 1.87439 1.93485 2.03545 1.87094 1.88642 1.89172 1.91126 1.86025 1.98380 1.90794 1.85803 1.91665 1.89449 1.90061 2.11970 2.08867 2.07401 1.99306 1.91168 1.86780 1.92493 1.90552 1.85496 2.11874 2.09823 2.06489 2.10423 2.09761 2.08130 2.10584 2.10329 2.07386 2.11615 2.08860 2.07774 2.11773 2.08905 2.07628 2.09821 2.08565 2.09932 2.09819 2.08782 2.09716 1.92333 2.14715 2.21268 2.08537 2.10082 2.09700 2.07821 2.10764 2.09714 2.07542 2.11127 2.09647 2.00701 2.12367 2.15248 2.08522 2.08483 2.11312 3.15106 3.09614 3.07199 0.00731 -1.74653 2.38850 0.33813 1.30043 -0.84772 -2.89809 -0.00852 3.12654 -3.06364 0.07142 -0.00400 3.13223 0.00561 -3.12915 -0.00090 -3.13703 3.04398 0.92105 -1.07810 -1.11506 3.04520 1.04605 1.03809 -1.08484 -3.08399 3.05184 -1.08797 0.98804 0.87261 3.01598 -1.19119 -1.22972 0.91365 2.98967 2.34912 -0.83624 -1.83286 1.26497 0.23223 -2.95313 1.29017 -0.87834 -2.88221 -2.88104 1.23363 -0.77024 -0.85814 -3.02665 1.25266 3.12257 -0.02908 0.02438 -3.12726 -3.13422 0.02841 -0.03525 3.12739 -1.81581 1.26969 0.34560 -2.85209 2.37764 -0.82005 3.04852 -0.05258 -0.03802 -3.13912 -3.05253 0.07240 0.03468 -3.12357 0.00141 3.13762 -3.13023 0.00599 0.02034 -3.11463 3.14124 0.00627 0.00994 -3.11046 3.11128 -0.00912 -0.00330 3.13085 -3.12836 0.00579 -0.01672 3.12538 3.13030 -0.01079 0.00593 -3.13616 3.14086 -0.00123 -3.11251 0.02281 0.00803 -3.13984 3.10928 -0.02604 -0.02494 3.12293 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000034 0.000005 0.001303 0.000310 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -3.085779e-08 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 R43 1 2 2 2 3 4 4 5 6 6 6 6 7 7 7 8 8 9 9 10 10 10 11 11 13 13 14 14 15 15 16 16 17 17 18 18 19 20 21 21 22 22 23 24 3 8 19 23 19 23 12 7 8 9 12 10 25 26 27 28 13 14 11 29 30 15 16 17 31 18 32 21 33 22 34 20 35 20 36 37 38 24 39 24 40 41 1.7602 1.3606 1.4486 1.3553 1.321 1.3192 1.3631 1.153 1.5619 1.5685 1.5354 1.471 1.5443 1.0947 1.0928 1.0919 1.0889 1.3949 1.3975 1.5123 1.0934 1.0946 1.3961 1.3982 1.3943 1.0833 1.3893 1.0827 1.3918 1.084 1.3917 1.0858 1.3909 1.0839 1.3943 1.0836 1.0791 1.0838 1.39 1.0821 1.3912 1.0826 1.0791 -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 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 3 3 8 2 19 7 7 7 8 8 9 6 6 6 10 10 25 2 2 2 6 6 27 6 6 13 7 7 7 11 11 29 10 10 15 9 9 17 9 9 18 11 11 21 11 11 22 13 13 20 14 14 20 2 2 4 17 17 18 15 15 24 16 16 24 3 3 4 1 1 21 2 2 2 3 4 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 10 10 10 10 10 10 11 11 11 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 8 19 19 23 23 8 9 12 9 12 12 10 25 26 25 26 26 6 27 28 27 28 28 13 14 14 11 29 30 29 30 30 15 16 16 17 31 31 18 32 32 21 33 33 22 34 34 20 35 35 20 36 36 4 37 37 18 38 38 24 39 39 24 40 40 4 41 41 21 22 22 120.4653 109.4274 129.9271 102.5075 102.8718 107.1172 114.6222 107.0247 109.5091 107.3976 110.8608 116.6245 107.1936 108.0852 108.3846 109.5089 106.586 113.6631 109.3172 106.4571 109.8189 108.5456 108.8952 121.4517 119.6691 118.8325 114.1935 109.5285 107.0133 110.2919 109.1827 106.2825 121.3946 120.2206 118.3091 120.563 120.1848 119.2498 120.6556 120.5088 118.8249 121.2462 119.6681 119.046 121.3366 119.6947 118.9621 120.2187 119.4985 120.2821 120.2173 119.6233 120.1583 110.1981 123.0241 126.7766 119.4831 120.3681 120.1488 119.0743 120.7576 120.1569 118.9146 120.9657 120.1183 114.9931 121.678 123.3282 119.4748 119.4536 121.0705 -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 A72 5 12 6 4 -1 180.5387 -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 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 8 19 3 3 3 19 19 19 3 3 8 8 2 2 23 23 19 19 8 8 8 9 9 9 12 12 12 7 7 7 9 9 9 12 12 12 7 7 8 8 12 12 6 6 6 25 25 25 26 26 26 6 6 14 14 6 6 13 13 7 7 29 29 30 30 10 10 16 16 10 10 15 15 9 9 31 31 9 9 32 32 11 11 33 33 11 11 34 34 13 13 35 35 14 14 36 36 15 15 39 39 16 16 40 2 2 2 2 2 2 2 2 2 2 2 2 3 3 4 4 4 4 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 11 11 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 21 21 21 21 22 22 22 3 3 8 8 8 8 8 8 19 19 19 19 23 23 19 19 23 23 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 13 13 13 13 14 14 14 14 11 11 11 11 11 11 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 21 21 21 21 22 22 22 22 20 20 20 20 20 20 20 20 24 24 24 24 24 24 24 23 23 6 27 28 6 27 28 4 37 4 37 4 41 2 37 3 41 10 25 26 10 25 26 10 25 26 2 27 28 2 27 28 2 27 28 13 14 13 14 13 14 11 29 30 11 29 30 11 29 30 17 31 17 31 18 32 18 32 15 16 15 16 15 16 21 33 21 33 22 34 22 34 20 35 20 35 20 36 20 36 24 39 24 39 24 40 24 40 18 38 18 38 17 38 17 38 1 22 1 22 1 21 1 176.003 0.4145 -100.0798 136.8368 19.3617 74.4924 -48.5911 -166.0662 -0.4821 179.1404 -175.5224 4.1001 -0.2279 179.465 0.3168 -179.2881 -0.0495 -179.7367 174.4171 52.7876 -61.756 -63.8791 174.4914 59.9478 59.488 -62.1415 -176.6851 174.8818 -62.3099 56.6362 50.0194 172.8277 -68.2262 -70.439 52.3693 171.3153 134.596 -47.9187 -105.0155 72.4698 13.31 -169.2048 73.9218 -50.3245 -165.1355 -165.0768 70.6768 -44.1342 -49.1718 -173.4181 71.7708 178.9014 -1.671 1.3956 -179.1767 -179.5707 1.631 -2.0195 179.1822 -104.0306 72.7519 19.8064 -163.4111 136.2383 -46.9792 174.6579 -3.0285 -2.1843 -179.8706 -174.8871 4.1637 1.9935 -178.9558 0.0821 179.7766 -179.3509 0.3436 1.166 -178.4524 179.9842 0.3658 0.5679 -178.2168 178.2684 -0.5163 -0.1892 179.3874 -179.2468 0.3299 -0.9585 179.0674 179.3494 -0.6247 0.3393 -179.6866 179.9557 -0.0702 -178.3179 1.3154 0.4743 -179.8924 178.1336 -1.4997 -1.4468 -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|-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 -0.0556631857 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 319.6830999999998 AuxInfo=1/0/N:20,17,18,13,14,15,16,21,22,10,7,12,8,23,19,11,9,24,6,1,5,4,3,2/E:(2,3)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,12.2,14.3,15.3,16.3,17.3,18.3,21.1,22.2,23.2/rA:41ClNN2N2N1CCCC3CC3C2C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;s2;;;;s6;s2s6;s6;s7;s10;s5s6;s9;s9;s11;s11;s13;s14;s2s4;s17s18;s15;s16;s3s4;s1s21s22;s7;s7;s8;s8;s10;s10;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 8.585975 0.000000 8.450599 1.337286 0.000000 9.835105 2.172280 2.241135 0.000000 8.320493 3.763060 4.930201 4.679888 0.000000 6.886246 2.497681 3.353355 4.347241 2.615074 0.000000 6.707658 3.803485 4.607035 5.808325 3.387121 1.546916 0.000000 8.070398 1.433897 2.407479 3.571822 3.401759 1.553377 2.498662 0.000000 5.797010 2.876623 3.185005 4.371613 3.485341 1.522693 2.586247 2.511598 0.000000 6.011286 5.100647 5.882862 6.933683 3.670096 2.620864 1.532551 3.923192 3.228325 0.000000 4.511471 5.657807 6.168915 7.383531 4.566797 3.264753 2.547439 4.659449 3.151982 1.503393 0.000000 7.593477 2.998621 4.102598 4.339081 1.150265 1.465639 2.419572 2.430853 2.459667 2.985302 3.825718 0.000000 5.916509 3.328084 3.542494 4.134501 3.491578 2.540530 3.768424 3.452282 1.388262 4.134628 3.911046 2.796555 0.000000 5.075058 3.621027 3.515291 5.196024 4.820317 2.520104 3.040940 3.185196 1.390782 3.649443 3.195283 3.744711 2.391512 0.000000 3.981828 5.897302 6.340162 7.306352 4.523212 3.672499 3.486371 5.174854 3.155583 2.522471 1.389458 3.946701 3.403335 3.381886 0.000000 3.981396 6.355008 6.671876 8.191353 5.844626 4.141935 3.253459 5.310956 3.890573 2.511588 1.390681 4.995184 4.795958 3.414644 2.386107 0.000000 5.341483 4.338379 4.168659 4.814972 4.812941 3.816396 4.911082 4.623337 2.411018 5.140565 4.554132 4.177550 1.387726 2.763563 3.811449 5.216664 0.000000 4.380875 4.572173 4.154699 5.760531 5.845112 3.799644 4.370768 4.428596 2.410488 4.748493 3.943737 4.859974 2.765347 1.382749 3.779848 3.970758 2.393228 0.000000 9.428048 1.344652 2.191525 1.306460 3.585642 3.305797 4.702603 2.514989 3.701007 5.852812 6.480974 3.210860 3.717018 4.681455 6.540109 7.351355 4.718860 5.516071 0.000000 4.531966 4.882922 4.455179 5.599607 5.847399 4.313728 5.158315 5.031260 2.791325 5.399270 4.565661 5.039482 2.403418 2.401641 3.979869 4.854794 1.383825 1.387438 5.539619 0.000000 2.697320 6.729060 6.939201 8.001383 5.739108 4.738327 4.654336 6.149073 3.860308 3.798469 2.417533 5.141435 3.909925 3.729706 1.384660 2.766775 3.817460 3.620057 7.405670 3.663616 0.000000 2.697543 7.142539 7.252329 8.829242 6.840666 5.118411 4.484457 6.270087 4.491698 3.792788 2.420123 5.994406 5.182455 3.766380 2.769406 1.385214 5.236950 3.827645 8.142211 4.612508 2.407392 0.000000 9.229092 2.066543 1.308620 1.350329 5.321622 4.293890 5.689478 3.441336 4.042996 6.883530 7.155271 4.711977 3.979722 4.528850 7.140982 7.764282 4.446322 4.954374 2.076181 4.924440 7.689464 8.282552 0.000000 1.728763 7.293725 7.358047 8.722996 6.781104 5.354053 5.050911 6.625198 4.459292 4.284035 2.783044 6.040097 4.776348 3.893390 2.389727 2.388704 4.574301 3.629606 8.148645 4.005229 1.384867 1.385258 8.228628 0.000000 7.753008 3.997494 4.973053 6.001017 3.417187 2.144460 1.093688 2.615318 3.490013 2.142871 3.454687 2.646644 4.604011 4.033106 4.429344 4.130454 5.839509 5.394646 4.788045 6.172958 5.665560 5.435881 6.022022 6.076091 0.000000 6.470599 4.031014 4.580809 6.142055 4.408098 2.157800 1.092474 2.719408 2.819902 2.161366 2.745200 3.363704 4.165957 2.758646 3.841858 2.965034 5.128565 4.062416 5.140028 5.091199 4.796867 4.126001 5.791749 4.899329 1.745080 0.000000 8.930633 2.073406 3.214667 3.974975 3.356440 2.181056 2.738715 1.091716 3.457467 4.151681 5.167952 2.613641 4.341350 4.192377 5.791673 5.870042 5.596077 5.481408 2.776543 6.084225 6.894203 6.965161 4.096437 7.403933 2.395485 3.096375 0.000000 7.905876 2.038230 2.472049 4.174784 4.410392 2.164915 2.673599 1.088964 2.806958 4.163499 4.752276 3.366903 3.950686 2.977993 5.425959 5.119913 4.936182 4.200167 3.320673 5.047735 6.278569 6.019187 3.713100 6.528435 2.865296 2.436002 1.764645 0.000000 6.498308 5.248539 6.168707 6.873534 2.988800 2.827952 2.162610 4.203724 3.519006 1.092681 2.144025 2.618544 4.127948 4.260305 2.646752 3.389985 5.214315 5.309630 5.764824 5.723558 4.025064 4.553669 7.022986 4.794773 2.525520 3.063272 4.323733 4.689410 0.000000 6.490717 5.902710 6.710027 7.826121 4.458040 3.508484 2.127450 4.607683 4.241094 1.092907 2.132183 3.866142 5.217038 4.509080 3.318294 2.707710 6.203446 5.610021 6.691087 6.372304 4.496852 4.063639 7.770597 4.784250 2.342107 2.512469 4.664915 4.732838 1.742739 0.000000 6.730858 3.391182 3.865898 3.873888 2.803614 2.759159 4.076009 3.635878 2.151426 4.390467 4.411392 2.431326 1.082561 3.380829 3.837719 5.487220 2.132340 3.847728 3.401023 3.375292 4.505346 5.988784 4.078564 5.545805 4.741100 4.693601 4.338030 4.374830 4.120457 5.469004 0.000000 5.359552 3.891602 3.819763 5.723596 5.260571 2.725663 2.781168 3.168213 2.154318 3.537366 3.216820 4.127783 3.380642 1.082187 3.804863 3.127076 3.845505 2.125112 5.107513 3.372496 4.223527 3.625911 5.000147 4.127432 3.693309 2.134512 4.066576 2.654831 4.356728 4.192058 4.289269 0.000000 4.828717 5.710698 6.285469 6.922730 3.791341 3.566351 3.643374 5.107545 3.182280 2.730650 2.143803 3.438550 3.122168 3.810319 1.083002 3.371928 3.686155 4.274036 6.144368 4.220190 2.131661 3.852351 6.946021 3.367020 4.471228 4.254700 5.650194 5.567411 2.422317 3.621428 3.256790 4.378682 0.000000 4.829085 6.541452 6.884440 8.524212 6.242391 4.400240 3.241225 5.361605 4.414275 2.714193 2.146757 5.355256 5.503640 3.873495 3.373387 1.084380 6.034131 4.584085 7.621097 5.635389 3.851094 2.131811 8.066422 3.366884 3.930597 2.731793 5.801647 5.032317 3.729025 2.552280 6.184231 3.292295 4.274944 0.000000 5.825181 5.010292 4.837448 5.069756 5.215737 4.677827 5.836225 5.462273 3.385823 5.975883 5.390591 4.783018 2.138520 3.845365 4.465859 6.125832 1.081884 3.377708 5.140443 2.143554 4.367594 6.071974 4.849354 5.239382 6.721356 6.144377 6.382462 5.874521 5.905105 7.053230 2.442043 4.927326 4.172515 7.000481 0.000000 4.139570 5.375652 4.824560 6.608289 6.845868 4.654957 5.009549 5.170885 3.385993 5.361112 4.441807 5.822925 3.846858 2.135282 4.409573 4.123858 3.376265 1.081560 6.409806 2.145573 4.045561 3.736446 5.670034 3.675866 6.020990 4.499358 6.206830 4.748680 6.051125 6.096813 4.929266 2.435263 5.069993 4.629919 4.276215 0.000000 9.861874 2.138412 3.220328 2.133140 2.999597 3.459665 4.744095 2.862821 4.138143 5.783466 6.585347 2.938616 4.119932 5.282793 6.646010 7.584452 5.258217 6.214878 1.079376 6.211643 7.640338 8.480728 3.134049 8.488415 4.664189 5.364226 2.787174 3.834762 5.525844 6.570580 3.573496 5.689933 6.124753 7.846023 5.617166 7.158261 0.000000 4.421077 5.842592 5.280749 6.356370 6.849714 5.395459 6.203736 6.075106 3.873034 6.366230 5.401615 6.089341 3.385738 3.382061 4.713931 5.561541 2.144680 2.145650 6.445703 1.081775 4.115913 5.077870 5.622776 4.316867 7.233002 6.086485 7.138689 6.044000 6.691115 7.312497 4.267688 4.261886 4.989738 6.372410 2.476407 2.474808 7.153150 0.000000 2.843794 7.160739 7.324364 8.178288 6.048751 5.351540 5.488555 6.757461 4.350324 4.664147 3.395447 5.580048 4.048020 4.347848 2.144603 3.847658 3.707274 4.021869 7.696486 3.683257 1.080899 3.386833 7.920654 2.144387 6.488981 5.717900 7.532507 6.976881 4.711480 5.424047 4.536325 5.010206 2.456266 4.931979 3.996911 4.497409 7.924221 3.947317 0.000000 2.842942 7.850999 7.857323 9.584281 7.828613 5.948974 5.236912 6.961934 5.328817 4.657614 3.399808 6.935373 6.087114 4.415225 3.850678 2.147853 6.057679 4.362416 8.931265 5.256851 3.386587 1.081312 8.932569 2.144298 6.134879 4.703701 7.656227 6.568788 5.501344 4.777599 6.953192 4.106631 4.933622 2.459183 6.907266 4.007549 9.329242 5.604888 4.278937 0.000000 9.534138 3.105848 2.088657 2.141636 6.326390 5.234429 6.607109 4.424439 4.779591 7.773343 7.910065 5.714660 4.611587 5.070013 7.829040 8.428142 4.786890 5.242522 3.116448 5.114520 8.228178 8.811352 1.078431 8.697394 7.003112 6.617584 5.121161 4.551013 7.956048 8.674750 4.796545 5.563328 7.682272 8.755835 5.085296 5.842675 4.144641 5.635956 8.393500 9.399714 0.000000 C19H17ClN4 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 0 319.6830999999998 AuxInfo=1/0/N:20,17,18,13,14,15,16,21,22,10,7,12,8,23,19,11,9,24,6,1,5,4,3,2/E:(2,3)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,12.2,14.3,15.3,16.3,17.3,18.3,21.1,22.2,23.2/rA:41ClNN2N2N1CCCC3CC3C2C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;s2;;;;s6;s2s6;s6;s7;s10;s5s6;s9;s9;s11;s11;s13;s14;s2s4;s17s18;s15;s16;s3s4;s1s21s22;s7;s7;s8;s8;s10;s10;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4523735 0.1566485 0.1349193 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 319.6830999999998 AuxInfo=1/0/N:20,17,18,13,14,15,16,21,22,10,7,12,8,23,19,11,9,24,6,1,5,4,3,2/E:(2,3)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,12.2,14.3,15.3,16.3,17.3,18.3,21.1,22.2,23.2/rA:41ClNN2N2N1CCCC3CC3C2C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;s2;;;;s6;s2s6;s6;s7;s10;s5s6;s9;s9;s11;s11;s13;s14;s2s4;s17s18;s15;s16;s3s4;s1s21s22;s7;s7;s8;s8;s10;s10;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 8.689737 0.000000 8.577188 1.360560 0.000000 9.968746 2.193528 2.263745 0.000000 8.485527 3.795353 5.003851 4.725156 0.000000 6.975415 2.526359 3.419128 4.385485 2.623325 0.000000 6.756038 3.839753 4.669615 5.860855 3.410672 1.561865 0.000000 8.140436 1.448590 2.438871 3.608213 3.423419 1.568506 2.518275 0.000000 5.890231 2.911571 3.267888 4.403934 3.501209 1.535439 2.606778 2.535024 0.000000 6.059262 5.150076 5.962004 6.997322 3.712130 2.643100 1.544271 3.955564 3.245075 0.000000 4.551282 5.729077 6.269923 7.473924 4.657829 3.314831 2.566351 4.705363 3.199545 1.512334 0.000000 7.731706 3.031549 4.176725 4.383913 1.153032 1.470967 2.438950 2.450240 2.475858 3.019842 3.904253 0.000000 6.031516 3.409052 3.689674 4.215629 3.498089 2.557049 3.781007 3.504482 1.394924 4.125580 3.940833 2.808881 0.000000 5.147769 3.619355 3.540671 5.189394 4.847525 2.536676 3.076006 3.185388 1.397470 3.691829 3.254789 3.769712 2.403935 0.000000 4.019156 6.018911 6.494224 7.449625 4.667764 3.759485 3.531194 5.265125 3.231007 2.536901 1.396070 4.074606 3.462350 3.448216 0.000000 4.018462 6.389107 6.731076 8.249546 5.919361 4.169573 3.248245 5.317718 3.932230 2.523998 1.398158 5.053811 4.835973 3.472206 2.398995 0.000000 5.463829 4.414452 4.313083 4.887807 4.827815 3.839435 4.931187 4.675712 2.422375 5.136608 4.582628 4.198218 1.394315 2.778102 3.852197 5.267005 0.000000 4.459485 4.583218 4.194369 5.756466 5.876061 3.822370 4.406670 4.441976 2.421365 4.784859 3.995662 4.889887 2.779010 1.389318 3.827565 4.038225 2.405769 0.000000 9.537121 1.355259 2.216860 1.319192 3.603065 3.322049 4.738296 2.540702 3.709432 5.897688 6.549947 3.228648 3.760418 4.663385 6.658553 7.389009 4.755605 5.502319 0.000000 4.640019 4.927166 4.549273 5.629341 5.873366 4.338869 5.187841 5.066553 2.803678 5.415220 4.604232 5.067607 2.414758 2.413304 4.016998 4.917155 1.390942 1.394282 5.548706 0.000000 2.727295 6.854560 7.097858 8.154919 5.896816 4.828217 4.698024 6.237954 3.946768 3.819070 2.429402 5.277041 3.999704 3.799724 1.391822 2.781762 3.896304 3.678771 7.531057 3.727813 0.000000 2.728019 7.188092 7.320972 8.901522 6.940346 5.159618 4.489331 6.285833 4.547344 3.811462 2.432157 6.074007 5.247461 3.826082 2.784576 1.391656 5.314119 3.904157 8.192894 4.695940 2.421473 0.000000 9.374887 2.091558 1.320992 1.363076 5.393818 4.355143 5.754834 3.479146 4.113169 6.964667 7.263012 4.783446 4.118961 4.545945 7.304210 7.834883 4.584734 4.981442 2.097473 5.005906 7.862667 8.366156 0.000000 1.760213 7.377172 7.469991 8.835266 6.911146 5.417663 5.072236 6.674252 4.529922 4.301034 2.791549 6.147529 4.859193 3.955250 2.397803 2.396746 4.663307 3.699518 8.234968 4.090019 1.389986 1.391211 8.356772 0.000000 7.797460 4.033599 5.029463 6.057689 3.432254 2.156052 1.094683 2.636950 3.510608 2.156257 3.471053 2.657384 4.619073 4.066042 4.475690 4.117372 5.862063 5.430558 4.831108 6.204079 5.709801 5.432470 6.084296 6.093454 0.000000 6.477860 4.053321 4.622680 6.180089 4.427486 2.166393 1.092780 2.726713 2.833882 2.169347 2.738942 3.378130 4.177345 2.786280 3.855262 2.928798 5.146954 4.092248 5.164936 5.116504 4.804680 4.094221 5.838136 4.883008 1.753695 0.000000 9.000475 2.082604 3.232362 4.014697 3.378139 2.194066 2.758754 1.091939 3.479936 4.189142 5.215357 2.631014 4.387931 4.197761 5.885499 5.873812 5.644574 5.497548 2.811698 6.118773 6.984935 6.977559 4.126411 7.451871 2.420204 3.105991 0.000000 7.927140 2.044013 2.478386 4.202078 4.430407 2.175435 2.690250 1.088948 2.818748 4.187205 4.772531 3.383152 3.990905 2.962053 5.480749 5.097197 4.977011 4.198071 3.343395 5.069989 6.325452 5.996347 3.732843 6.534858 2.893134 2.442100 1.774335 0.000000 6.545221 5.283768 6.232293 6.919283 3.022415 2.825736 2.170059 4.228101 3.494351 1.093402 2.151655 2.634919 4.066421 4.263447 2.651457 3.409047 5.155014 5.302103 5.794068 5.688662 4.038639 4.577159 7.086191 4.810888 2.552990 3.066945 4.366143 4.705536 0.000000 6.540331 5.947747 6.786439 7.884991 4.475444 3.527992 2.138247 4.636594 4.267361 1.094600 2.138497 3.882098 5.213333 4.573270 3.320326 2.731026 6.209503 5.671923 6.730683 6.407248 4.508777 4.090433 7.848346 4.801454 2.344602 2.540202 4.693169 4.764636 1.750657 0.000000 6.851269 3.497053 4.038992 4.001899 2.792212 2.766281 4.072524 3.696553 2.153836 4.358694 4.426545 2.428548 1.083329 3.390996 3.891442 5.512576 2.143323 3.862263 3.479366 3.390264 4.595668 6.044775 4.258871 5.626016 4.740468 4.692332 4.392272 4.422967 4.034909 5.433712 0.000000 5.408759 3.859339 3.794897 5.692351 5.287755 2.736923 2.823876 3.142835 2.159028 3.600662 3.284040 4.150351 3.392111 1.082696 3.869698 3.185336 3.860630 2.133752 5.072225 3.386001 4.280858 3.672171 4.976120 4.171319 3.731811 2.174743 4.051206 2.608056 4.386788 4.285155 4.297008 0.000000 4.866135 5.855363 6.461419 7.089330 3.962422 3.663566 3.698709 5.220511 3.249741 2.743346 2.149897 3.587546 3.164971 3.861674 1.083960 3.385034 3.696729 4.298119 6.286724 4.226433 2.139416 3.868394 7.131388 3.376643 4.535241 4.279488 5.772394 5.643515 2.420645 3.616985 3.302488 4.434584 0.000000 4.867472 6.533602 6.897935 8.541182 6.280895 4.397039 3.210700 5.328751 4.433720 2.722826 2.153561 5.378443 5.524229 3.916671 3.386522 1.085780 6.072095 4.645839 7.620065 5.691377 3.867509 2.139860 8.092008 3.377511 3.887780 2.674259 5.762822 4.975539 3.749388 2.585468 6.186509 3.340973 4.287902 0.000000 5.956550 5.105692 5.007208 5.173578 5.227393 4.702350 5.852953 5.525892 3.399228 5.960806 5.410053 4.802752 2.146499 3.861989 4.495390 6.172015 1.083949 3.391967 5.197934 2.151794 4.441115 6.149243 5.024260 5.329487 6.741053 6.160906 6.441778 5.926896 5.831598 7.043671 2.457394 4.944544 4.168813 7.035325 0.000000 4.194281 5.371200 4.832502 6.584899 6.881407 4.679241 5.051396 5.175486 3.398903 5.409899 4.497571 5.856091 3.862523 2.143026 4.449954 4.199008 3.390281 1.083565 6.384865 2.153174 4.086454 3.813967 5.666763 3.732948 6.062747 4.535742 6.215635 4.736303 6.058867 6.178342 4.945788 2.446941 5.088408 4.708402 4.291864 0.000000 9.944820 2.143638 3.244487 2.146906 2.974425 3.445958 4.760360 2.881350 4.109233 5.803849 6.627218 2.915265 4.104033 5.243019 6.731697 7.600237 5.238600 6.174609 1.079085 6.179488 7.732512 8.508842 3.155560 8.546403 4.696825 5.375260 2.832155 3.858374 5.532309 6.585858 3.579055 5.645498 6.233839 7.828479 5.610180 7.114078 0.000000 4.530572 5.888282 5.373436 6.385699 6.877661 5.422592 6.234482 6.112369 3.887383 6.381660 5.436633 6.119565 3.398793 3.395273 4.738922 5.626478 2.152559 2.153249 6.455679 1.083778 4.165925 5.165382 5.704396 4.400061 7.265587 6.113417 7.175308 6.068116 6.654703 7.348418 4.285675 4.277600 4.981240 6.436175 2.485461 2.482981 7.121474 0.000000 2.862603 7.314591 7.512667 8.366638 6.235375 5.457265 5.544016 6.869515 4.445787 4.689459 3.410791 5.738881 4.155474 4.414280 2.156041 3.863797 3.797371 4.068930 7.852996 3.741718 1.082087 3.399426 8.128269 2.148066 6.548634 5.735204 7.648799 7.042283 4.728859 5.436986 4.655753 5.062344 2.471562 4.949523 4.086994 4.519045 8.045733 3.984922 0.000000 2.862909 7.872380 7.895659 9.631994 7.917084 5.978353 5.234724 6.956422 5.376175 4.680170 3.415351 7.002943 6.148946 4.466516 3.867096 2.158461 6.136870 4.438163 8.960333 5.344231 3.399352 1.082559 8.987228 2.149152 6.121643 4.665484 7.645783 6.523674 5.530558 4.815016 7.006284 4.142431 4.950906 2.474529 6.989796 4.089735 9.339919 5.702506 4.288502 0.000000 9.698580 3.132003 2.099171 2.153746 6.407391 5.303217 6.677977 4.463251 4.864153 7.862193 8.028620 5.794355 4.773259 5.100579 8.005083 8.510689 4.960615 5.287836 3.138067 5.226730 8.418798 8.909215 1.079064 8.843448 7.067693 6.668941 5.148852 4.570698 8.025282 8.760943 4.998221 5.546380 7.878323 8.791717 5.305498 5.851600 4.167002 5.752197 8.621083 9.467317 0.000000 C19H17ClN4 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 0 319.6830999999998 AuxInfo=1/0/N:20,17,18,13,14,15,16,21,22,10,7,12,8,23,19,11,9,24,6,1,5,4,3,2/E:(2,3)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,12.2,14.3,15.3,16.3,17.3,18.3,21.1,22.2,23.2/rA:41ClNN2N2N1CCCC3CC3C2C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;s2;;;;s6;s2s6;s6;s7;s10;s5s6;s9;s9;s11;s11;s13;s14;s2s4;s17s18;s15;s16;s3s4;s1s21s22;s7;s7;s8;s8;s10;s10;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4447190 0.1523828 0.1318041 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= 657 657 657 657 657 MxSgAt= 41 MxSgA2= 41. 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 662 A 638 A 638 1017 662 88 88 2122.5574361178 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 -0.0517294734 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 662 A 638 A 638 1017 662 88 88 2163.4121986701 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 -0.0576812882 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 662 A 638 A 638 1017 662 88 88 2133.3942442303 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 -0.0531908438 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 662 A 638 A 638 1017 662 88 88 2125.4092654137 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 -0.0521149235 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 662 A 638 A 638 1017 662 88 88 2138.9275028573 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 -0.0533969554 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 662 A 638 A 638 1017 662 88 88 2143.2861350598 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 -0.0539264042 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 662 A 638 A 638 1017 662 88 88 2143.6795231949 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 -0.0540523450 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 662 A 638 A 638 1017 662 88 88 2149.5097825170 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 -0.0549530758 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 662 A 638 A 638 1017 662 88 88 2147.8714391772 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 -0.0547328473 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 662 A 638 A 638 1017 662 88 88 2146.2187443272 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 -0.0544739300 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 662 A 638 A 638 1017 662 88 88 2146.4312966418 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 -0.0545557124 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 662 A 638 A 638 1017 662 88 88 2146.5345788935 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 -0.0545728202 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 662 A 638 A 638 1017 662 88 88 2146.5806721533 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 -0.0545917780 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 662 A 638 A 638 1017 662 88 88 2146.3699366408 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 -0.0545643537 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 662 A 638 A 638 1017 662 88 88 2146.0571707799 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 -0.0545436395 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= 638 RedAO= T EigKep= 1.08D-06 NBF= 638 NBsUse= 635 1.00D-06 EigRej= 8.86D-07 NBFU= 635 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= 657 657 657 657 657 MxSgAt= 41 MxSgA2= 41. 1 Closed 1 1 1 -1413.17857900911 -1413.37208495706 -0.193505947948 -1413.66632643017 -0.294241473107 -1413.24940106864 0.416925361523 -1413.70919358976 -0.459792521111 -1413.74903708303 -0.039843493276 -1413.74962720704 -0.000590124010 -1413.74965260662 -0.000025399577 -1413.74965511162 -0.000002504998 -1413.74965565412 -0.000000542500 -1413.74965567072 -0.000000016608 -1413.74965567420 -0.000000003480 -1413.74965567452 -0.000000000311 -1413.74965567456 -0.000000000041 -1413.74965567465 -0.000000000099 -1413.74965567459 0.000000000060 -1413.74965567461 -0.000000000014 -1413.74965567 17 1.409171166394e+03 -7.641988525106e+03 2.652300889660e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830260911 LenY= 2829822005 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. 6.76722552e-01 7.99795132e-01 -1.27365583e+00 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 7 7 7 7 6 6 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 1 1 1 0.010858126 0.009114703 -0.002114353 -0.000328890 -0.011147683 0.004038986 0.009270879 0.012026601 0.012364705 -0.008320528 0.004980044 -0.012369414 -0.001844666 -0.003866174 -0.004654248 -0.000246428 -0.002327165 -0.001940953 -0.001486948 -0.001992508 0.005961094 -0.001297304 -0.004036071 0.008627603 0.000428798 0.000400903 0.000223954 0.000560172 -0.004685992 -0.000291962 -0.000420024 -0.002833765 0.000125915 0.000589847 0.000921502 0.000915742 -0.002491215 -0.002096412 -0.004435776 -0.000357406 0.000118102 0.005603237 -0.001507722 -0.002624353 -0.004435891 -0.000633737 -0.001288839 0.004975965 -0.000153310 0.000944973 -0.005039007 0.002414030 0.002771973 0.003322873 -0.004758044 -0.015630238 -0.004742948 0.002979351 0.004239659 -0.001439685 0.000746803 0.000340925 -0.005285598 0.001951416 0.001010570 0.004929485 -0.002966828 0.017151288 -0.004710680 -0.004865398 -0.003782195 0.000702826 -0.000911973 -0.000669305 0.000083673 0.000577729 0.000569218 -0.000032653 -0.000648727 -0.000345406 -0.000590754 0.000584550 0.000791481 -0.000109491 -0.000529229 0.000271523 -0.000860862 0.000553421 -0.000583066 0.001151527 -0.000547443 -0.000939243 0.000162814 -0.000076300 -0.000349034 0.000166283 -0.000705190 -0.000019355 -0.000472354 -0.000607112 -0.000260425 0.000936450 0.000126042 0.000274182 -0.001504367 0.000833953 0.000777033 0.000958446 0.000802266 -0.000291372 0.000452632 0.000918458 0.001067924 -0.000478722 0.000666241 0.000652875 -0.000688420 0.000799663 0.000697861 0.000511447 0.000042677 0.000645262 -0.000017521 0.017151288 0.004153809 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1413.75247117327 -1413.75253744702 -0.000066273748 -1413.75253737028 0.000000076745 -1413.75253797139 -0.000000601115 -1413.75253802240 -0.000000051008 -1413.75253803654 -0.000000014136 -1413.75253803852 -0.000000001985 -1413.75253803882 -0.000000000297 -1413.75253803877 0.000000000045 -1413.75253803885 -0.000000000078 -1413.75253803884 0.000000000010 -1413.75253804 11 1.408542615998e+03 -7.599955129504e+03 2.631657348326e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830260911 LenY= 2829822005 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) PT101003.800S Mon Jul 12 22:17:51 2021 7.01283707e-01 7.98016339e-01 -1.21430720e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1413.752538 7.115E-9 1.005E-5 -12.120839,2.9740052,9.1468338,4.3499827,-8.8765791,-6.4436465 C01 [X(C19H17Cl1N4)] 0.4884049 -0.4313809 1.4759885 0.000031651 0.000014863 -0.000002455 -0.000003564 -0.000019343 -0.000021001 0.000009626 0.000024646 -0.000005012 -0.000001852 0.000001759 0.000005374 -0.000000781 -0.000006760 0.000002492 0.000001984 -0.000023043 -0.000010687 0.000010953 -0.000001948 0.000006756 -0.000016612 0.000012352 0.000006498 -0.000006280 0.000005390 0.000009647 -0.000031532 -0.000003765 0.000008539 0.000016427 0.000008871 -0.000012979 -0.000003617 0.000024015 -0.000004463 0.000002366 0.000004269 0.000001373 -0.000007734 -0.000003025 -0.000005344 -0.000000399 -0.000020087 0.000012837 0.000002624 -0.000004815 -0.000002880 -0.000005979 -0.000005987 -0.000004354 0.000005776 -0.000000353 -0.000000966 0.000001630 0.000011054 0.000012277 0.000007753 0.000000998 0.000004358 0.000016166 0.000012230 -0.000006237 0.000012827 0.000003160 0.000012200 -0.000000451 -0.000014958 0.000004625 -0.000047400 -0.000028112 -0.000004356 0.000002072 0.000001389 0.000006591 0.000000230 -0.000002911 0.000001014 0.000003796 -0.000004081 -0.000009083 -0.000002613 -0.000002422 0.000001119 0.000005012 -0.000001469 -0.000000011 0.000010179 0.000000167 -0.000005541 -0.000002299 -0.000000084 -0.000001106 0.000005235 0.000000178 0.000002315 -0.000005796 0.000006018 -0.000000577 -0.000005689 0.000003786 0.000001280 0.000002788 -0.000001369 -0.000000548 -0.000000288 0.000000549 0.000001466 0.000002292 -0.000001769 -0.000001768 -0.000000588 0.000001814 -0.000001250 -0.000003999 0.000002222 0.000001994 -0.000004867 0.000004337 -0.000002528 0.000000954 0.000002234 0.000000389 319.6830999999998 AuxInfo=1/0/N:20,17,18,13,14,15,16,21,22,10,7,12,8,23,19,11,9,24,6,1,5,4,3,2/E:(2,3)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,12.2,14.3,15.3,16.3,17.3,18.3,21.1,22.2,23.2/rA:41ClNN2N2N1CCCC3CC3C2C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;s2;;;;s6;s2s6;s6;s7;s10;s5s6;s9;s9;s11;s11;s13;s14;s2s4;s17s18;s15;s16;s3s4;s1s21s22;s7;s7;s8;s8;s10;s10;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 GINC-CIBELES19 PAULAPLA Optimization fenbuconazole CONF2 gas EM64L-G16RevC.01 117 C1[X(C19H17ClN4)] 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 0 319.6830999999998 AuxInfo=1/0/N:20,17,18,13,14,15,16,21,22,10,7,12,8,23,19,11,9,24,6,1,5,4,3,2/E:(2,3)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,12.2,14.3,15.3,16.3,17.3,18.3,21.1,22.2,23.2/rA:41ClNN2N2N1CCCC3CC3C2C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;s2;;;;s6;s2s6;s6;s7;s10;s5s6;s9;s9;s11;s11;s13;s14;s2s4;s17s18;s15;s16;s3s4;s1s21s22;s7;s7;s8;s8;s10;s10;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Optimization fenbuconazole CONF2 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 14 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 14.0030740 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 2 2 2 2 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 1 1 1 14.2400000 4.5500000 4.5500000 4.5500000 4.5500000 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 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 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/paulapla/almacen/ADAMA/censo_results/fenbuconazole/gas/CONF2/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 R43 1 2 2 2 3 4 4 5 6 6 6 6 7 7 7 8 8 9 9 10 10 10 11 11 13 13 14 14 15 15 16 16 17 17 18 18 19 20 21 21 22 22 23 24 3 8 19 23 19 23 12 7 8 9 12 10 25 26 27 28 13 14 11 29 30 15 16 17 31 18 32 21 33 22 34 20 35 20 36 37 38 24 39 24 40 41 1.7602 1.3606 1.4486 1.3553 1.321 1.3192 1.3631 1.153 1.5619 1.5685 1.5354 1.471 1.5443 1.0947 1.0928 1.0919 1.0889 1.3949 1.3975 1.5123 1.0934 1.0946 1.3961 1.3982 1.3943 1.0833 1.3893 1.0827 1.3918 1.084 1.3917 1.0858 1.3909 1.0839 1.3943 1.0836 1.0791 1.0838 1.39 1.0821 1.3912 1.0826 1.0791 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 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 3 3 8 2 19 7 7 7 8 8 9 6 6 6 10 10 25 2 2 2 6 6 27 6 6 13 7 7 7 11 11 29 10 10 15 9 9 17 9 9 18 11 11 21 11 11 22 13 13 20 14 14 20 2 2 4 17 17 18 15 15 24 16 16 24 3 3 4 1 1 21 2 2 2 3 4 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 10 10 10 10 10 10 11 11 11 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 8 19 19 23 23 8 9 12 9 12 12 10 25 26 25 26 26 6 27 28 27 28 28 13 14 14 11 29 30 29 30 30 15 16 16 17 31 31 18 32 32 21 33 33 22 34 34 20 35 35 20 36 36 4 37 37 18 38 38 24 39 39 24 40 40 4 41 41 21 22 22 120.4653 109.4274 129.9271 102.5075 102.8718 107.1172 114.6222 107.0247 109.5091 107.3976 110.8608 116.6245 107.1936 108.0852 108.3846 109.5089 106.586 113.6631 109.3172 106.4571 109.8189 108.5456 108.8952 121.4517 119.6691 118.8325 114.1935 109.5285 107.0133 110.2919 109.1827 106.2825 121.3946 120.2206 118.3091 120.563 120.1848 119.2498 120.6556 120.5088 118.8249 121.2462 119.6681 119.046 121.3366 119.6947 118.9621 120.2187 119.4985 120.2821 120.2173 119.6233 120.1583 110.1981 123.0241 126.7766 119.4831 120.3681 120.1488 119.0743 120.7576 120.1569 118.9146 120.9657 120.1183 114.9931 121.678 123.3282 119.4748 119.4536 121.0705 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 A72 A73 5 5 12 12 6 6 4 4 -1 -2 180.5387 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 177.4017 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 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 8 19 3 3 3 19 19 19 3 3 8 8 2 2 23 23 19 19 8 8 8 9 9 9 12 12 12 7 7 7 9 9 9 12 12 12 7 7 8 8 12 12 6 6 6 25 25 25 26 26 26 6 6 14 14 6 6 13 13 7 7 29 29 30 30 10 10 16 16 10 10 15 15 9 9 31 31 9 9 32 32 11 11 33 33 11 11 34 34 13 13 35 35 14 14 36 36 15 15 39 39 16 16 40 40 2 2 2 2 2 2 2 2 2 2 2 2 3 3 4 4 4 4 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 11 11 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 21 21 21 21 22 22 22 22 3 3 8 8 8 8 8 8 19 19 19 19 23 23 19 19 23 23 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 13 13 13 13 14 14 14 14 11 11 11 11 11 11 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 21 21 21 21 22 22 22 22 20 20 20 20 20 20 20 20 24 24 24 24 24 24 24 24 23 23 6 27 28 6 27 28 4 37 4 37 4 41 2 37 3 41 10 25 26 10 25 26 10 25 26 2 27 28 2 27 28 2 27 28 13 14 13 14 13 14 11 29 30 11 29 30 11 29 30 17 31 17 31 18 32 18 32 15 16 15 16 15 16 21 33 21 33 22 34 22 34 20 35 20 35 20 36 20 36 24 39 24 39 24 40 24 40 18 38 18 38 17 38 17 38 1 22 1 22 1 21 1 21 176.003 0.4145 -100.0798 136.8368 19.3617 74.4924 -48.5911 -166.0662 -0.4821 179.1404 -175.5224 4.1001 -0.2279 179.465 0.3168 -179.2881 -0.0495 -179.7367 174.4171 52.7876 -61.756 -63.8791 174.4914 59.9478 59.488 -62.1415 -176.6851 174.8818 -62.3099 56.6362 50.0194 172.8277 -68.2262 -70.439 52.3693 171.3153 134.596 -47.9187 -105.0155 72.4698 13.31 -169.2048 73.9218 -50.3245 -165.1355 -165.0768 70.6768 -44.1342 -49.1718 -173.4181 71.7708 178.9014 -1.671 1.3956 -179.1767 -179.5707 1.631 -2.0195 179.1822 -104.0306 72.7519 19.8064 -163.4111 136.2383 -46.9792 174.6579 -3.0285 -2.1843 -179.8706 -174.8871 4.1637 1.9935 -178.9558 0.0821 179.7766 -179.3509 0.3436 1.166 -178.4524 179.9842 0.3658 0.5679 -178.2168 178.2684 -0.5163 -0.1892 179.3874 -179.2468 0.3299 -0.9585 179.0674 179.3494 -0.6247 0.3393 -179.6866 179.9557 -0.0702 -178.3179 1.3154 0.4743 -179.8924 178.1336 -1.4997 -1.4468 178.9199 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|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. 0.00129 0.00370 0.00457 0.00587 0.00734 0.00888 0.01344 0.01481 0.01643 0.01685 0.01715 0.01739 0.01799 0.02051 0.02131 0.02208 0.02279 0.02346 0.02462 0.02497 0.02568 0.02673 0.02787 0.02823 0.02840 0.02955 0.03677 0.03849 0.04132 0.04322 0.04563 0.04832 0.05202 0.05730 0.05788 0.06545 0.06965 0.07222 0.07583 0.08075 0.08265 0.08368 0.08516 0.10917 0.11062 0.11284 0.11361 0.11578 0.11668 0.11824 0.11930 0.12118 0.12300 0.12532 0.12655 0.12950 0.13686 0.15890 0.17145 0.17971 0.18340 0.18491 0.18896 0.19146 0.19323 0.19435 0.20054 0.20433 0.22067 0.22155 0.23315 0.25013 0.25188 0.25500 0.25723 0.26303 0.28082 0.28437 0.29220 0.30658 0.30919 0.32407 0.32788 0.32848 0.33399 0.33653 0.33774 0.33849 0.34827 0.35136 0.35527 0.35633 0.35640 0.35800 0.35982 0.36097 0.36195 0.36232 0.36922 0.37052 0.38315 0.41193 0.41232 0.41419 0.42051 0.42441 0.45817 0.46406 0.46441 0.46662 0.46893 0.50601 0.50833 0.51001 0.57465 0.60272 1.24613 Angle between quadratic step and forces= 67.79 degrees. 1 2 0.00046968 0.00000016 0.00000011 0.00000000 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 R43 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 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 3.32632 2.57109 2.73744 2.56107 2.49631 2.49291 2.57584 2.17891 2.95150 2.96405 2.90156 2.77973 2.91825 2.06865 2.06505 2.06347 2.05781 2.63602 2.64083 2.85790 2.06623 2.06849 2.63819 2.64214 2.63487 2.04719 2.62543 2.04600 2.63016 2.04839 2.62985 2.05183 2.62850 2.04837 2.63481 2.04764 2.03918 2.04804 2.62669 2.04485 2.62901 2.04574 2.03914 2.10252 1.90987 2.26766 1.78909 1.79545 1.86955 2.00053 1.86793 1.91129 1.87444 1.93489 2.03548 1.87088 1.88644 1.89167 1.91129 1.86028 1.98380 1.90795 1.85803 1.91670 1.89448 1.90058 2.11973 2.08862 2.07402 1.99305 1.91163 1.86773 1.92496 1.90560 1.85498 2.11874 2.09824 2.06488 2.10422 2.09762 2.08130 2.10584 2.10328 2.07389 2.11615 2.08860 2.07774 2.11772 2.08907 2.07628 2.09821 2.08564 2.09932 2.09819 2.08782 2.09716 1.92332 2.14718 2.21267 2.08537 2.10082 2.09699 2.07824 2.10762 2.09713 2.07545 2.11125 2.09646 2.00701 2.12368 2.15248 2.08523 2.08486 2.11308 3.15099 3.09624 3.07183 0.00723 -1.74672 2.38825 0.33793 1.30014 -0.84807 -2.89840 -0.00841 3.12659 -3.06344 0.07156 -0.00398 3.13225 0.00553 -3.12917 -0.00086 -3.13700 3.04415 0.92132 -1.07784 -1.11490 3.04545 1.04629 1.03826 -1.08457 -3.08374 3.05226 -1.08751 0.98849 0.87300 3.01641 -1.19077 -1.22939 0.91402 2.99002 2.34914 -0.83634 -1.83287 1.26484 0.23230 -2.95318 1.29018 -0.87833 -2.88216 -2.88113 1.23354 -0.77029 -0.85821 -3.02672 1.25264 3.12242 -0.02916 0.02436 -3.12722 -3.13410 0.02847 -0.03525 3.12732 -1.81568 1.26976 0.34569 -2.85206 2.37781 -0.81994 3.04836 -0.05286 -0.03812 -3.13933 -3.05236 0.07267 0.03479 -3.12337 0.00143 3.13769 -3.13026 0.00600 0.02035 -3.11458 3.14132 0.00638 0.00991 -3.11047 3.11137 -0.00901 -0.00330 3.13090 -3.12845 0.00576 -0.01673 3.12532 3.13024 -0.01090 0.00592 -3.13612 3.14082 -0.00123 -3.11223 0.02296 0.00828 -3.13971 3.10902 -0.02618 -0.02525 3.12274 0.00003 0.00002 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00002 0.00001 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00002 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 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 -0.00001 0.00000 0.00001 -0.00001 0.00001 0.00000 -0.00001 0.00000 -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 0.00001 -0.00000 -0.00000 0.00001 0.00001 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 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 -0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00001 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 -0.00001 -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 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00001 -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 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -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 0.00001 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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00019 0.00006 -0.00003 -0.00004 -0.00002 -0.00001 -0.00001 0.00000 0.00004 0.00006 0.00000 -0.00003 -0.00004 0.00000 -0.00000 -0.00001 -0.00000 0.00001 -0.00002 0.00008 -0.00000 -0.00001 -0.00004 0.00001 -0.00001 0.00001 0.00001 0.00001 0.00004 0.00000 -0.00000 0.00001 0.00002 0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00004 -0.00001 0.00000 -0.00001 0.00001 0.00004 0.00000 -0.00001 -0.00003 -0.00001 0.00006 -0.00009 0.00011 0.00006 -0.00013 -0.00001 -0.00006 0.00006 -0.00001 0.00004 0.00001 -0.00005 -0.00001 -0.00006 0.00010 -0.00012 0.00006 0.00004 -0.00003 0.00005 -0.00002 0.00004 0.00006 0.00011 -0.00006 -0.00013 -0.00003 0.00001 -0.00003 0.00002 0.00002 -0.00001 -0.00001 0.00001 0.00003 -0.00004 -0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00001 0.00001 -0.00003 0.00001 -0.00001 -0.00000 0.00002 -0.00005 0.00002 0.00003 -0.00005 0.00004 0.00001 0.00003 -0.00002 -0.00001 -0.00002 -0.00006 0.00008 0.00007 -0.00017 0.00036 0.00000 0.00078 0.00098 0.00091 0.00121 0.00142 0.00135 -0.00000 -0.00009 -0.00040 -0.00049 -0.00000 0.00001 0.00000 0.00009 0.00000 -0.00001 -0.00002 -0.00009 -0.00006 0.00004 -0.00003 0.00000 0.00005 -0.00002 0.00001 -0.00015 -0.00032 -0.00031 -0.00011 -0.00029 -0.00027 -0.00005 -0.00023 -0.00021 -0.00015 0.00007 -0.00010 0.00013 -0.00023 -0.00000 0.00014 0.00014 0.00009 0.00022 0.00022 0.00016 0.00019 0.00019 0.00014 0.00027 0.00024 0.00005 0.00002 -0.00025 -0.00015 -0.00003 0.00007 -0.00042 -0.00036 -0.00036 -0.00029 -0.00051 -0.00044 0.00018 0.00036 0.00011 0.00030 -0.00019 -0.00032 -0.00013 -0.00025 -0.00003 -0.00009 0.00000 -0.00006 -0.00001 -0.00001 -0.00010 -0.00011 0.00003 0.00008 -0.00015 -0.00011 -0.00000 -0.00011 0.00012 0.00001 -0.00001 0.00003 0.00005 0.00009 0.00003 -0.00001 0.00003 -0.00001 -0.00029 -0.00017 -0.00033 -0.00021 0.00028 0.00016 0.00038 0.00026 0.00019 0.00006 -0.00003 -0.00004 -0.00002 -0.00001 -0.00001 0.00000 0.00004 0.00006 0.00000 -0.00003 -0.00004 0.00000 -0.00000 -0.00001 -0.00000 0.00001 -0.00002 0.00008 -0.00000 -0.00001 -0.00004 0.00001 -0.00001 0.00001 0.00001 0.00001 0.00004 0.00000 -0.00000 0.00001 0.00002 0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00004 -0.00001 0.00000 -0.00001 0.00001 0.00004 0.00000 -0.00002 -0.00003 -0.00001 0.00006 -0.00009 0.00011 0.00006 -0.00013 -0.00001 -0.00006 0.00006 -0.00001 0.00004 0.00001 -0.00005 -0.00001 -0.00006 0.00010 -0.00012 0.00006 0.00004 -0.00003 0.00005 -0.00002 0.00004 0.00006 0.00011 -0.00006 -0.00013 -0.00003 0.00001 -0.00003 0.00002 0.00002 -0.00001 -0.00001 0.00001 0.00003 -0.00004 -0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00001 0.00001 -0.00003 0.00001 -0.00001 -0.00000 0.00002 -0.00005 0.00002 0.00003 -0.00005 0.00004 0.00001 0.00003 -0.00002 -0.00001 -0.00002 -0.00006 0.00008 0.00007 -0.00017 0.00036 0.00000 0.00078 0.00098 0.00091 0.00121 0.00142 0.00135 -0.00000 -0.00009 -0.00040 -0.00049 -0.00000 0.00001 0.00000 0.00009 0.00000 -0.00001 -0.00002 -0.00009 -0.00006 0.00004 -0.00003 0.00000 0.00005 -0.00002 0.00001 -0.00015 -0.00032 -0.00031 -0.00011 -0.00029 -0.00027 -0.00005 -0.00023 -0.00021 -0.00015 0.00007 -0.00010 0.00013 -0.00023 -0.00000 0.00014 0.00014 0.00009 0.00022 0.00022 0.00016 0.00019 0.00019 0.00014 0.00027 0.00024 0.00005 0.00002 -0.00025 -0.00015 -0.00003 0.00007 -0.00042 -0.00036 -0.00036 -0.00029 -0.00051 -0.00044 0.00018 0.00036 0.00011 0.00030 -0.00019 -0.00032 -0.00013 -0.00025 -0.00003 -0.00009 0.00000 -0.00006 -0.00001 -0.00001 -0.00010 -0.00011 0.00003 0.00008 -0.00015 -0.00011 -0.00000 -0.00011 0.00012 0.00001 -0.00001 0.00003 0.00005 0.00009 0.00003 -0.00001 0.00003 -0.00001 -0.00029 -0.00017 -0.00033 -0.00021 0.00028 0.00016 0.00038 0.00026 3.32651 2.57114 2.73741 2.56103 2.49630 2.49290 2.57583 2.17892 2.95153 2.96410 2.90156 2.77970 2.91821 2.06865 2.06505 2.06346 2.05781 2.63603 2.64082 2.85798 2.06623 2.06849 2.63815 2.64215 2.63486 2.04720 2.62544 2.04600 2.63020 2.04839 2.62985 2.05183 2.62852 2.04837 2.63481 2.04764 2.03919 2.04805 2.62665 2.04484 2.62901 2.04573 2.03914 2.10256 1.90987 2.26764 1.78906 1.79544 1.86960 2.00044 1.86804 1.91136 1.87431 1.93488 2.03543 1.87094 1.88643 1.89171 1.91130 1.86023 1.98378 1.90788 1.85813 1.91658 1.89454 1.90062 2.11970 2.08867 2.07400 1.99310 1.91169 1.86785 1.92490 1.90547 1.85495 2.11875 2.09821 2.06491 2.10424 2.09761 2.08129 2.10585 2.10330 2.07385 2.11614 2.08860 2.07774 2.11773 2.08905 2.07629 2.09821 2.08565 2.09931 2.09819 2.08781 2.09717 1.92333 2.14715 2.21268 2.08536 2.10082 2.09701 2.07819 2.10763 2.09716 2.07540 2.11129 2.09647 2.00704 2.12366 2.15248 2.08521 2.08480 2.11316 3.15106 3.09607 3.07219 0.00724 -1.74595 2.38924 0.33884 1.30135 -0.84666 -2.89705 -0.00842 3.12650 -3.06385 0.07107 -0.00398 3.13227 0.00553 -3.12908 -0.00086 -3.13701 3.04413 0.92123 -1.07791 -1.11486 3.04542 1.04629 1.03831 -1.08459 -3.08373 3.05212 -1.08784 0.98818 0.87289 3.01613 -1.19104 -1.22945 0.91379 2.98980 2.34899 -0.83627 -1.83296 1.26496 0.23208 -2.95318 1.29032 -0.87819 -2.88207 -2.88092 1.23376 -0.77012 -0.85802 -3.02653 1.25277 3.12269 -0.02892 0.02441 -3.12720 -3.13435 0.02832 -0.03528 3.12739 -1.81610 1.26940 0.34533 -2.85236 2.37730 -0.82038 3.04853 -0.05249 -0.03801 -3.13903 -3.05255 0.07235 0.03466 -3.12362 0.00141 3.13761 -3.13026 0.00594 0.02034 -3.11459 3.14122 0.00628 0.00995 -3.11039 3.11122 -0.00912 -0.00331 3.13079 -3.12833 0.00577 -0.01674 3.12534 3.13029 -0.01082 0.00595 -3.13613 3.14085 -0.00123 -3.11253 0.02278 0.00795 -3.13993 3.10929 -0.02602 -0.02487 3.12300 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000034 0.000005 0.002948 0.000470 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -4.766999e-08 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 662 A 638 A 638 1017 662 88 88 2146.0571707799 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 -0.0545436395 0.000000 8.689737 0.000000 8.577188 1.360560 0.000000 9.968746 2.193528 2.263745 0.000000 8.485527 3.795353 5.003851 4.725156 0.000000 6.975415 2.526359 3.419128 4.385485 2.623325 0.000000 6.756038 3.839753 4.669615 5.860855 3.410672 1.561865 0.000000 8.140436 1.448590 2.438871 3.608213 3.423419 1.568506 2.518275 0.000000 5.890231 2.911571 3.267888 4.403934 3.501209 1.535439 2.606778 2.535024 0.000000 6.059262 5.150076 5.962004 6.997322 3.712130 2.643100 1.544271 3.955564 3.245075 0.000000 4.551282 5.729077 6.269923 7.473924 4.657829 3.314831 2.566351 4.705363 3.199545 1.512334 0.000000 7.731706 3.031549 4.176725 4.383913 1.153032 1.470967 2.438950 2.450240 2.475858 3.019842 3.904253 0.000000 6.031516 3.409052 3.689674 4.215629 3.498089 2.557049 3.781007 3.504482 1.394924 4.125580 3.940833 2.808881 0.000000 5.147769 3.619355 3.540671 5.189394 4.847525 2.536676 3.076006 3.185388 1.397470 3.691829 3.254789 3.769712 2.403935 0.000000 4.019156 6.018911 6.494224 7.449625 4.667764 3.759485 3.531194 5.265125 3.231007 2.536901 1.396070 4.074606 3.462350 3.448216 0.000000 4.018462 6.389107 6.731076 8.249546 5.919361 4.169573 3.248245 5.317718 3.932230 2.523998 1.398158 5.053811 4.835973 3.472206 2.398995 0.000000 5.463829 4.414452 4.313083 4.887807 4.827815 3.839435 4.931187 4.675712 2.422375 5.136608 4.582628 4.198218 1.394315 2.778102 3.852197 5.267005 0.000000 4.459485 4.583218 4.194369 5.756466 5.876061 3.822370 4.406670 4.441976 2.421365 4.784859 3.995662 4.889887 2.779010 1.389318 3.827565 4.038225 2.405769 0.000000 9.537121 1.355259 2.216860 1.319192 3.603065 3.322049 4.738296 2.540702 3.709432 5.897688 6.549947 3.228648 3.760418 4.663385 6.658553 7.389009 4.755605 5.502319 0.000000 4.640019 4.927166 4.549273 5.629341 5.873366 4.338869 5.187841 5.066553 2.803678 5.415220 4.604232 5.067607 2.414758 2.413304 4.016998 4.917155 1.390942 1.394282 5.548706 0.000000 2.727295 6.854560 7.097858 8.154919 5.896816 4.828217 4.698024 6.237954 3.946768 3.819070 2.429402 5.277041 3.999704 3.799724 1.391822 2.781762 3.896304 3.678771 7.531057 3.727813 0.000000 2.728019 7.188092 7.320972 8.901522 6.940346 5.159618 4.489331 6.285833 4.547344 3.811462 2.432157 6.074007 5.247461 3.826082 2.784576 1.391656 5.314119 3.904157 8.192894 4.695940 2.421473 0.000000 9.374887 2.091558 1.320992 1.363076 5.393818 4.355143 5.754834 3.479146 4.113169 6.964667 7.263012 4.783446 4.118961 4.545945 7.304210 7.834883 4.584734 4.981442 2.097473 5.005906 7.862667 8.366156 0.000000 1.760213 7.377172 7.469991 8.835266 6.911146 5.417663 5.072236 6.674252 4.529922 4.301034 2.791549 6.147529 4.859193 3.955250 2.397803 2.396746 4.663307 3.699518 8.234968 4.090019 1.389986 1.391211 8.356772 0.000000 7.797460 4.033599 5.029463 6.057689 3.432254 2.156052 1.094683 2.636950 3.510608 2.156257 3.471053 2.657384 4.619073 4.066042 4.475690 4.117372 5.862063 5.430558 4.831108 6.204079 5.709801 5.432470 6.084296 6.093454 0.000000 6.477860 4.053321 4.622680 6.180089 4.427486 2.166393 1.092780 2.726713 2.833882 2.169347 2.738942 3.378130 4.177345 2.786280 3.855262 2.928798 5.146954 4.092248 5.164936 5.116504 4.804680 4.094221 5.838136 4.883008 1.753695 0.000000 9.000475 2.082604 3.232362 4.014697 3.378139 2.194066 2.758754 1.091939 3.479936 4.189142 5.215357 2.631014 4.387931 4.197761 5.885499 5.873812 5.644574 5.497548 2.811698 6.118773 6.984935 6.977559 4.126411 7.451871 2.420204 3.105991 0.000000 7.927140 2.044013 2.478386 4.202078 4.430407 2.175435 2.690250 1.088948 2.818748 4.187205 4.772531 3.383152 3.990905 2.962053 5.480749 5.097197 4.977011 4.198071 3.343395 5.069989 6.325452 5.996347 3.732843 6.534858 2.893134 2.442100 1.774335 0.000000 6.545221 5.283768 6.232293 6.919283 3.022415 2.825736 2.170059 4.228101 3.494351 1.093402 2.151655 2.634919 4.066421 4.263447 2.651457 3.409047 5.155014 5.302103 5.794068 5.688662 4.038639 4.577159 7.086191 4.810888 2.552990 3.066945 4.366143 4.705536 0.000000 6.540331 5.947747 6.786439 7.884991 4.475444 3.527992 2.138247 4.636594 4.267361 1.094600 2.138497 3.882098 5.213333 4.573270 3.320326 2.731026 6.209503 5.671923 6.730683 6.407248 4.508777 4.090433 7.848346 4.801454 2.344602 2.540202 4.693169 4.764636 1.750657 0.000000 6.851269 3.497053 4.038992 4.001899 2.792212 2.766281 4.072524 3.696553 2.153836 4.358694 4.426545 2.428548 1.083329 3.390996 3.891442 5.512576 2.143323 3.862263 3.479366 3.390264 4.595668 6.044775 4.258871 5.626016 4.740468 4.692332 4.392272 4.422967 4.034909 5.433712 0.000000 5.408759 3.859339 3.794897 5.692351 5.287755 2.736923 2.823876 3.142835 2.159028 3.600662 3.284040 4.150351 3.392111 1.082696 3.869698 3.185336 3.860630 2.133752 5.072225 3.386001 4.280858 3.672171 4.976120 4.171319 3.731811 2.174743 4.051206 2.608056 4.386788 4.285155 4.297008 0.000000 4.866135 5.855363 6.461419 7.089330 3.962422 3.663566 3.698709 5.220511 3.249741 2.743346 2.149897 3.587546 3.164971 3.861674 1.083960 3.385034 3.696729 4.298119 6.286724 4.226433 2.139416 3.868394 7.131388 3.376643 4.535241 4.279488 5.772394 5.643515 2.420645 3.616985 3.302488 4.434584 0.000000 4.867472 6.533602 6.897935 8.541182 6.280895 4.397039 3.210700 5.328751 4.433720 2.722826 2.153561 5.378443 5.524229 3.916671 3.386522 1.085780 6.072095 4.645839 7.620065 5.691377 3.867509 2.139860 8.092008 3.377511 3.887780 2.674259 5.762822 4.975539 3.749388 2.585468 6.186509 3.340973 4.287902 0.000000 5.956550 5.105692 5.007208 5.173578 5.227393 4.702350 5.852953 5.525892 3.399228 5.960806 5.410053 4.802752 2.146499 3.861989 4.495390 6.172015 1.083949 3.391967 5.197934 2.151794 4.441115 6.149243 5.024260 5.329487 6.741053 6.160906 6.441778 5.926896 5.831598 7.043671 2.457394 4.944544 4.168813 7.035325 0.000000 4.194281 5.371200 4.832502 6.584899 6.881407 4.679241 5.051396 5.175486 3.398903 5.409899 4.497571 5.856091 3.862523 2.143026 4.449954 4.199008 3.390281 1.083565 6.384865 2.153174 4.086454 3.813967 5.666763 3.732948 6.062747 4.535742 6.215635 4.736303 6.058867 6.178342 4.945788 2.446941 5.088408 4.708402 4.291864 0.000000 9.944820 2.143638 3.244487 2.146906 2.974425 3.445958 4.760360 2.881350 4.109233 5.803849 6.627218 2.915265 4.104033 5.243019 6.731697 7.600237 5.238600 6.174609 1.079085 6.179488 7.732512 8.508842 3.155560 8.546403 4.696825 5.375260 2.832155 3.858374 5.532309 6.585858 3.579055 5.645498 6.233839 7.828479 5.610180 7.114078 0.000000 4.530572 5.888282 5.373436 6.385699 6.877661 5.422592 6.234482 6.112369 3.887383 6.381660 5.436633 6.119565 3.398793 3.395273 4.738922 5.626478 2.152559 2.153249 6.455679 1.083778 4.165925 5.165382 5.704396 4.400061 7.265587 6.113417 7.175308 6.068116 6.654703 7.348418 4.285675 4.277600 4.981240 6.436175 2.485461 2.482981 7.121474 0.000000 2.862603 7.314591 7.512667 8.366638 6.235375 5.457265 5.544016 6.869515 4.445787 4.689459 3.410791 5.738881 4.155474 4.414280 2.156041 3.863797 3.797371 4.068930 7.852996 3.741718 1.082087 3.399426 8.128269 2.148066 6.548634 5.735204 7.648799 7.042283 4.728859 5.436986 4.655753 5.062344 2.471562 4.949523 4.086994 4.519045 8.045733 3.984922 0.000000 2.862909 7.872380 7.895659 9.631994 7.917084 5.978353 5.234724 6.956422 5.376175 4.680170 3.415351 7.002943 6.148946 4.466516 3.867096 2.158461 6.136870 4.438163 8.960333 5.344231 3.399352 1.082559 8.987228 2.149152 6.121643 4.665484 7.645783 6.523674 5.530558 4.815016 7.006284 4.142431 4.950906 2.474529 6.989796 4.089735 9.339919 5.702506 4.288502 0.000000 9.698580 3.132003 2.099171 2.153746 6.407391 5.303217 6.677977 4.463251 4.864153 7.862193 8.028620 5.794355 4.773259 5.100579 8.005083 8.510689 4.960615 5.287836 3.138067 5.226730 8.418798 8.909215 1.079064 8.843448 7.067693 6.668941 5.148852 4.570698 8.025282 8.760943 4.998221 5.546380 7.878323 8.791717 5.305498 5.851600 4.167002 5.752197 8.621083 9.467317 0.000000 C19H17ClN4 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 0 319.6830999999998 AuxInfo=1/0/N:20,17,18,13,14,15,16,21,22,10,7,12,8,23,19,11,9,24,6,1,5,4,3,2/E:(2,3)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,12.2,14.3,15.3,16.3,17.3,18.3,21.1,22.2,23.2/rA:41ClNN2N2N1CCCC3CC3C2C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;s2;;;;s6;s2s6;s6;s7;s10;s5s6;s9;s9;s11;s11;s13;s14;s2s4;s17s18;s15;s16;s3s4;s1s21s22;s7;s7;s8;s8;s10;s10;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4447190 0.1523828 0.1318041 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= 638 RedAO= T EigKep= 1.08D-06 NBF= 638 NBsUse= 635 1.00D-06 EigRej= 8.86D-07 NBFU= 635 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= 657 656 656 656 657 MxSgAt= 41 MxSgA2= 41. 1 Closed 1 1 1 -1413.75253803882 -1413.75253804 1 1.408542615383e+03 -7.599955131962e+03 2.631657351401e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830260911 LenY= 2829822005 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. 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. 12653 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 2831155200 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= 840000000 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 82.52% of shell-pairs survive, threshold= 0.20 IRatSp=83. There are 126 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 123 vectors produced by pass 0 Test12= 4.81D-14 1.00D-09 XBig12= 2.53D+02 4.47D+00. AX will form 123 AO Fock derivatives at one time. 123 vectors produced by pass 1 Test12= 4.81D-14 1.00D-09 XBig12= 6.63D+01 9.10D-01. 123 vectors produced by pass 2 Test12= 4.81D-14 1.00D-09 XBig12= 9.48D-01 6.34D-02. 123 vectors produced by pass 3 Test12= 4.81D-14 1.00D-09 XBig12= 3.74D-03 4.62D-03. 123 vectors produced by pass 4 Test12= 4.81D-14 1.00D-09 XBig12= 9.13D-06 1.89D-04. 120 vectors produced by pass 5 Test12= 4.81D-14 1.00D-09 XBig12= 1.50D-08 7.70D-06. 45 vectors produced by pass 6 Test12= 4.81D-14 1.00D-09 XBig12= 2.27D-11 4.89D-07. 3 vectors produced by pass 7 Test12= 4.81D-14 1.00D-09 XBig12= 2.95D-14 2.05D-08. InvSVY: IOpt=1 It= 1 EMax= 2.84D-14 Solved reduced A of dimension 783 with 126 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 237.25 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 257.378 -29.966 243.909 -21.906 -6.118 210.449 350.756 -67.907 400.969 -57.959 -13.423 407.057 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT70114.300S Mon Jul 12 23:30:56 2021 7.01284089e-01 7.98016232e-01 -1.21430827e+00 2.57378016e+02 -2.99663921e+01 2.43909154e+02 -2.19064862e+01 -6.11804785e+00 2.10449099e+02 -4.5196 -2.7016 0.0009 0.0012 0.0019 4.0146 15.9084 26.3096 40.0582 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 15.9008 26.3081 40.0564 48.4072 62.6002 71.6382 80.5436 91.1751 123.1289 127.3365 141.8764 170.3101 197.9476 255.2305 258.5764 282.5023 294.5488 362.5986 371.8215 383.4804 398.6428 409.2447 409.7465 421.6207 433.4870 454.3645 526.6159 546.4783 605.4854 632.5129 637.1076 641.1875 648.2835 666.3324 691.0147 704.1595 709.6321 730.3037 756.5539 775.3837 794.6061 823.8232 833.3067 849.4689 852.3834 864.1541 901.1603 919.3486 927.5804 948.3911 962.0613 974.0046 978.6323 986.0712 996.2442 1008.3069 1019.1956 1023.2116 1032.7275 1037.8954 1055.0883 1071.5974 1088.6487 1102.6295 1124.7101 1144.5238 1162.1910 1182.9142 1194.1471 1196.5473 1213.8000 1223.4198 1224.9517 1228.8717 1247.6897 1302.7981 1310.2976 1320.4656 1331.6222 1338.5950 1355.5789 1363.0074 1367.2065 1385.0287 1396.3403 1399.8018 1442.2501 1452.4741 1480.8017 1481.8649 1494.5388 1498.3708 1524.4568 1530.3254 1541.1516 1614.4976 1626.8613 1637.7971 1645.3085 2342.5166 3027.8036 3037.8852 3065.9529 3071.0052 3083.7516 3135.1267 3152.3293 3165.2717 3173.5015 3173.8273 3182.0799 3188.9391 3195.6984 3196.1532 3202.6478 3247.6011 3251.9301 7.3462 10.3934 6.9140 4.6739 4.8973 4.0744 5.0447 5.2742 7.1704 9.5330 6.3861 6.4784 5.2575 4.0064 4.8209 5.9147 3.2199 3.0820 7.0170 3.1425 3.6565 3.0332 2.9328 2.9171 7.0336 3.4005 3.4414 2.6951 4.8993 5.4729 5.6719 4.1710 6.5098 4.2403 3.5038 2.8807 2.1362 3.4709 4.2384 2.2871 4.1734 1.7069 1.2562 1.2638 2.3390 1.4140 1.4047 1.7755 1.5894 2.3002 1.4164 5.8664 1.3692 1.4053 2.7984 1.3297 6.0748 4.7948 3.9355 3.8053 2.8796 2.7324 2.3046 3.0641 1.6246 1.4359 2.0368 1.8054 1.3375 1.5185 1.1470 1.8597 1.3305 1.5631 1.8355 1.8202 2.7054 2.8435 4.2068 1.6002 2.0344 1.4196 1.3885 1.7317 2.0177 1.5217 2.4346 2.8890 1.1804 2.1622 1.1029 1.1054 2.2815 2.1178 3.9878 6.5531 5.4688 5.6029 5.3768 12.6915 1.0641 1.0610 1.0641 1.1011 1.0995 1.1034 1.0892 1.0857 1.0886 1.0887 1.0911 1.0941 1.0981 1.0936 1.0942 1.0959 1.1016 0.0011 0.0042 0.0065 0.0065 0.0113 0.0123 0.0193 0.0258 0.0640 0.0911 0.0757 0.1107 0.1214 0.1538 0.1899 0.2781 0.1646 0.2387 0.5716 0.2723 0.3424 0.2993 0.2901 0.3055 0.7787 0.4136 0.5623 0.4742 1.0583 1.2900 1.3564 1.0103 1.6119 1.1092 0.9858 0.8416 0.6338 1.0907 1.4293 0.8102 1.5525 0.6825 0.5139 0.5373 1.0013 0.6221 0.6721 0.8842 0.8057 1.2190 0.7724 3.2790 0.7726 0.8051 1.6364 0.7965 3.7179 2.9577 2.4730 2.4151 1.8887 1.8486 1.6093 2.1949 1.2108 1.1082 1.6209 1.4885 1.1237 1.2809 0.9957 1.6400 1.1763 1.3907 1.6835 1.8202 2.7367 2.9211 4.3950 1.6894 2.2025 1.5538 1.5292 1.9573 2.3179 1.7567 2.9837 3.5910 1.5251 2.7974 1.4515 1.4622 3.1239 2.9221 5.5806 10.0640 8.5279 8.8549 8.5757 41.0325 5.7475 5.7692 5.8934 6.1184 6.1601 6.3898 6.3772 6.4086 6.4592 6.4613 6.5096 6.5554 6.6073 6.5820 6.6124 6.8100 6.8637 0.8558 0.1906 0.6324 0.2812 0.5852 0.1023 0.8740 2.7804 2.6600 3.5125 0.4797 2.6499 0.7304 0.3849 0.3826 0.0043 0.2001 0.7789 5.2280 0.5447 2.5349 0.3169 0.1163 0.0273 1.0358 3.9131 19.9201 17.1476 2.7735 6.1833 4.4176 5.9303 2.0087 15.3054 27.4056 9.6168 49.9229 1.6142 1.9567 13.9929 4.5638 32.5437 1.3223 0.4712 24.1746 16.1796 5.1198 6.2323 1.0358 10.2215 1.7006 5.9159 0.8527 0.0927 0.8602 0.1607 1.4630 18.3712 31.0236 6.4187 2.0519 0.6508 11.4625 53.4190 1.5549 5.0982 30.5684 0.8012 1.3792 1.2658 1.3888 0.6896 1.5077 23.7338 4.3919 4.0564 32.9127 0.1699 0.7979 0.3032 3.1080 12.6860 3.7797 3.9299 10.0378 1.4143 5.4493 19.0182 0.8374 8.9709 15.3110 10.4621 56.5984 12.8073 58.3890 0.6883 0.8184 7.6889 1.7751 7.3654 11.7828 32.9853 16.2382 15.0653 17.7752 3.2693 10.0765 0.8761 5.3160 0.9138 10.1555 11.1249 5.0783 2.9031 0.8776 1.0526 3.0001 -0.08 -0.01 0.19 -0.01 0.00 0.08 -0.04 0.01 0.06 0.08 -0.01 0.17 0.18 -0.04 0.04 0.03 -0.00 -0.04 -0.02 0.01 -0.09 -0.03 0.01 0.04 0.03 -0.01 -0.11 -0.01 0.06 -0.13 -0.02 0.05 -0.05 0.11 -0.02 -0.00 0.01 -0.08 -0.15 0.03 0.03 -0.13 -0.09 0.08 -0.02 0.03 0.01 -0.01 -0.01 -0.10 -0.21 0.01 0.01 -0.19 0.07 -0.01 0.14 -0.00 -0.05 -0.23 -0.11 0.06 0.05 0.01 -0.01 0.07 0.01 -0.00 0.11 -0.06 0.02 0.09 -0.04 -0.01 -0.09 -0.03 -0.00 -0.09 -0.04 0.01 0.09 -0.10 0.03 0.01 -0.01 0.14 -0.15 -0.00 0.02 -0.21 0.01 -0.11 -0.13 0.04 0.08 -0.11 -0.13 0.12 -0.05 0.08 -0.01 -0.03 -0.02 -0.14 -0.23 0.01 0.05 -0.21 0.11 -0.02 0.17 -0.02 -0.07 -0.28 -0.16 0.08 0.08 0.05 -0.04 0.10 0.00 0.00 0.12 0.27 0.18 0.06 -0.10 0.04 0.02 -0.17 -0.01 0.10 -0.26 0.22 0.03 0.01 -0.08 -0.02 -0.01 -0.07 -0.03 0.00 -0.08 -0.02 -0.02 -0.05 -0.02 -0.02 -0.08 -0.04 -0.01 -0.09 -0.00 0.01 -0.07 -0.01 -0.00 -0.08 -0.02 -0.03 -0.10 -0.05 -0.02 -0.07 -0.04 0.02 -0.08 -0.02 0.05 -0.01 0.01 -0.04 -0.10 -0.06 -0.02 -0.07 -0.05 -0.16 0.17 -0.02 -0.03 -0.09 -0.06 0.09 -0.02 -0.00 0.12 0.05 0.02 -0.26 0.11 0.10 0.15 0.06 0.02 0.01 -0.08 -0.02 0.01 -0.08 -0.02 0.04 -0.01 -0.07 -0.03 -0.11 -0.01 -0.01 -0.11 -0.00 -0.01 -0.08 0.02 -0.04 -0.10 -0.05 -0.01 -0.06 -0.04 -0.01 -0.13 -0.03 0.04 -0.01 0.01 -0.04 -0.11 -0.07 -0.02 -0.07 -0.06 -0.12 0.23 -0.09 -0.03 -0.09 -0.07 0.11 -0.01 -0.00 0.16 0.11 0.04 -0.33 0.11 0.16 0.15 0.08 0.04 -0.01 0.02 0.01 -0.04 0.10 -0.15 0.19 -0.17 0.04 0.06 0.11 0.03 -0.03 0.05 0.02 0.00 0.00 -0.01 -0.06 0.08 0.05 -0.08 0.02 0.02 0.03 -0.03 -0.04 0.01 -0.05 -0.04 0.02 0.08 0.02 -0.12 0.03 0.02 -0.12 -0.02 0.02 0.01 -0.04 -0.03 0.01 -0.05 -0.04 -0.20 -0.02 0.02 -0.20 -0.07 0.01 0.13 -0.14 0.12 -0.24 -0.06 0.01 0.04 -0.01 -0.02 0.04 -0.03 -0.02 0.08 -0.02 -0.13 0.06 0.00 -0.00 0.03 0.02 -0.03 -0.02 -0.03 -0.01 -0.09 0.07 0.13 -0.09 0.15 0.02 0.05 -0.01 -0.03 0.04 -0.04 -0.05 -0.09 0.06 0.02 -0.10 -0.03 0.02 0.01 -0.04 -0.04 0.00 -0.07 -0.05 -0.23 -0.01 0.01 -0.24 -0.11 0.01 0.18 -0.22 0.25 -0.31 -0.10 0.00 0.06 0.01 -0.01 0.05 -0.02 -0.01 0.09 -0.00 -0.23 0.01 -0.00 0.07 -0.04 0.00 0.02 -0.15 0.07 -0.13 -0.06 -0.04 -0.06 0.05 -0.02 0.06 -0.02 -0.01 0.03 -0.03 -0.01 0.00 -0.04 0.01 0.05 0.00 -0.00 0.01 -0.00 -0.02 -0.03 -0.01 -0.03 -0.03 0.02 -0.01 0.04 0.16 0.05 0.05 -0.09 -0.03 -0.04 0.03 0.04 0.01 -0.05 -0.10 -0.05 0.23 0.09 0.05 -0.02 0.01 -0.05 0.01 -0.06 0.06 0.15 0.07 -0.00 0.04 0.05 0.03 -0.05 -0.09 -0.02 -0.16 0.04 -0.17 0.00 -0.02 0.02 -0.03 -0.01 0.01 -0.05 -0.02 -0.00 -0.03 0.02 0.08 -0.06 0.04 0.03 0.02 0.01 -0.03 0.00 -0.03 -0.06 0.23 0.08 0.10 -0.22 -0.07 -0.08 0.07 0.10 0.02 -0.09 -0.16 -0.08 0.36 0.14 0.09 -0.09 -0.01 -0.09 0.10 -0.12 0.17 0.21 0.10 -0.00 0.08 0.11 0.07 -0.08 -0.15 -0.03 -0.24 0.08 -0.29 0.06 -0.00 0.04 -0.02 0.03 -0.03 0.16 -0.03 0.11 0.05 0.00 0.02 -0.12 -0.00 -0.02 -0.05 0.04 -0.01 -0.02 0.04 0.03 -0.04 0.05 -0.03 -0.04 0.04 -0.03 0.00 -0.05 0.06 -0.02 -0.08 0.02 -0.08 0.02 -0.01 0.09 0.08 -0.00 -0.16 0.02 -0.10 0.02 -0.05 0.03 -0.06 -0.11 0.01 0.11 0.08 -0.04 -0.14 0.02 -0.14 -0.07 0.05 -0.08 -0.01 0.05 -0.11 0.04 -0.03 0.03 -0.04 -0.09 0.00 0.19 -0.04 0.14 0.01 -0.05 0.02 0.02 0.07 0.07 -0.03 0.06 0.02 -0.05 0.04 -0.01 -0.03 0.07 -0.03 0.01 -0.08 0.07 0.04 -0.04 0.10 0.18 0.10 0.05 -0.27 -0.01 -0.13 0.04 -0.03 0.05 -0.09 -0.13 -0.01 0.22 0.11 -0.01 -0.24 -0.01 -0.20 -0.20 0.09 -0.18 0.00 0.05 -0.14 0.07 -0.00 0.05 -0.06 -0.10 -0.01 0.31 -0.09 0.24 -0.00 0.02 0.02 0.02 -0.00 0.00 0.08 -0.01 0.03 -0.07 0.01 -0.09 0.04 -0.04 0.07 0.02 0.00 0.04 -0.01 0.02 0.03 0.02 0.01 0.04 0.03 -0.00 0.02 0.01 0.03 -0.01 0.01 0.02 -0.02 0.03 -0.02 0.05 -0.05 -0.05 -0.01 0.07 0.03 0.04 0.13 0.16 0.04 -0.13 -0.13 -0.09 -0.10 -0.08 -0.04 0.02 0.00 0.01 -0.06 0.02 -0.07 -0.07 -0.06 -0.03 0.13 0.16 0.05 -0.14 -0.13 -0.08 0.02 -0.00 -0.03 -0.00 0.01 -0.01 -0.02 0.01 0.06 -0.03 0.04 0.01 0.02 0.01 0.05 0.03 0.03 0.03 0.04 0.05 -0.00 0.01 0.02 -0.03 -0.09 -0.08 -0.02 0.13 0.07 0.07 0.23 0.27 0.09 -0.23 -0.24 -0.15 -0.17 -0.13 -0.07 0.06 0.03 0.03 -0.12 0.03 -0.11 -0.11 -0.08 -0.05 0.24 0.28 0.11 -0.25 -0.26 -0.14 0.05 -0.01 -0.02 0.06 -0.02 0.01 -0.05 0.03 -0.01 -0.10 0.04 -0.05 0.10 -0.02 0.13 -0.12 -0.00 -0.05 -0.06 0.02 -0.04 -0.03 0.02 0.01 -0.05 0.02 -0.05 -0.05 0.03 -0.04 -0.01 -0.07 0.04 -0.02 -0.09 0.01 -0.08 0.01 -0.04 -0.14 -0.03 -0.09 0.11 0.13 0.01 0.02 -0.06 0.02 -0.06 -0.12 -0.01 -0.05 0.01 -0.07 0.21 0.19 0.05 0.07 -0.01 0.09 0.13 0.13 0.01 0.05 -0.04 0.02 -0.04 -0.10 -0.02 -0.01 0.01 0.04 0.02 -0.06 0.00 0.00 0.06 0.06 -0.06 0.07 -0.02 -0.05 0.02 -0.06 -0.05 -0.01 -0.04 -0.01 -0.11 0.05 0.02 -0.06 0.09 -0.27 -0.11 -0.14 0.18 0.18 0.05 0.05 -0.05 0.03 -0.10 -0.15 -0.03 -0.12 -0.04 -0.10 0.36 0.28 0.10 0.13 -0.02 0.13 0.22 0.18 0.04 0.09 -0.01 0.03 -0.07 -0.12 -0.03 -0.02 0.02 0.04 -0.04 0.01 -0.05 0.05 -0.01 -0.04 -0.12 -0.00 -0.07 0.11 0.07 0.14 -0.16 -0.02 -0.14 0.05 -0.03 -0.05 0.06 -0.00 0.01 0.09 -0.07 -0.10 0.05 -0.02 -0.02 -0.02 0.01 0.11 0.01 0.05 0.11 -0.05 -0.03 -0.09 0.07 0.01 -0.00 -0.02 -0.07 -0.04 0.09 0.09 0.12 -0.07 0.01 0.06 0.01 -0.02 -0.01 -0.08 -0.11 -0.05 0.18 0.04 0.08 -0.08 -0.09 -0.04 0.10 0.09 0.08 -0.08 0.01 0.02 -0.08 0.05 0.04 -0.00 0.04 0.03 0.05 -0.02 -0.03 0.14 0.01 0.03 0.13 -0.05 -0.21 0.13 -0.17 -0.06 -0.09 -0.06 0.11 -0.03 0.05 0.19 0.13 0.05 0.01 -0.03 -0.09 -0.05 0.15 0.12 0.15 -0.13 -0.02 0.05 0.02 -0.00 0.00 -0.15 -0.16 -0.07 0.33 0.04 0.13 -0.14 -0.13 -0.05 0.16 0.12 0.09 -0.15 -0.02 -0.02 -0.18 0.06 0.04 -0.00 0.09 -0.05 -0.06 0.09 -0.14 0.01 0.05 -0.05 0.12 0.06 0.04 0.39 -0.05 0.08 -0.02 -0.05 -0.09 0.01 -0.05 -0.04 -0.02 0.06 -0.10 -0.06 -0.08 -0.08 -0.09 -0.04 0.09 -0.10 -0.04 0.10 0.10 -0.06 -0.04 -0.04 -0.01 -0.04 -0.03 -0.13 -0.03 -0.07 -0.05 0.08 -0.16 -0.03 0.06 0.02 0.04 0.07 0.04 -0.08 0.07 0.02 0.09 -0.08 0.08 0.02 0.13 -0.05 -0.03 0.04 -0.15 -0.02 0.01 0.11 0.03 0.05 -0.09 0.00 0.01 0.01 -0.07 -0.11 0.11 -0.06 -0.00 0.02 0.09 -0.05 -0.03 0.10 -0.12 -0.17 -0.09 0.07 -0.06 -0.01 0.16 -0.07 0.01 -0.07 -0.05 -0.19 -0.07 -0.05 -0.06 0.10 -0.21 -0.04 0.07 0.04 0.11 0.11 0.07 -0.10 0.11 -0.01 0.12 -0.12 0.15 0.07 0.21 -0.00 -0.03 0.03 -0.19 -0.01 -0.01 0.18 0.00 0.13 0.01 -0.01 -0.07 0.01 -0.13 0.07 -0.01 -0.12 0.05 -0.14 -0.08 -0.06 0.24 0.56 -0.17 -0.02 -0.01 -0.00 0.01 -0.02 0.01 -0.03 -0.09 0.03 0.00 0.01 -0.01 -0.04 -0.06 0.12 -0.02 -0.04 0.13 0.05 0.16 -0.05 0.01 -0.02 -0.04 0.01 0.06 -0.03 0.04 -0.03 0.13 -0.05 -0.01 0.11 0.01 -0.03 -0.09 0.02 0.06 -0.08 -0.07 -0.10 0.00 0.02 0.02 -0.11 0.07 -0.01 0.08 -0.04 0.01 0.06 -0.09 -0.09 -0.02 0.02 0.00 0.04 0.03 -0.02 -0.03 0.07 -0.03 0.03 -0.08 -0.13 0.01 -0.04 -0.11 0.03 -0.11 -0.11 0.11 -0.02 -0.02 0.20 0.00 -0.04 -0.02 -0.00 0.09 -0.02 0.08 -0.05 0.15 -0.10 -0.01 0.12 0.02 -0.07 -0.11 0.03 0.10 -0.10 -0.08 -0.10 -0.01 0.02 0.01 -0.14 0.12 -0.01 0.07 -0.08 0.02 0.03 -0.13 -0.08 -0.05 -0.06 -0.12 -0.04 -0.15 0.05 -0.04 -0.03 0.05 -0.01 0.01 -0.07 0.03 0.03 -0.06 0.02 -0.09 -0.03 -0.05 -0.00 -0.10 -0.06 -0.15 0.07 0.00 -0.12 -0.05 -0.06 -0.02 -0.07 -0.03 0.08 0.03 0.02 -0.02 -0.03 -0.02 -0.09 -0.02 -0.04 -0.09 -0.04 -0.04 0.17 0.12 0.06 0.13 0.08 0.04 -0.01 0.03 0.01 -0.01 0.00 0.00 -0.12 -0.02 -0.01 0.04 0.05 0.03 0.22 0.17 0.08 0.17 0.11 0.07 0.06 -0.03 0.03 0.17 0.10 0.06 0.04 -0.08 -0.13 0.03 -0.16 -0.02 -0.14 0.09 0.12 -0.22 0.15 -0.05 -0.05 -0.09 -0.03 -0.07 -0.05 -0.02 -0.12 -0.03 -0.05 -0.13 -0.08 -0.06 0.18 0.12 0.06 0.12 0.05 0.03 0.02 0.05 0.02 0.01 0.01 0.02 -0.19 -0.03 -0.02 0.12 0.10 0.07 0.25 0.20 0.10 0.16 0.11 0.06 0.17 -0.05 0.06 -0.02 0.04 0.01 -0.08 0.15 0.00 0.04 0.17 -0.01 0.06 -0.01 -0.01 -0.20 0.23 -0.17 0.04 -0.09 0.09 0.02 -0.11 0.03 -0.03 0.13 0.12 -0.01 -0.15 0.03 -0.00 0.01 -0.03 -0.00 0.03 -0.02 0.02 -0.02 0.05 0.02 -0.19 0.02 0.00 -0.13 0.02 -0.03 0.02 -0.02 -0.02 0.01 -0.03 0.09 -0.16 0.00 0.08 -0.10 0.01 -0.06 0.05 0.02 0.14 -0.11 0.00 -0.05 0.00 -0.03 -0.04 -0.01 -0.03 0.12 0.08 -0.02 -0.05 0.00 -0.02 -0.01 -0.15 -0.03 0.03 -0.17 0.06 0.05 0.19 0.29 -0.10 0.25 0.06 0.02 0.07 -0.04 -0.04 -0.01 -0.11 0.01 -0.23 0.03 -0.02 -0.12 0.02 -0.04 0.03 -0.03 -0.02 0.01 -0.03 0.12 -0.18 -0.00 0.09 -0.05 -0.01 -0.14 0.02 0.03 0.21 -0.07 -0.00 -0.06 -0.00 -0.03 -0.04 -0.02 -0.03 0.23 0.06 -0.04 0.02 0.03 -0.05 0.03 0.02 0.20 0.06 0.07 0.10 -0.10 -0.08 -0.06 -0.09 -0.13 -0.10 0.09 0.04 -0.10 0.08 0.01 -0.13 -0.08 0.08 0.11 0.08 0.03 -0.13 0.01 0.01 -0.00 -0.01 -0.01 0.08 0.12 0.00 -0.08 0.02 0.11 -0.10 0.09 -0.05 -0.08 -0.01 -0.02 0.07 -0.04 -0.02 0.07 -0.04 0.10 0.00 0.04 -0.07 0.03 -0.08 -0.07 0.11 -0.04 0.00 0.06 -0.02 -0.04 0.05 -0.06 -0.03 0.04 -0.01 0.01 -0.06 -0.04 -0.03 0.04 0.10 0.00 -0.22 0.17 -0.04 -0.08 -0.12 0.07 0.31 -0.28 0.17 0.02 -0.09 -0.00 -0.03 0.07 0.01 0.05 0.01 0.17 -0.14 0.15 -0.11 -0.11 -0.00 -0.03 0.08 -0.05 -0.02 0.07 -0.10 0.16 0.03 0.05 -0.15 0.08 -0.13 -0.13 0.18 -0.08 -0.01 0.13 -0.01 -0.04 0.04 -0.08 -0.03 0.03 0.01 0.03 -0.18 -0.02 -0.04 0.10 -0.10 0.03 -0.02 -0.05 0.03 -0.01 -0.00 -0.05 0.03 0.04 0.05 -0.05 -0.01 -0.02 -0.03 -0.07 0.12 0.11 -0.05 0.01 -0.00 0.09 0.01 -0.08 -0.03 -0.02 0.16 -0.00 0.00 -0.04 -0.01 -0.08 -0.01 0.10 0.08 -0.05 0.14 -0.03 -0.03 0.04 -0.02 -0.06 -0.01 0.04 -0.06 0.00 0.04 0.02 0.04 -0.08 0.03 -0.08 -0.02 0.00 -0.07 -0.07 0.03 0.04 0.00 -0.10 0.02 0.05 -0.09 0.01 -0.02 0.02 0.04 0.02 -0.10 -0.09 0.15 0.32 -0.11 0.31 0.02 -0.02 0.04 0.05 -0.09 0.03 -0.02 -0.00 -0.24 0.22 -0.08 0.09 0.34 0.12 0.14 -0.06 0.23 -0.04 -0.03 0.06 -0.05 -0.05 -0.03 0.06 -0.04 -0.04 0.10 0.04 0.04 -0.14 0.06 -0.12 -0.03 0.00 -0.19 -0.13 0.04 0.06 -0.02 -0.12 0.01 0.08 -0.11 0.07 -0.04 0.03 0.02 0.00 -0.09 -0.14 0.06 -0.09 -0.07 0.05 -0.06 0.04 -0.04 0.04 0.01 -0.01 0.02 -0.02 -0.01 0.01 -0.06 -0.04 -0.08 -0.03 0.00 -0.01 0.11 0.06 0.08 -0.04 -0.04 -0.13 -0.06 -0.06 0.00 -0.01 0.02 -0.00 0.19 0.08 0.10 0.19 0.11 0.10 -0.05 -0.02 0.04 -0.01 -0.06 0.04 0.05 -0.02 0.01 0.05 0.02 0.01 -0.09 0.01 -0.04 -0.13 -0.11 -0.07 -0.01 0.00 0.09 0.02 -0.01 0.10 0.04 -0.01 0.02 0.01 -0.00 0.10 -0.05 -0.04 -0.09 -0.11 -0.08 -0.08 0.04 0.05 -0.02 -0.01 -0.01 -0.00 -0.05 0.10 -0.17 0.02 -0.11 -0.23 0.28 0.10 0.15 0.28 0.17 0.15 -0.08 -0.01 0.02 -0.00 -0.08 0.02 0.02 -0.05 -0.01 0.02 0.03 -0.01 -0.13 0.01 -0.05 -0.33 -0.23 -0.18 -0.02 0.03 0.11 0.05 -0.01 0.12 0.13 -0.04 0.07 0.07 0.03 0.03 -0.16 -0.00 -0.08 -0.12 -0.03 -0.04 -0.01 -0.09 0.06 0.02 -0.04 0.00 -0.00 0.00 -0.02 0.15 -0.06 -0.00 -0.06 -0.01 -0.03 -0.02 0.01 0.03 0.11 0.12 0.05 0.19 0.21 0.09 -0.00 0.03 -0.04 0.00 0.01 0.03 -0.01 0.04 0.03 0.12 0.11 0.05 0.11 0.11 0.05 0.01 0.00 -0.00 -0.01 0.04 -0.01 -0.12 -0.05 -0.03 -0.02 0.01 -0.03 -0.09 -0.10 -0.06 -0.11 -0.12 -0.06 -0.01 -0.08 0.05 -0.16 -0.17 -0.09 0.19 -0.08 -0.21 0.28 -0.18 0.09 -0.02 0.01 -0.04 -0.05 -0.03 -0.03 0.05 0.14 0.03 -0.00 0.13 -0.01 0.01 -0.00 0.05 -0.02 0.06 0.03 0.18 0.17 0.08 0.17 0.16 0.07 0.02 -0.02 -0.01 -0.01 0.06 -0.02 -0.16 -0.04 -0.05 -0.03 0.00 -0.05 -0.14 -0.14 -0.08 -0.18 -0.18 -0.09 0.07 -0.10 0.10 0.05 -0.00 -0.08 -0.02 -0.02 -0.04 -0.03 -0.03 -0.01 0.00 -0.01 0.02 -0.01 0.06 -0.01 -0.00 -0.01 0.02 -0.09 0.16 0.12 -0.01 -0.00 -0.00 0.01 -0.02 -0.08 0.08 0.12 -0.07 0.02 0.04 -0.02 -0.02 -0.08 0.05 -0.03 -0.00 -0.08 -0.00 -0.08 -0.07 -0.02 0.05 0.01 0.05 -0.03 0.02 -0.01 0.02 0.01 -0.00 -0.08 0.01 -0.01 -0.01 -0.02 0.03 -0.00 0.06 -0.05 0.00 0.08 0.02 -0.06 0.09 -0.01 -0.03 0.02 -0.02 -0.05 0.10 -0.15 0.18 0.41 -0.25 0.35 -0.01 -0.02 -0.01 0.01 0.01 0.02 -0.00 0.21 0.32 -0.08 0.10 0.01 -0.28 -0.06 0.01 -0.11 0.01 -0.11 -0.09 -0.03 0.11 -0.00 0.12 -0.06 -0.01 -0.03 0.08 0.04 0.00 -0.12 0.04 -0.01 0.01 -0.04 0.07 0.03 0.12 -0.10 0.04 0.12 0.04 -0.10 0.12 -0.01 -0.03 0.05 0.01 -0.00 -0.02 -0.04 0.09 0.12 0.04 0.14 0.06 -0.02 -0.07 -0.03 0.08 -0.04 -0.04 -0.01 -0.00 -0.06 -0.01 0.07 0.01 0.08 -0.09 -0.12 -0.03 -0.01 0.05 0.00 0.02 0.03 0.00 0.02 -0.03 -0.09 -0.00 -0.13 -0.01 -0.05 0.05 -0.04 -0.00 0.04 -0.01 0.03 -0.02 0.02 -0.01 -0.02 0.02 -0.05 0.01 -0.02 0.01 -0.00 -0.08 -0.03 0.10 0.03 -0.01 -0.01 -0.02 0.01 0.02 0.01 -0.02 0.03 0.06 0.03 -0.05 -0.00 -0.01 0.03 -0.04 0.08 0.14 -0.04 0.19 -0.04 0.21 -0.04 -0.51 0.15 -0.51 0.02 0.01 -0.06 0.05 -0.01 0.06 0.09 -0.01 -0.08 0.07 -0.07 0.02 0.05 -0.02 0.05 -0.03 0.04 -0.03 -0.04 0.04 -0.07 -0.01 -0.03 0.04 -0.03 -0.16 -0.10 0.18 0.05 -0.00 -0.03 -0.05 0.02 0.03 0.03 -0.03 0.04 0.14 0.04 -0.14 0.19 -0.17 0.01 0.11 -0.01 0.05 0.10 0.02 0.03 0.01 0.08 -0.05 0.03 0.02 0.01 -0.11 -0.03 -0.03 -0.19 -0.04 -0.07 -0.06 0.04 -0.00 -0.04 -0.02 -0.01 -0.26 0.07 -0.04 -0.10 0.17 0.04 -0.11 -0.05 -0.01 0.04 -0.00 0.01 0.03 0.00 0.02 0.02 0.12 -0.00 -0.01 0.13 0.10 0.03 -0.01 0.01 0.02 -0.01 0.02 0.11 0.04 0.03 -0.03 -0.05 -0.01 -0.02 0.02 -0.06 -0.08 0.00 0.03 0.00 0.07 -0.04 -0.02 -0.14 -0.06 -0.24 -0.09 -0.13 -0.16 -0.08 -0.04 -0.13 0.00 0.12 -0.12 0.14 -0.05 -0.33 0.04 -0.06 -0.33 0.10 -0.03 0.07 0.00 0.03 0.07 0.01 0.03 0.11 0.09 0.06 0.09 0.15 0.09 0.05 0.01 0.02 0.05 0.01 0.02 0.16 0.04 0.04 -0.07 -0.08 -0.03 -0.07 0.08 -0.02 -0.13 0.09 -0.03 -0.06 0.09 -0.08 0.03 -0.06 0.05 -0.05 0.02 -0.02 -0.04 0.01 -0.01 -0.00 -0.04 0.02 -0.02 -0.01 0.01 0.05 0.04 0.01 0.00 0.07 -0.04 0.05 -0.04 -0.01 0.03 0.02 0.02 0.03 0.13 -0.10 -0.08 -0.02 0.12 0.05 0.06 0.01 -0.02 -0.03 -0.01 -0.02 -0.02 -0.00 -0.03 -0.10 0.06 -0.11 0.03 0.10 -0.01 -0.02 -0.01 -0.02 -0.02 -0.01 -0.06 -0.01 -0.01 0.05 0.00 0.02 0.09 0.01 -0.07 -0.05 0.07 -0.06 0.01 -0.02 0.01 0.08 0.06 -0.09 -0.03 0.05 -0.03 -0.01 0.06 -0.04 0.10 -0.02 -0.15 0.11 -0.16 0.05 0.04 0.48 -0.19 0.20 -0.07 -0.38 -0.05 -0.05 -0.02 -0.05 -0.04 -0.01 0.00 -0.24 0.10 -0.18 0.08 0.15 -0.02 -0.03 -0.01 -0.05 -0.03 -0.02 -0.09 -0.02 -0.01 0.09 0.03 0.03 0.19 -0.02 -0.11 -0.15 0.16 -0.14 0.05 -0.03 0.02 0.04 -0.05 -0.02 -0.01 -0.04 -0.04 -0.04 -0.07 -0.02 -0.01 0.00 0.02 0.01 -0.08 -0.06 0.05 0.07 -0.07 0.05 0.17 -0.05 -0.09 0.08 0.02 -0.01 0.00 0.10 -0.01 0.09 0.09 -0.03 0.04 -0.04 0.10 0.12 -0.12 0.01 -0.08 0.09 -0.07 -0.02 0.09 -0.04 0.03 -0.05 -0.06 -0.05 -0.05 0.02 -0.11 0.00 -0.00 0.00 0.02 0.00 -0.01 -0.04 0.06 -0.05 -0.01 -0.04 0.02 0.00 0.02 0.02 0.05 -0.03 -0.04 0.03 0.06 0.04 0.06 0.00 0.15 0.03 0.09 0.27 -0.07 -0.17 0.05 0.31 -0.22 0.33 -0.09 -0.05 -0.15 0.14 0.01 0.20 0.32 0.04 -0.13 0.13 -0.12 -0.01 0.09 -0.07 0.02 -0.07 -0.07 -0.14 -0.11 0.01 -0.16 -0.03 -0.01 0.07 -0.02 0.02 0.02 -0.07 0.10 -0.04 -0.05 -0.13 0.00 0.01 0.04 0.02 0.06 -0.05 -0.04 0.07 -0.04 0.04 0.01 0.05 -0.02 0.02 0.03 -0.02 0.02 -0.01 0.03 -0.01 0.05 -0.03 -0.05 -0.04 -0.01 -0.06 -0.03 0.05 0.02 -0.09 0.06 -0.02 -0.06 -0.02 0.03 0.06 -0.02 -0.05 0.03 -0.05 0.03 -0.05 -0.02 -0.10 -0.08 -0.08 0.01 0.10 0.07 0.10 -0.00 -0.08 0.03 0.08 0.06 0.05 0.14 0.02 0.06 -0.09 -0.04 -0.02 0.04 0.00 0.01 -0.01 -0.05 -0.02 0.08 0.02 0.02 -0.04 -0.05 -0.05 -0.02 0.01 -0.01 -0.03 -0.01 -0.04 -0.03 0.09 0.20 -0.13 0.18 -0.07 -0.16 0.03 0.17 -0.20 0.20 -0.10 0.10 0.13 -0.07 0.11 -0.10 -0.17 -0.16 -0.17 -0.00 0.25 0.19 0.18 -0.03 -0.12 0.01 0.12 0.17 0.12 0.30 0.09 0.11 -0.18 -0.06 -0.08 0.07 0.01 0.01 -0.03 -0.06 -0.06 0.20 0.06 0.03 -0.09 -0.09 -0.07 -0.05 0.02 -0.02 -0.03 0.03 0.01 0.04 -0.01 0.02 0.03 -0.01 0.02 -0.01 0.02 -0.01 0.04 -0.01 -0.05 -0.04 -0.02 -0.04 -0.02 0.02 0.04 -0.06 0.04 -0.02 -0.05 -0.03 0.00 0.06 -0.00 -0.05 0.02 -0.04 0.04 -0.06 -0.06 -0.06 0.15 0.07 0.09 -0.13 -0.06 -0.03 0.03 -0.03 0.05 0.02 0.01 0.03 -0.10 -0.08 -0.04 0.14 0.10 0.07 0.03 0.00 0.01 -0.03 -0.03 -0.02 0.03 -0.02 -0.01 0.00 0.00 -0.03 -0.01 0.01 -0.01 -0.02 -0.01 -0.04 -0.02 0.06 0.17 -0.10 0.11 -0.02 -0.10 0.02 0.11 -0.15 0.13 -0.08 0.11 0.19 -0.08 0.11 -0.10 -0.22 0.34 0.17 0.18 -0.29 -0.13 -0.08 0.06 -0.02 0.07 0.01 0.06 0.07 -0.22 -0.17 -0.09 0.31 0.21 0.13 0.05 0.00 0.02 -0.07 -0.05 -0.05 0.09 -0.04 -0.03 -0.00 0.02 -0.04 -0.04 0.02 -0.02 -0.01 0.01 0.01 0.01 -0.00 0.01 0.01 0.00 0.01 -0.00 0.01 -0.01 0.02 -0.00 -0.02 -0.02 -0.02 -0.02 -0.01 -0.01 0.02 -0.02 0.01 -0.01 -0.02 -0.01 0.00 0.03 0.01 -0.04 0.01 -0.02 0.04 -0.03 -0.03 -0.02 -0.04 -0.02 -0.00 0.04 0.03 0.03 0.15 0.12 0.10 -0.13 -0.13 -0.03 0.04 0.02 0.02 -0.03 -0.01 -0.01 0.01 0.00 0.01 -0.01 -0.00 -0.01 -0.10 -0.14 -0.08 0.12 0.14 0.03 -0.00 0.01 -0.01 0.00 0.00 -0.03 -0.00 0.00 0.05 -0.04 0.02 -0.01 -0.04 0.01 0.03 -0.05 0.04 -0.03 0.05 0.15 -0.07 0.06 -0.06 -0.17 -0.07 -0.05 -0.02 0.09 0.07 0.05 0.32 0.26 0.19 -0.31 -0.26 -0.08 0.10 0.05 0.04 -0.06 -0.02 -0.03 0.02 0.00 0.01 -0.02 -0.01 -0.02 -0.22 -0.31 -0.17 0.25 0.30 0.09 -0.01 0.01 -0.01 -0.03 0.04 0.00 0.02 -0.01 0.02 0.01 -0.01 0.02 -0.01 -0.00 -0.01 -0.05 0.04 0.28 -0.14 0.20 -0.02 0.01 0.07 -0.09 -0.07 0.04 -0.09 -0.01 0.05 -0.08 0.02 -0.03 -0.01 0.03 -0.04 0.00 -0.25 0.34 0.02 0.08 -0.04 -0.12 0.05 -0.14 -0.01 0.06 0.01 0.03 0.04 -0.01 0.00 0.05 -0.08 -0.07 0.08 -0.16 0.06 0.02 -0.01 0.01 0.11 -0.20 0.04 0.01 -0.03 0.00 0.03 -0.00 -0.01 -0.01 -0.00 -0.00 -0.04 -0.03 -0.02 0.15 0.14 -0.24 0.04 -0.10 -0.01 -0.16 -0.03 -0.27 0.02 -0.08 -0.02 -0.02 -0.10 -0.00 0.07 -0.01 0.09 0.10 -0.08 -0.09 0.12 -0.27 -0.07 0.10 0.06 0.05 0.04 0.02 0.02 -0.04 0.01 -0.03 0.09 -0.13 0.04 0.02 -0.02 0.02 0.10 -0.20 0.09 0.03 -0.04 -0.01 0.07 0.02 0.02 -0.02 0.00 -0.01 -0.01 0.04 0.01 -0.02 0.01 -0.02 -0.02 0.01 -0.02 0.01 0.00 0.01 -0.03 -0.03 -0.03 0.06 0.01 0.00 -0.12 0.07 -0.09 0.04 -0.03 0.05 0.07 0.04 0.05 -0.08 -0.13 -0.05 -0.04 -0.09 -0.01 0.16 0.07 0.01 -0.01 -0.02 0.02 -0.04 -0.01 0.00 0.11 0.05 0.06 0.07 0.06 0.04 -0.04 -0.04 -0.01 -0.04 -0.01 -0.01 -0.01 0.01 -0.02 0.06 0.04 0.02 0.02 -0.02 0.01 0.03 0.01 0.00 0.01 -0.00 0.00 -0.15 -0.14 -0.08 -0.16 0.12 0.23 -0.29 0.27 -0.22 0.07 -0.01 0.01 0.07 -0.05 0.06 -0.14 -0.25 -0.04 -0.03 -0.07 0.11 -0.06 -0.05 0.00 -0.13 -0.03 -0.02 0.25 0.20 0.14 0.18 0.20 0.12 -0.10 -0.09 -0.04 -0.10 -0.03 -0.04 -0.02 0.02 -0.03 0.13 0.07 0.04 0.15 0.07 0.04 0.15 0.14 0.07 0.03 -0.01 0.02 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 0.01 0.01 0.00 0.06 0.01 -0.01 0.00 -0.02 -0.00 -0.02 -0.03 -0.00 -0.03 0.01 0.02 0.24 0.14 0.10 -0.01 -0.01 -0.02 0.04 0.03 0.02 -0.20 -0.09 -0.07 0.03 0.01 0.01 0.03 0.02 0.01 0.01 -0.02 0.00 0.01 -0.01 0.00 -0.11 -0.06 -0.04 -0.10 -0.06 -0.04 0.00 0.01 -0.00 0.15 0.09 0.06 -0.00 -0.03 -0.01 -0.00 -0.03 -0.01 0.00 0.01 -0.00 0.04 0.03 0.02 0.00 -0.03 -0.08 -0.01 -0.11 0.03 -0.04 0.02 0.25 -0.16 0.18 -0.07 -0.03 0.01 -0.02 -0.04 -0.01 -0.04 -0.17 -0.09 -0.07 -0.20 -0.11 -0.08 -0.05 -0.08 -0.03 -0.04 -0.07 -0.02 -0.37 -0.21 -0.15 -0.38 -0.22 -0.16 -0.01 0.02 -0.01 0.20 0.12 0.08 -0.06 -0.09 -0.04 -0.07 -0.09 -0.04 -0.01 0.01 -0.01 -0.03 0.02 0.00 -0.00 0.00 -0.00 0.01 0.01 -0.00 0.01 0.01 -0.01 -0.03 -0.01 0.00 -0.02 -0.01 -0.01 -0.11 0.01 -0.06 -0.01 -0.03 0.01 -0.02 -0.01 -0.01 -0.06 -0.05 -0.05 0.14 0.13 0.08 0.09 0.06 0.02 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.05 -0.02 0.02 0.04 -0.01 0.03 0.01 -0.00 0.01 0.01 0.00 0.01 0.01 0.01 -0.00 -0.01 -0.01 -0.00 -0.02 -0.10 -0.03 -0.03 -0.08 -0.03 0.01 0.01 -0.01 0.15 0.11 0.05 -0.13 0.05 0.20 -0.27 0.16 -0.17 0.00 -0.03 -0.07 0.04 -0.08 0.04 -0.15 -0.13 -0.05 -0.16 0.03 0.05 0.02 0.00 0.01 0.00 0.00 0.00 -0.12 -0.23 -0.06 -0.16 -0.22 -0.07 0.02 0.01 0.01 0.03 0.02 0.02 0.03 0.01 0.00 -0.01 -0.01 -0.01 -0.25 -0.35 -0.16 -0.28 -0.33 -0.15 0.01 0.01 -0.00 0.04 -0.04 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.01 0.01 0.00 0.02 -0.10 0.01 0.02 -0.09 0.04 -0.04 -0.17 0.22 0.02 -0.02 0.06 0.04 -0.06 0.01 0.04 -0.12 0.02 0.02 -0.00 -0.01 -0.01 0.34 -0.21 -0.02 0.04 0.03 0.05 -0.04 -0.05 -0.04 0.04 0.02 -0.03 0.06 -0.04 -0.04 0.05 -0.02 0.05 -0.05 -0.08 -0.00 0.01 -0.01 -0.01 0.06 -0.02 -0.06 0.04 0.02 -0.05 0.05 -0.02 0.01 0.00 0.00 -0.04 0.06 0.01 -0.05 -0.11 0.50 -0.17 0.10 0.07 0.04 0.00 0.18 -0.04 0.08 0.01 0.23 0.14 0.01 -0.07 -0.24 -0.30 -0.04 0.10 -0.02 0.00 -0.01 -0.04 -0.10 0.07 -0.03 -0.09 0.07 -0.03 -0.03 -0.00 -0.04 0.04 -0.11 -0.05 0.00 0.02 -0.02 -0.04 0.06 0.06 -0.09 0.02 0.01 -0.07 0.01 -0.02 0.01 0.00 0.00 -0.06 0.06 0.00 0.05 -0.02 0.04 -0.05 0.02 -0.05 0.04 -0.01 0.03 0.03 -0.01 0.01 0.05 -0.03 0.03 -0.05 0.04 -0.03 0.08 -0.03 0.11 -0.03 -0.07 0.07 -0.10 0.16 0.02 -0.05 0.04 -0.01 -0.11 0.03 -0.06 -0.15 0.10 0.12 0.01 -0.16 0.09 0.08 -0.07 -0.07 0.03 -0.08 0.04 -0.01 0.17 -0.12 0.17 -0.12 -0.15 -0.05 0.02 -0.05 -0.03 0.03 -0.10 0.10 -0.06 -0.03 0.06 -0.06 0.06 0.01 0.00 0.01 0.06 -0.10 -0.01 -0.15 -0.07 -0.18 0.07 -0.03 0.04 0.07 -0.02 0.23 0.01 0.08 0.06 -0.13 0.11 0.02 -0.10 0.17 0.05 -0.09 0.10 0.17 -0.02 -0.01 0.16 0.16 -0.11 -0.01 0.14 -0.10 -0.00 0.17 0.11 -0.13 0.25 -0.03 -0.13 -0.16 0.07 -0.15 -0.11 0.03 0.16 0.12 0.01 0.01 0.10 0.01 0.07 0.01 -0.00 0.01 0.04 -0.04 -0.00 -0.07 0.03 -0.06 0.07 -0.03 0.06 -0.05 0.01 -0.04 -0.04 0.03 -0.01 -0.05 0.04 -0.04 0.03 -0.01 0.01 -0.09 0.04 -0.13 -0.04 0.07 0.09 0.08 -0.11 -0.02 0.04 -0.03 0.00 0.13 -0.12 0.13 -0.08 0.15 0.10 0.02 -0.12 0.22 -0.04 0.04 0.05 -0.02 0.07 -0.04 -0.03 0.14 -0.22 0.09 -0.15 -0.09 0.07 -0.03 0.07 0.10 -0.03 -0.07 -0.06 0.03 0.03 -0.05 0.05 -0.04 -0.02 -0.00 -0.01 -0.04 0.08 0.01 0.12 0.08 0.09 -0.05 0.02 -0.03 -0.08 0.03 -0.26 -0.01 -0.08 -0.07 0.09 -0.09 -0.02 0.09 -0.11 -0.02 -0.10 -0.02 0.18 -0.09 -0.10 0.22 -0.10 0.07 -0.00 -0.11 0.08 -0.01 -0.09 0.03 -0.28 -0.05 -0.07 -0.24 0.20 -0.09 0.19 -0.02 -0.06 0.18 -0.09 -0.03 -0.00 -0.08 -0.01 -0.04 -0.02 0.00 -0.02 -0.04 0.04 0.01 -0.09 0.03 -0.08 0.08 -0.02 0.07 -0.05 0.02 -0.05 -0.02 -0.03 -0.03 -0.07 -0.02 -0.00 -0.07 -0.07 0.12 -0.09 -0.00 -0.09 0.02 0.03 -0.00 -0.08 0.14 0.06 -0.03 0.05 -0.04 0.16 0.09 -0.01 0.05 0.01 -0.01 0.03 0.03 0.00 0.11 -0.10 -0.14 -0.03 -0.01 -0.04 -0.02 -0.03 -0.00 -0.04 -0.00 0.01 0.09 -0.02 0.08 0.04 0.01 0.03 0.12 -0.10 0.03 -0.01 -0.00 0.11 -0.01 0.01 -0.02 0.02 -0.11 0.03 -0.10 -0.15 -0.13 0.14 -0.16 0.22 -0.06 0.01 -0.19 -0.01 -0.08 -0.05 0.09 0.36 0.05 -0.14 0.01 -0.23 -0.01 -0.02 -0.04 -0.02 -0.03 -0.03 0.17 -0.08 -0.10 0.11 -0.03 -0.09 -0.13 -0.07 -0.03 -0.14 -0.06 -0.03 0.27 -0.09 0.23 0.02 -0.01 -0.01 0.13 0.02 0.11 0.08 0.06 0.16 -0.01 0.01 -0.02 0.02 -0.03 0.02 0.07 -0.03 0.06 -0.05 0.02 -0.05 0.04 -0.01 0.03 0.01 0.02 0.01 0.03 0.02 -0.01 0.03 0.03 -0.07 0.04 -0.00 0.04 -0.01 0.00 -0.00 0.06 -0.06 -0.07 0.05 -0.00 -0.09 -0.07 -0.06 0.02 -0.01 -0.01 -0.01 -0.02 -0.00 0.00 0.21 -0.10 -0.13 -0.15 0.26 -0.20 0.02 0.00 0.00 0.01 0.01 0.02 -0.06 0.02 -0.05 -0.01 -0.02 -0.01 0.09 -0.22 0.19 -0.26 0.17 0.15 0.01 -0.00 0.01 -0.04 0.03 0.11 0.06 0.08 0.04 -0.09 0.06 -0.13 0.01 -0.02 0.07 0.00 0.01 0.02 0.02 -0.05 -0.09 0.11 -0.07 -0.05 0.01 -0.01 0.01 0.01 0.01 0.01 0.12 -0.00 -0.21 -0.15 0.21 -0.23 0.06 0.04 0.03 0.05 0.05 0.03 -0.18 0.07 -0.16 0.00 -0.01 -0.01 -0.01 -0.22 0.21 -0.23 0.05 0.19 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.18 -0.09 0.17 -0.09 0.07 -0.11 0.11 -0.01 0.06 -0.01 -0.02 -0.06 -0.09 0.04 -0.03 -0.04 -0.07 0.11 -0.09 -0.05 -0.04 -0.04 0.10 -0.01 -0.02 0.00 0.05 -0.00 0.01 0.00 0.15 -0.01 0.01 0.04 0.04 -0.06 -0.02 0.03 0.09 -0.02 0.01 -0.01 0.01 -0.03 0.00 0.01 0.01 -0.08 -0.04 -0.01 0.07 -0.12 0.08 -0.11 0.08 -0.08 0.02 -0.01 0.02 -0.02 0.03 -0.02 -0.01 0.03 0.02 -0.01 0.00 -0.01 -0.01 0.01 -0.07 -0.04 0.07 -0.15 0.18 -0.19 -0.12 -0.17 -0.04 -0.18 0.01 0.12 0.19 0.04 -0.07 -0.09 -0.18 -0.01 -0.08 -0.03 -0.03 -0.08 0.04 -0.01 0.00 -0.00 0.03 -0.02 0.00 -0.15 0.03 -0.09 -0.16 0.03 -0.04 -0.40 0.21 -0.38 0.02 -0.11 0.00 0.00 0.04 -0.01 0.04 -0.00 -0.00 -0.00 0.03 -0.03 -0.00 0.00 0.00 -0.05 0.02 -0.05 0.16 -0.06 0.14 0.18 -0.08 0.16 -0.00 0.00 0.01 0.00 -0.01 -0.00 0.00 0.00 -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 0.01 0.01 0.01 -0.00 -0.00 0.01 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.00 -0.01 -0.09 0.03 -0.07 -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.19 0.07 -0.16 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.02 -0.01 0.01 0.01 -0.02 0.01 0.02 -0.02 -0.01 -0.01 -0.00 0.00 0.01 0.01 -0.02 -0.00 -0.00 -0.02 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.03 0.00 -0.00 -0.02 -0.01 -0.26 0.08 -0.20 -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.60 0.22 -0.52 -0.00 0.00 -0.00 -0.05 0.03 -0.05 0.02 -0.02 0.02 -0.02 -0.01 0.00 0.03 -0.03 -0.05 0.02 0.02 0.04 -0.02 -0.02 0.04 0.08 0.01 0.08 0.05 0.13 0.02 -0.03 -0.02 -0.00 -0.01 -0.01 -0.01 -0.02 -0.02 -0.06 -0.06 -0.01 -0.12 -0.11 -0.02 0.04 0.01 0.01 0.00 0.01 0.01 0.01 0.14 0.10 -0.04 0.08 0.08 0.12 0.01 -0.02 0.01 -0.03 -0.14 -0.02 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 -0.02 -0.01 0.00 0.01 0.01 0.01 -0.01 -0.02 -0.02 -0.00 -0.08 0.07 0.12 0.04 0.11 0.10 0.07 0.07 0.02 0.04 -0.00 -0.03 -0.05 -0.06 -0.33 -0.24 -0.19 -0.38 -0.27 -0.12 0.01 0.01 -0.00 0.02 0.01 0.00 -0.09 0.10 -0.06 -0.13 0.07 -0.02 0.07 -0.05 0.07 -0.37 -0.34 -0.15 -0.04 -0.03 -0.02 -0.03 -0.03 -0.01 -0.02 -0.01 -0.00 -0.00 0.00 -0.00 -0.03 0.02 -0.04 0.01 -0.03 0.02 -0.01 -0.01 0.01 0.03 -0.02 -0.04 0.03 0.02 0.04 -0.01 -0.02 0.03 0.09 0.02 0.08 -0.09 0.05 -0.03 -0.03 -0.01 -0.00 -0.02 -0.01 -0.01 -0.03 -0.02 -0.06 0.04 0.04 -0.07 -0.02 0.03 0.07 0.01 0.01 -0.00 0.01 0.01 0.01 -0.06 -0.02 -0.11 -0.11 -0.03 0.04 0.00 -0.02 0.00 0.06 -0.07 0.02 -0.01 -0.01 -0.01 -0.01 -0.01 0.00 -0.02 -0.01 -0.00 0.02 0.01 0.01 -0.01 -0.03 -0.00 -0.02 -0.05 0.04 0.12 0.04 0.08 0.13 0.06 0.09 -0.01 0.02 -0.01 -0.03 -0.03 -0.05 0.37 0.16 0.11 0.38 0.16 0.18 0.03 0.02 0.01 0.03 0.01 0.01 0.17 0.24 0.05 0.17 0.24 0.11 0.03 -0.04 0.04 0.45 0.16 0.19 -0.03 -0.02 -0.01 -0.03 -0.03 -0.01 -0.04 -0.00 -0.01 0.01 -0.00 0.00 -0.02 -0.00 -0.01 0.01 0.00 -0.00 0.01 0.01 -0.01 0.00 0.00 0.00 -0.00 -0.02 0.00 -0.01 -0.03 -0.04 -0.00 -0.04 0.04 -0.01 0.03 -0.00 0.03 -0.01 -0.03 0.19 0.17 0.09 -0.02 -0.00 -0.01 0.00 0.01 -0.03 -0.02 0.00 0.02 -0.10 -0.10 -0.01 -0.09 -0.08 -0.05 0.01 0.01 -0.03 -0.02 0.01 0.03 0.01 0.01 0.00 0.01 -0.03 0.00 0.10 0.09 0.07 0.10 0.11 0.03 0.01 0.01 -0.01 -0.17 -0.13 -0.08 -0.02 0.02 0.19 -0.17 0.10 -0.14 0.01 -0.03 0.05 -0.01 -0.03 0.04 -0.09 -0.12 -0.04 -0.10 0.10 0.08 0.02 -0.00 -0.01 0.01 -0.01 0.02 -0.32 -0.32 -0.12 -0.36 -0.32 -0.16 0.00 0.06 -0.01 0.00 0.06 0.02 0.03 0.01 0.01 0.04 -0.02 0.02 0.21 0.14 0.09 0.17 0.16 0.07 -0.00 0.01 -0.00 -0.01 0.01 0.00 0.12 0.06 0.02 -0.08 -0.04 0.03 -0.07 -0.10 0.05 -0.01 0.01 0.02 0.07 0.04 -0.02 0.02 -0.06 0.05 0.17 0.29 -0.18 -0.06 -0.04 -0.02 -0.07 -0.08 -0.05 -0.01 0.06 0.01 0.00 -0.01 0.02 0.03 0.01 0.02 0.03 0.02 0.01 0.01 0.01 -0.06 -0.02 -0.02 0.06 0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.04 -0.09 -0.02 0.04 0.03 0.01 0.03 0.03 -0.05 -0.00 0.01 0.07 -0.06 -0.08 0.05 0.02 -0.07 -0.01 0.01 -0.02 0.25 -0.11 0.07 -0.05 0.17 0.29 -0.11 0.16 0.31 -0.19 -0.09 -0.04 -0.07 -0.14 -0.07 -0.10 -0.05 -0.03 -0.01 -0.04 -0.02 -0.01 -0.04 -0.13 -0.08 -0.06 -0.15 -0.02 -0.19 -0.13 -0.08 -0.19 -0.11 -0.08 -0.21 -0.13 -0.03 -0.16 -0.09 -0.08 -0.07 0.03 -0.04 -0.08 0.02 0.02 -0.01 -0.08 0.02 -0.00 0.00 -0.00 0.03 0.00 0.01 -0.01 0.01 0.01 -0.01 -0.02 0.01 -0.01 0.01 0.01 0.02 0.03 -0.02 -0.02 -0.03 0.04 -0.04 0.04 -0.12 0.19 0.10 0.08 -0.03 -0.03 0.00 0.01 0.01 0.00 0.02 -0.01 0.03 -0.08 -0.05 -0.01 -0.07 -0.05 -0.04 0.00 0.00 -0.01 0.00 -0.00 0.00 0.01 -0.01 0.03 0.02 -0.00 -0.02 -0.01 -0.01 0.00 -0.11 -0.04 -0.05 0.00 0.01 -0.00 0.01 0.00 0.01 -0.01 -0.01 0.00 -0.01 -0.01 -0.00 0.02 -0.01 -0.01 0.01 -0.05 0.06 -0.06 0.04 -0.04 -0.09 0.06 -0.14 0.02 0.05 -0.00 -0.05 -0.07 -0.09 0.01 0.01 0.03 0.04 0.03 0.01 -0.04 -0.04 -0.03 -0.03 -0.04 -0.02 0.44 0.21 0.20 0.47 0.24 0.18 -0.05 -0.01 -0.01 0.37 0.24 0.15 -0.02 0.00 -0.01 -0.01 -0.01 -0.00 0.01 -0.01 -0.01 0.02 -0.02 -0.00 0.04 0.03 -0.00 -0.02 -0.02 0.01 -0.03 -0.03 0.02 0.01 -0.02 -0.05 -0.04 0.06 0.03 -0.14 0.05 0.02 0.08 0.12 -0.01 -0.01 -0.02 -0.01 -0.11 0.10 0.03 0.07 -0.05 0.01 0.03 -0.01 -0.03 0.00 -0.01 0.03 0.02 -0.01 -0.02 -0.02 -0.05 0.17 0.06 0.03 -0.18 -0.00 -0.02 0.03 0.02 -0.02 -0.03 -0.00 -0.03 -0.01 -0.01 0.03 -0.00 0.00 -0.08 0.19 0.10 0.00 -0.19 -0.02 -0.03 0.02 -0.12 0.10 -0.00 -0.15 -0.06 -0.44 0.11 -0.27 0.22 0.07 0.10 -0.11 0.19 0.07 0.05 -0.03 0.19 0.04 -0.11 0.05 -0.05 -0.01 0.00 0.02 0.02 0.00 -0.02 -0.14 0.01 0.09 -0.07 0.07 -0.13 -0.00 -0.07 0.01 0.01 -0.06 -0.01 -0.05 -0.05 -0.01 -0.03 0.02 -0.01 0.14 -0.23 0.07 0.21 -0.19 -0.09 -0.01 -0.03 0.01 -0.00 -0.01 -0.00 0.01 0.00 0.00 -0.01 0.01 0.01 -0.01 -0.01 0.00 -0.02 0.02 0.04 0.04 -0.07 -0.02 0.01 -0.06 -0.02 0.01 -0.00 -0.07 0.01 0.01 0.00 -0.00 0.06 -0.01 0.04 0.04 0.02 -0.01 0.02 0.03 0.01 0.01 -0.03 -0.02 0.01 0.02 -0.05 -0.06 0.02 -0.03 -0.04 -0.04 0.01 0.02 -0.03 -0.02 0.02 0.03 -0.00 -0.01 0.01 0.01 -0.02 0.00 -0.04 -0.07 0.01 -0.02 -0.04 -0.05 -0.00 -0.00 0.00 0.04 0.07 0.02 -0.09 -0.08 0.22 -0.10 0.14 -0.14 0.03 0.02 0.11 -0.11 0.09 -0.14 -0.11 -0.08 -0.01 -0.11 0.15 0.08 -0.01 -0.01 -0.03 -0.01 0.01 0.03 0.28 0.30 0.18 0.24 0.27 0.11 -0.03 0.05 -0.02 -0.02 0.06 0.01 -0.05 -0.00 -0.01 0.01 -0.02 0.00 0.36 0.25 0.16 0.28 0.22 0.10 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 -0.00 -0.00 0.00 0.01 0.01 0.01 -0.00 0.00 0.00 0.01 0.01 0.00 -0.01 -0.01 -0.00 0.04 0.04 0.02 -0.05 -0.05 -0.03 0.01 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.05 0.05 0.02 -0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 0.01 0.00 0.02 -0.01 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.02 -0.00 -0.00 -0.01 -0.01 -0.06 -0.03 -0.02 0.07 0.04 0.03 -0.28 -0.30 -0.14 0.32 0.33 0.16 -0.06 -0.03 -0.02 0.05 0.03 0.02 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.33 -0.32 -0.16 0.37 0.36 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 -0.01 -0.01 0.01 0.01 0.00 -0.00 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 0.06 0.03 0.03 -0.07 -0.04 -0.03 -0.01 -0.01 -0.01 0.00 0.01 0.01 0.06 0.03 0.03 -0.05 -0.03 -0.02 0.00 -0.00 0.00 0.01 0.01 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 0.01 0.00 -0.02 -0.01 -0.01 0.00 -0.01 0.00 -0.02 0.02 -0.01 0.02 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.40 -0.23 -0.17 0.43 0.24 0.17 0.04 0.05 0.02 -0.04 -0.04 -0.02 -0.40 -0.24 -0.17 0.36 0.21 0.15 0.00 0.00 -0.00 -0.04 -0.02 -0.02 0.05 0.06 0.03 -0.05 -0.04 -0.02 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.01 0.00 0.01 -0.03 -0.02 0.00 0.00 0.01 0.03 -0.03 -0.08 -0.10 0.12 0.06 -0.04 0.02 0.01 -0.02 0.08 0.10 0.01 0.02 0.01 0.04 -0.07 -0.02 0.08 0.08 0.04 0.01 -0.04 -0.05 -0.01 -0.02 0.03 0.03 -0.01 -0.04 -0.04 -0.03 -0.04 -0.05 -0.04 0.02 -0.01 -0.03 0.05 0.05 -0.03 -0.05 0.00 -0.00 -0.03 -0.02 0.02 -0.01 -0.04 -0.01 -0.06 -0.06 -0.02 0.03 -0.01 -0.01 0.00 0.05 0.02 0.01 0.13 0.12 -0.11 -0.10 -0.19 0.07 -0.04 0.04 -0.33 0.28 -0.17 0.28 0.03 -0.10 -0.02 -0.02 -0.04 0.01 0.01 0.00 0.05 -0.03 -0.05 -0.07 0.17 0.17 0.06 0.15 0.16 0.11 0.09 -0.05 0.05 0.04 -0.11 -0.02 0.08 -0.02 0.02 0.01 0.04 0.02 0.23 0.31 0.11 0.19 0.30 0.14 -0.02 -0.02 0.04 0.00 -0.00 -0.00 0.03 -0.01 0.03 0.00 0.00 0.01 0.03 -0.01 0.03 -0.00 0.00 0.01 0.01 -0.00 -0.01 0.00 -0.00 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 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.13 0.05 -0.11 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 0.00 -0.00 -0.01 -0.01 0.01 0.01 0.01 -0.00 -0.01 -0.01 0.03 -0.02 0.02 -0.03 -0.00 0.01 -0.00 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.01 0.00 0.71 -0.26 0.60 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.12 -0.04 0.09 0.00 0.00 0.00 0.00 -0.00 0.01 0.02 -0.01 0.02 0.03 -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 0.01 -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 0.02 -0.01 0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.13 0.05 -0.11 -0.00 -0.00 -0.00 -0.01 -0.01 0.01 -0.01 0.00 -0.01 0.00 0.00 -0.01 0.00 -0.01 0.01 -0.00 -0.01 0.00 0.00 0.01 0.02 -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 0.00 0.00 -0.12 0.05 -0.10 0.01 0.00 0.00 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 0.71 -0.26 0.60 0.00 0.00 0.00 0.02 0.01 0.01 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.01 -0.02 -0.02 -0.05 -0.05 0.08 -0.01 -0.05 0.00 -0.04 0.06 -0.01 0.00 -0.01 0.01 0.10 0.11 -0.07 -0.04 -0.04 -0.03 0.01 0.02 -0.03 0.05 0.03 -0.00 0.04 0.02 0.01 0.00 -0.00 0.03 -0.01 -0.00 0.03 -0.01 0.01 -0.02 -0.01 -0.01 0.00 0.00 -0.00 -0.02 -0.04 -0.03 -0.01 0.03 0.01 0.02 -0.00 0.02 0.01 -0.00 -0.01 0.01 -0.01 -0.00 -0.01 -0.11 -0.11 0.10 -0.22 -0.09 -0.05 -0.02 0.06 -0.20 0.11 -0.08 0.08 -0.03 -0.37 0.02 0.03 0.35 0.36 -0.24 -0.13 -0.13 -0.23 -0.13 -0.10 0.02 -0.01 0.04 0.00 0.04 0.06 0.03 0.07 0.01 0.07 0.04 0.04 0.02 -0.02 0.01 0.25 0.15 0.13 -0.12 -0.19 -0.08 -0.14 -0.06 -0.07 -0.05 0.01 -0.02 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.01 -0.01 0.01 0.01 -0.00 0.01 -0.01 -0.02 0.05 0.03 0.06 0.01 -0.04 0.03 -0.07 0.02 -0.03 0.04 0.03 0.02 0.02 0.04 -0.05 -0.02 -0.01 -0.02 -0.01 -0.01 -0.02 -0.07 -0.04 -0.03 -0.07 -0.04 -0.04 -0.00 -0.01 0.02 -0.00 -0.00 0.01 0.01 0.01 -0.00 0.02 0.01 0.01 -0.00 0.00 -0.00 0.06 0.04 0.03 0.02 0.00 0.02 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.04 -0.07 0.07 -0.13 -0.07 0.00 -0.08 0.01 -0.14 0.01 -0.08 0.03 -0.05 -0.20 -0.01 -0.05 0.17 0.15 0.42 0.24 0.18 0.40 0.21 0.15 0.04 0.03 0.04 0.01 0.03 0.03 -0.03 -0.01 -0.02 -0.11 -0.07 -0.04 0.01 0.00 0.00 -0.40 -0.23 -0.15 -0.07 -0.12 -0.05 -0.06 -0.04 -0.04 -0.02 -0.00 0.01 -0.00 0.00 -0.00 -0.04 0.01 0.04 0.01 -0.07 -0.04 0.04 0.03 -0.03 0.01 0.01 0.00 0.10 0.07 -0.00 0.16 -0.05 0.03 -0.10 0.05 0.06 -0.01 0.00 -0.01 -0.14 0.00 -0.00 -0.05 0.02 0.00 -0.04 -0.03 -0.00 0.02 0.01 0.01 0.02 0.01 0.01 0.00 -0.01 0.00 0.01 -0.00 -0.04 0.00 -0.01 0.01 0.01 -0.01 -0.01 0.00 0.03 0.01 -0.02 -0.01 -0.01 0.02 -0.03 0.04 0.05 -0.01 -0.04 0.00 -0.02 -0.01 -0.01 0.00 0.00 0.12 0.01 0.42 0.03 0.30 -0.16 -0.07 0.04 -0.34 0.05 -0.29 0.21 -0.28 0.19 -0.10 -0.20 -0.07 -0.19 -0.12 -0.07 -0.04 -0.12 -0.05 -0.05 0.04 0.03 0.03 0.08 0.03 -0.03 -0.01 -0.02 0.01 0.01 -0.01 -0.00 -0.01 0.02 0.02 0.12 0.07 0.05 -0.02 -0.09 0.01 0.02 -0.14 -0.05 -0.10 -0.03 0.08 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.01 0.00 -0.01 -0.01 0.01 -0.00 0.00 0.00 -0.03 -0.00 -0.03 -0.02 -0.00 -0.03 0.03 -0.00 0.01 0.00 0.01 0.00 0.01 -0.02 0.03 0.03 0.03 0.02 0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.05 -0.05 -0.03 -0.07 -0.07 -0.04 -0.00 -0.01 0.01 0.01 -0.00 -0.00 0.00 -0.01 -0.01 0.00 0.00 -0.00 0.04 0.05 0.01 0.06 0.06 0.03 0.00 0.01 0.00 -0.02 -0.01 -0.00 0.02 0.03 -0.00 0.02 0.03 -0.03 0.03 -0.00 0.04 0.02 0.03 0.00 0.01 0.08 0.01 -0.01 -0.07 -0.07 -0.00 -0.00 0.01 0.02 0.01 0.01 0.27 0.30 0.13 0.38 0.39 0.19 0.02 -0.00 0.01 -0.01 -0.01 -0.01 0.01 -0.00 -0.02 0.00 -0.00 -0.01 -0.27 -0.22 -0.11 -0.36 -0.36 -0.18 0.02 0.01 -0.01 -0.00 0.00 -0.00 0.05 -0.09 -0.10 0.16 0.10 -0.14 -0.30 -0.09 0.31 0.00 -0.00 -0.00 0.01 0.02 0.01 0.07 -0.02 0.01 -0.04 -0.02 0.02 -0.00 0.01 0.00 -0.04 0.01 -0.01 -0.03 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.02 0.02 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.18 -0.07 -0.00 -0.00 0.00 0.00 -0.01 0.02 0.00 -0.02 -0.02 0.07 0.27 0.03 -0.00 0.00 0.00 0.06 0.01 0.17 -0.00 0.11 -0.07 -0.11 -0.08 -0.13 0.10 -0.06 0.08 -0.11 0.04 -0.04 -0.06 0.00 -0.04 -0.01 -0.01 -0.00 -0.01 -0.01 -0.01 -0.01 -0.02 -0.00 -0.07 -0.09 -0.06 -0.00 -0.00 0.00 0.00 -0.02 -0.00 0.36 0.12 -0.36 0.02 0.01 0.01 0.01 -0.02 0.01 0.09 0.04 0.02 0.26 0.29 -0.15 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 -0.00 0.00 0.00 0.01 -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 -0.01 -0.01 -0.00 0.01 0.01 0.01 -0.07 -0.07 -0.04 0.05 0.05 0.03 0.01 0.00 0.01 -0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.06 0.06 0.03 -0.04 -0.05 -0.03 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 -0.01 0.01 0.00 0.00 0.01 -0.01 0.02 -0.01 0.01 -0.01 -0.00 0.01 -0.00 -0.01 -0.02 -0.02 0.04 0.03 0.02 -0.07 -0.04 -0.03 0.39 0.41 0.19 -0.28 -0.28 -0.13 -0.06 -0.04 -0.02 0.08 0.04 0.03 -0.01 -0.00 0.01 0.01 0.00 -0.00 -0.36 -0.33 -0.16 0.26 0.26 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 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.03 0.02 0.01 -0.00 0.01 0.02 -0.00 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.07 -0.04 -0.03 0.07 0.04 0.03 0.01 0.01 0.01 -0.01 -0.01 -0.00 0.07 0.04 0.03 -0.08 -0.05 -0.04 -0.00 0.00 0.00 0.01 0.00 0.00 -0.01 -0.01 -0.00 0.01 0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.04 0.04 -0.02 -0.02 0.02 -0.03 0.02 -0.03 -0.00 -0.04 -0.01 -0.02 0.02 0.02 0.36 0.21 0.15 -0.38 -0.21 -0.15 -0.05 -0.05 -0.02 0.07 0.07 0.04 -0.39 -0.23 -0.16 0.43 0.25 0.18 -0.00 0.00 0.00 -0.02 -0.02 -0.01 0.05 0.04 0.02 -0.06 -0.05 -0.03 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.04 -0.03 -0.01 0.05 0.03 0.00 0.01 -0.01 0.01 -0.01 -0.02 0.16 0.16 0.07 0.00 0.05 0.14 -0.01 -0.12 -0.08 -0.09 -0.02 -0.04 -0.05 -0.05 -0.14 0.02 0.03 -0.01 -0.00 -0.01 -0.01 0.03 0.03 0.04 0.01 0.01 -0.02 -0.02 -0.02 0.01 -0.02 -0.02 0.02 0.00 -0.02 0.03 0.05 0.01 -0.01 -0.02 0.01 0.04 -0.03 -0.03 -0.02 0.02 -0.01 0.02 -0.00 0.01 0.00 0.02 0.01 -0.01 0.00 0.00 -0.01 0.07 0.03 -0.16 -0.02 -0.28 0.27 -0.16 -0.19 0.26 -0.18 0.15 -0.22 -0.03 -0.29 -0.07 -0.20 0.11 0.08 -0.22 -0.12 -0.06 0.02 -0.01 -0.03 0.07 0.07 0.06 0.07 0.09 0.08 -0.03 -0.05 0.00 -0.18 -0.14 -0.10 -0.01 0.03 0.02 0.23 0.12 0.09 0.01 -0.07 -0.02 -0.07 0.01 -0.04 0.07 0.01 -0.05 0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 0.02 0.01 0.01 -0.00 0.00 0.01 0.00 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.03 -0.02 -0.02 -0.02 -0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.07 0.05 0.03 0.06 0.04 0.03 0.00 -0.00 -0.00 -0.08 -0.05 -0.04 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.03 -0.01 -0.00 -0.00 0.02 -0.03 0.02 0.03 -0.04 0.02 -0.02 0.02 0.02 0.04 0.02 0.04 -0.02 -0.01 0.23 0.13 0.09 0.17 0.09 0.07 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.43 -0.24 -0.19 -0.37 -0.21 -0.15 -0.00 -0.00 -0.00 0.48 0.29 0.20 -0.01 0.01 0.00 0.01 0.00 0.01 -0.01 -0.00 0.01 -0.00 0.00 0.00 -0.01 0.00 0.02 0.04 -0.06 -0.07 -0.01 0.02 0.02 0.00 0.00 0.00 0.04 0.01 0.00 -0.03 0.02 0.01 -0.01 0.00 -0.02 -0.02 0.00 -0.01 0.00 -0.02 -0.01 0.02 0.00 0.00 -0.01 0.01 -0.01 0.22 -0.14 -0.29 -0.04 -0.17 0.35 -0.01 -0.00 0.01 -0.00 -0.00 -0.01 -0.02 -0.02 0.06 0.03 -0.02 -0.05 -0.04 0.01 0.05 -0.16 0.31 -0.05 0.00 0.01 -0.01 -0.01 0.00 0.01 0.02 0.02 -0.01 0.01 -0.00 -0.00 -0.04 -0.01 -0.08 0.01 -0.07 0.06 0.03 0.03 0.00 -0.03 -0.01 -0.03 0.04 -0.03 0.01 0.00 -0.01 0.01 0.16 -0.11 -0.37 -0.10 -0.09 0.40 0.01 0.02 0.02 0.02 0.02 0.00 -0.02 0.03 0.06 0.01 0.01 -0.06 -0.07 -0.01 0.07 -0.18 0.32 -0.06 -0.00 -0.01 -0.02 -0.01 0.00 0.01 -0.06 0.01 0.08 0.00 0.00 0.00 0.03 -0.03 -0.08 -0.15 0.23 0.27 0.03 -0.06 -0.06 0.00 -0.01 -0.03 -0.14 0.03 0.01 0.12 -0.04 0.01 0.02 -0.05 0.06 -0.01 0.07 0.01 -0.03 0.03 -0.02 -0.06 0.00 -0.01 0.02 -0.01 -0.00 0.03 -0.03 -0.07 -0.02 -0.03 0.05 0.02 0.01 -0.01 0.01 0.00 0.02 -0.00 -0.03 0.06 0.05 -0.03 -0.06 0.14 -0.05 -0.17 -0.03 0.05 -0.00 0.00 -0.03 0.04 0.02 -0.01 -0.04 -0.06 -0.07 0.04 -0.01 0.01 0.00 0.20 0.09 0.29 -0.06 0.15 -0.12 -0.16 -0.17 0.09 0.12 0.07 0.06 -0.18 0.01 -0.06 -0.11 0.07 -0.01 0.12 0.02 -0.04 0.02 0.03 0.08 -0.04 -0.04 -0.04 -0.03 -0.03 -0.00 -0.07 -0.02 0.06 0.03 -0.05 -0.07 0.25 0.04 -0.29 -0.03 0.06 0.04 0.02 -0.01 0.05 0.03 -0.00 -0.04 0.25 -0.05 -0.32 0.01 -0.01 -0.00 -0.01 0.00 0.01 0.03 -0.05 -0.05 -0.00 0.01 0.01 -0.01 0.00 0.00 -0.08 -0.00 -0.05 0.02 -0.01 0.02 0.06 -0.01 0.01 -0.00 0.03 -0.00 0.01 0.00 -0.02 -0.04 0.03 -0.01 0.02 0.00 0.01 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.11 0.02 -0.23 -0.01 -0.11 0.25 -0.00 -0.02 0.03 0.02 -0.01 -0.03 -0.04 0.02 0.05 0.00 -0.01 0.00 -0.03 -0.07 0.18 0.06 0.02 -0.18 0.01 0.01 -0.01 -0.11 0.11 -0.00 0.08 0.04 0.03 0.01 0.02 0.00 0.08 0.01 0.10 0.00 0.09 -0.04 0.05 -0.08 0.01 -0.04 0.04 0.02 0.03 0.04 0.01 0.03 0.04 0.02 -0.07 0.14 -0.38 -0.21 0.03 0.38 -0.02 -0.02 0.04 -0.01 -0.01 -0.05 -0.09 -0.02 0.09 0.01 -0.01 -0.01 -0.17 0.09 0.32 -0.08 0.23 -0.31 -0.05 0.01 0.07 0.00 -0.00 -0.00 0.02 0.00 0.00 -0.04 0.07 0.08 -0.00 -0.03 -0.01 0.01 -0.00 0.00 0.19 -0.05 0.12 -0.07 0.08 -0.05 -0.14 0.05 -0.03 0.04 -0.14 0.01 -0.01 -0.07 0.05 0.04 0.02 0.03 -0.04 0.01 -0.03 0.03 -0.03 0.02 0.03 -0.02 0.00 0.03 -0.00 -0.11 -0.01 -0.04 0.07 0.03 0.07 -0.17 -0.09 0.04 0.15 0.08 -0.03 -0.10 -0.03 0.06 -0.01 -0.02 0.00 0.03 0.01 0.01 -0.05 -0.03 -0.02 0.02 -0.04 0.03 0.01 -0.16 -0.04 -0.23 0.07 -0.08 0.06 -0.13 0.04 -0.29 -0.01 -0.25 0.10 0.07 0.14 0.02 0.21 -0.20 -0.05 -0.04 -0.16 0.03 0.01 -0.15 -0.06 0.03 0.13 -0.13 -0.05 0.05 0.14 0.13 -0.00 -0.21 -0.04 -0.04 0.25 0.17 0.04 -0.18 -0.05 0.07 -0.00 -0.13 0.08 0.10 -0.02 0.06 -0.08 0.07 -0.01 -0.11 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 0.02 0.02 -0.00 -0.01 0.00 0.01 0.01 0.01 0.18 0.06 0.01 -0.12 -0.09 -0.07 -0.05 0.01 -0.01 -0.04 0.02 -0.02 0.06 0.02 0.11 0.02 -0.03 0.02 -0.03 -0.02 -0.00 0.00 0.05 -0.04 -0.03 0.04 0.04 0.02 0.00 -0.04 0.00 -0.01 0.01 -0.05 -0.04 0.15 0.06 -0.01 -0.14 0.03 -0.01 -0.04 0.06 -0.10 0.01 -0.02 0.02 -0.01 -0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.02 0.01 0.01 -0.29 -0.20 -0.01 -0.16 -0.03 -0.11 -0.05 0.00 -0.11 -0.06 -0.13 0.03 0.11 0.14 0.09 0.19 -0.09 -0.01 -0.13 0.20 -0.20 -0.20 0.18 0.10 0.00 0.01 -0.06 -0.05 0.00 0.04 -0.19 0.19 0.27 0.00 0.25 -0.33 0.07 0.01 -0.07 0.06 -0.12 -0.02 -0.07 0.08 0.03 0.01 -0.00 0.01 0.02 -0.00 -0.04 0.00 -0.00 -0.00 -0.02 -0.00 -0.02 -0.00 0.01 0.01 0.00 0.00 -0.00 -0.00 0.01 0.00 0.06 0.18 -0.11 -0.09 -0.17 -0.03 0.05 -0.04 0.03 -0.05 0.08 -0.04 0.08 0.07 0.09 -0.02 -0.03 -0.01 -0.01 -0.03 0.02 -0.02 -0.01 0.07 0.04 -0.04 -0.02 0.01 0.01 -0.00 0.01 0.01 0.00 0.04 -0.04 -0.04 -0.03 -0.02 0.08 -0.00 0.00 0.01 -0.04 0.10 -0.04 -0.01 0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.14 -0.14 0.21 -0.30 -0.01 -0.16 -0.05 -0.09 0.08 -0.03 0.04 -0.02 0.06 0.05 0.09 -0.00 0.06 0.01 -0.02 -0.19 0.17 0.20 -0.33 -0.16 -0.02 -0.05 -0.02 -0.04 -0.02 -0.00 0.27 -0.34 -0.17 0.04 -0.22 0.24 -0.01 0.00 0.01 0.00 0.11 -0.16 -0.02 0.02 0.00 0.01 -0.02 0.01 0.02 -0.00 -0.01 -0.00 0.00 -0.00 0.02 -0.04 -0.02 0.01 0.00 -0.01 0.01 0.01 -0.00 0.02 -0.02 -0.05 -0.04 0.03 0.20 0.03 -0.01 -0.09 0.01 -0.03 -0.10 -0.04 0.02 0.04 0.00 0.01 0.08 -0.02 -0.01 0.05 0.01 -0.01 -0.02 0.04 -0.05 -0.02 -0.00 0.04 -0.05 0.02 0.00 -0.04 -0.00 0.02 -0.04 0.00 0.03 -0.04 0.03 -0.04 -0.03 -0.06 0.03 0.08 -0.03 0.01 0.05 -0.01 0.02 -0.01 0.03 -0.02 -0.03 0.02 0.01 -0.01 0.00 -0.01 0.03 0.04 0.05 0.15 -0.28 -0.05 -0.17 -0.13 -0.10 0.13 0.14 0.28 -0.13 -0.29 0.25 -0.07 0.29 -0.14 0.01 0.06 -0.21 0.08 -0.06 0.10 -0.03 0.04 -0.03 -0.02 -0.06 0.05 -0.02 -0.04 0.09 -0.01 0.08 -0.17 0.07 -0.14 -0.04 0.15 -0.12 -0.00 0.31 -0.13 0.10 0.07 0.10 -0.12 0.04 0.00 0.01 0.01 0.03 -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 -0.01 -0.00 0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.03 0.01 -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 0.08 -0.05 -0.05 0.05 -0.08 0.05 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 0.05 -0.12 -0.05 -0.01 0.12 0.00 0.00 -0.00 -0.24 0.26 0.00 0.00 -0.00 0.02 0.03 0.04 -0.01 -0.01 -0.01 0.01 0.01 0.02 -0.00 -0.02 0.01 -0.00 -0.03 0.01 -0.02 0.02 -0.03 0.02 -0.01 0.03 0.00 0.23 -0.25 0.08 0.29 -0.23 -0.08 -0.00 0.01 -0.00 0.01 -0.04 0.02 -0.01 -0.00 0.01 -0.02 -0.00 0.04 0.34 -0.18 -0.36 0.16 -0.34 0.35 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.02 0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 0.01 0.01 0.03 0.03 -0.08 -0.03 -0.02 0.00 0.01 0.00 0.03 -0.02 0.01 0.04 0.01 0.00 -0.00 0.01 -0.00 -0.03 -0.00 -0.01 0.01 0.05 -0.08 -0.01 -0.03 0.08 -0.05 -0.02 0.01 0.02 0.01 -0.02 0.02 0.00 0.04 -0.06 0.04 -0.04 -0.04 0.02 -0.01 -0.03 -0.03 0.00 0.07 0.01 -0.02 0.02 -0.02 0.02 0.01 -0.00 -0.00 0.00 0.01 -0.00 -0.02 -0.08 -0.07 -0.04 0.12 0.10 0.01 0.06 0.03 -0.01 -0.10 -0.09 0.01 0.19 -0.06 0.07 -0.14 0.03 -0.05 0.12 -0.36 0.18 -0.19 0.32 0.05 -0.09 0.10 -0.04 0.08 -0.07 -0.02 -0.08 0.14 -0.02 0.09 -0.21 0.08 0.05 0.01 -0.05 -0.20 -0.02 0.51 0.11 -0.09 -0.05 -0.12 0.16 -0.07 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.03 -0.02 -0.00 0.01 0.01 0.00 0.01 -0.00 0.01 -0.01 -0.01 -0.00 -0.00 0.06 0.01 -0.00 -0.04 -0.01 0.00 -0.02 0.00 -0.00 -0.00 -0.00 -0.01 0.05 0.00 0.01 -0.03 -0.00 -0.00 -0.01 -0.01 0.02 -0.00 0.01 -0.02 0.01 -0.06 0.05 0.02 0.05 -0.06 0.02 -0.00 -0.01 0.01 -0.01 0.01 0.01 -0.02 0.01 0.03 0.01 0.00 -0.01 0.04 -0.06 0.03 -0.05 0.04 0.02 0.00 0.00 -0.00 0.01 0.01 -0.03 -0.01 0.00 0.05 -0.01 0.04 -0.07 -0.09 -0.05 -0.01 0.13 0.10 0.00 0.02 0.10 0.03 0.03 -0.07 -0.05 -0.03 0.08 -0.05 0.05 -0.09 -0.02 -0.25 0.32 -0.15 0.36 -0.27 -0.18 0.01 -0.03 0.00 -0.01 0.04 -0.01 -0.06 -0.02 0.06 0.05 0.01 -0.12 0.33 -0.26 -0.16 -0.26 0.35 -0.17 0.01 0.01 -0.01 -0.00 0.00 0.00 0.03 0.04 -0.02 0.02 0.03 -0.01 0.06 -0.06 -0.09 0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 0.00 0.00 -0.02 -0.04 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 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.02 -0.11 -0.08 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.06 0.16 0.14 -0.00 0.00 0.00 0.01 0.01 0.00 -0.01 -0.01 0.00 -0.02 -0.04 0.04 -0.08 -0.06 -0.01 -0.02 0.00 -0.01 0.01 -0.00 0.00 -0.01 -0.01 0.00 0.02 -0.02 -0.01 -0.00 0.01 -0.00 0.01 -0.01 -0.01 0.02 -0.02 -0.01 0.01 -0.01 0.00 -0.33 -0.43 0.20 -0.00 0.00 0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.44 0.15 0.58 0.00 0.00 -0.00 0.02 -0.09 -0.08 -0.01 0.04 0.03 0.02 0.02 -0.02 -0.00 0.01 0.00 -0.00 0.06 -0.06 -0.02 -0.04 -0.01 0.01 0.03 0.03 0.08 -0.12 0.01 0.01 0.01 -0.00 0.01 -0.00 -0.03 -0.01 -0.01 0.00 0.01 -0.02 0.00 -0.01 -0.00 0.02 0.01 -0.01 0.02 -0.01 0.01 0.01 -0.02 0.05 -0.03 -0.02 0.02 0.03 -0.06 0.00 0.07 0.01 -0.01 -0.01 -0.01 0.01 0.00 0.01 -0.01 0.00 0.01 0.03 0.01 0.00 -0.00 -0.01 -0.04 -0.04 0.01 0.16 0.18 -0.04 -0.37 -0.22 -0.17 0.43 0.25 0.12 0.24 -0.07 0.09 -0.23 0.06 -0.08 0.00 0.05 -0.05 -0.14 0.17 0.10 0.05 -0.09 0.06 -0.10 0.06 0.06 -0.13 0.20 0.04 -0.03 0.05 0.01 -0.21 -0.11 0.19 0.04 -0.01 -0.09 -0.05 0.04 0.03 0.03 -0.04 0.02 0.02 0.03 -0.00 0.00 -0.00 -0.00 0.02 -0.03 -0.02 -0.01 0.01 0.01 0.00 0.01 -0.00 0.00 -0.00 0.00 0.02 -0.05 0.03 0.01 0.02 -0.02 -0.02 0.01 -0.00 -0.04 0.08 -0.01 -0.02 -0.01 -0.01 0.04 -0.02 -0.02 -0.01 0.00 -0.00 -0.01 0.03 -0.01 0.01 -0.01 -0.01 0.01 -0.02 0.01 -0.01 0.00 0.01 0.03 -0.06 0.00 0.00 0.02 -0.03 -0.02 0.00 0.02 -0.02 0.01 0.05 -0.02 0.02 -0.00 -0.01 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.18 -0.13 -0.01 0.26 0.19 -0.01 -0.07 -0.02 -0.05 0.18 0.07 0.06 0.19 -0.04 0.06 -0.12 0.02 -0.05 -0.03 0.10 -0.06 0.13 -0.18 -0.09 0.03 -0.04 0.03 -0.08 0.05 0.06 0.30 -0.40 -0.15 -0.05 0.23 -0.19 -0.06 -0.03 0.06 -0.18 -0.01 0.45 -0.06 0.05 0.03 -0.02 0.02 0.00 0.03 0.01 -0.03 -0.00 0.00 0.00 -0.01 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.02 0.07 -0.05 -0.02 -0.02 0.02 0.03 -0.01 0.01 0.07 -0.12 0.00 0.03 0.01 0.02 -0.05 0.03 0.02 0.01 -0.00 0.00 0.01 -0.01 -0.00 0.01 -0.02 0.01 -0.01 0.02 -0.01 0.01 0.00 -0.01 0.01 0.01 -0.04 -0.03 0.06 -0.00 0.01 -0.00 -0.01 -0.01 -0.01 0.05 0.02 -0.02 0.00 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.01 0.00 0.01 0.22 0.15 0.02 -0.28 -0.20 0.00 -0.01 -0.03 0.01 -0.11 -0.02 -0.03 -0.17 0.03 -0.05 0.10 -0.01 0.04 -0.03 0.15 -0.13 0.00 -0.01 0.02 -0.03 0.03 -0.02 0.07 -0.05 -0.06 0.13 -0.14 -0.11 -0.15 0.46 -0.29 0.03 0.02 -0.03 -0.18 -0.03 0.48 0.08 -0.07 -0.04 0.04 -0.05 0.01 -0.02 -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 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.03 -0.04 0.02 0.04 -0.03 -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 -0.04 0.03 0.02 -0.03 0.04 -0.02 -0.00 -0.00 0.00 -0.01 0.01 0.00 0.02 0.01 0.00 -0.02 -0.01 0.00 0.00 -0.00 0.00 -0.02 -0.00 -0.01 -0.03 -0.01 -0.01 -0.00 0.00 -0.01 -0.01 0.04 -0.03 -0.02 0.04 0.02 0.26 -0.36 0.23 0.38 -0.25 -0.24 0.02 -0.02 -0.01 0.00 -0.01 0.01 0.01 0.01 -0.01 -0.00 -0.00 0.01 -0.36 0.26 0.23 -0.23 0.34 -0.21 -0.01 -0.00 0.01 -0.00 0.00 -0.00 0.01 0.01 0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.02 -0.01 0.04 -0.02 -0.01 -0.05 -0.01 -0.01 -0.01 -0.02 0.03 0.00 0.06 -0.06 0.01 -0.15 0.15 -0.03 -0.00 -0.00 -0.00 0.01 -0.02 0.02 0.02 -0.03 -0.01 -0.02 0.01 0.02 -0.03 0.03 0.01 -0.01 0.01 0.01 -0.00 0.02 -0.02 0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.02 -0.04 0.05 0.05 -0.03 -0.04 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.08 0.08 0.02 0.07 0.04 -0.04 0.05 0.04 0.03 -0.01 -0.01 -0.01 0.49 -0.13 0.16 -0.03 -0.07 -0.07 0.06 -0.25 0.17 0.20 -0.28 -0.13 0.17 -0.27 0.21 0.13 -0.08 -0.10 -0.16 0.21 0.10 -0.05 0.19 -0.15 -0.02 -0.02 0.01 0.00 0.01 -0.03 0.10 -0.10 -0.00 0.12 -0.14 0.02 0.02 -0.00 -0.03 -0.00 0.00 0.00 0.01 0.02 -0.00 -0.01 -0.02 0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 0.02 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 0.00 -0.01 -0.00 0.03 -0.03 0.00 -0.07 0.07 -0.00 -0.00 -0.00 -0.00 -0.01 0.05 -0.03 -0.03 0.04 0.02 -0.01 0.01 0.00 -0.02 0.02 0.00 0.02 -0.03 -0.01 0.01 -0.03 0.02 0.01 -0.01 -0.01 0.00 -0.01 0.00 0.01 -0.02 0.02 0.03 -0.02 -0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.06 0.04 -0.02 0.00 0.00 -0.01 0.02 0.01 0.01 -0.03 -0.01 -0.01 0.17 -0.06 0.05 0.05 -0.04 -0.01 -0.10 0.37 -0.27 -0.27 0.36 0.17 0.05 -0.08 0.07 0.05 -0.03 -0.04 0.26 -0.34 -0.15 0.10 -0.35 0.25 -0.07 -0.08 0.05 0.01 -0.01 -0.00 0.08 -0.07 -0.02 0.08 -0.09 0.03 0.07 0.01 -0.08 -0.00 0.00 -0.00 -0.06 -0.08 0.03 0.05 0.08 -0.02 0.01 -0.09 -0.05 0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.00 -0.01 -0.02 0.04 0.05 -0.03 -0.00 -0.00 0.00 0.01 -0.01 0.01 -0.01 0.02 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.01 0.00 0.01 0.01 -0.01 -0.00 0.00 -0.01 0.00 -0.02 0.04 0.05 0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 -0.01 -0.00 -0.02 -0.02 0.02 0.00 0.00 -0.00 -0.01 -0.00 0.01 0.02 0.03 -0.02 0.01 0.03 0.00 0.06 0.06 -0.02 0.11 -0.02 0.04 -0.06 -0.00 -0.03 -0.02 0.07 -0.05 -0.04 0.06 0.03 0.01 -0.03 0.02 -0.02 0.01 0.01 0.05 -0.06 -0.03 0.02 -0.07 0.05 0.45 0.46 -0.34 0.01 -0.00 -0.01 0.02 -0.02 -0.01 0.02 -0.03 0.01 -0.40 -0.04 0.45 -0.00 0.00 0.00 0.00 -0.07 -0.04 -0.00 0.03 0.02 0.02 0.01 -0.01 -0.01 0.01 0.02 0.04 -0.07 -0.11 -0.01 0.01 0.08 -0.00 0.04 0.04 -0.01 0.06 -0.03 0.01 -0.03 -0.05 -0.06 0.06 0.08 -0.00 0.01 0.00 -0.00 -0.01 0.01 -0.02 0.02 0.01 -0.02 0.03 -0.03 0.01 0.00 -0.03 -0.00 -0.01 0.02 0.01 -0.02 -0.01 -0.03 0.00 0.04 -0.00 0.00 -0.00 0.03 -0.03 -0.00 0.01 0.01 -0.04 0.00 0.01 0.00 -0.01 -0.01 0.03 -0.24 -0.20 -0.07 0.05 -0.08 0.14 -0.12 -0.05 -0.15 0.22 0.04 0.12 -0.26 -0.06 -0.13 0.64 -0.11 0.26 0.04 -0.14 0.11 0.00 0.00 -0.00 0.01 0.03 -0.01 0.18 -0.10 -0.13 0.02 -0.03 0.00 0.02 -0.04 0.01 -0.03 0.01 0.03 -0.02 -0.00 0.05 0.03 -0.03 0.00 0.06 -0.07 0.01 -0.01 0.01 0.02 -0.00 0.00 0.00 0.01 0.11 0.02 0.03 0.02 -0.03 -0.04 0.01 0.05 0.01 -0.00 -0.02 -0.07 0.09 0.03 0.03 -0.03 0.01 0.03 -0.05 0.00 0.01 -0.05 0.06 -0.05 -0.01 -0.04 0.01 0.02 0.02 0.01 -0.01 0.00 0.00 0.01 -0.02 0.03 -0.03 -0.02 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.02 -0.01 0.03 -0.01 0.03 -0.01 -0.04 -0.01 0.00 0.02 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.10 -0.04 0.00 -0.00 0.00 -0.41 -0.34 0.05 0.27 0.28 -0.02 -0.25 -0.22 0.05 -0.11 0.05 -0.07 0.16 -0.06 0.03 0.41 -0.08 0.15 -0.02 0.11 -0.09 0.02 -0.02 -0.01 0.00 0.02 -0.00 0.02 -0.00 -0.01 -0.06 0.09 0.02 -0.01 0.02 0.00 -0.00 -0.04 -0.01 0.02 0.01 -0.05 -0.01 0.01 0.01 0.02 -0.02 0.01 -0.21 -0.13 0.20 -0.00 0.00 0.00 -0.06 -0.01 0.05 -0.07 -0.15 0.01 0.04 -0.13 -0.11 0.00 -0.00 -0.01 -0.05 0.07 0.02 0.02 -0.02 0.00 0.04 0.01 -0.01 0.00 -0.03 0.05 -0.03 -0.00 -0.02 0.01 0.01 0.01 0.00 -0.01 0.00 0.00 0.01 -0.02 0.02 -0.03 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.02 -0.01 0.02 -0.01 0.01 0.07 0.01 -0.01 -0.00 0.02 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.21 0.10 0.00 -0.00 -0.00 -0.24 -0.20 0.04 0.15 0.16 -0.02 0.01 0.00 0.03 -0.06 0.05 -0.06 0.12 -0.03 0.03 0.26 -0.05 0.10 -0.02 0.08 -0.07 0.02 -0.02 -0.01 0.00 0.01 -0.00 0.01 -0.00 -0.01 -0.05 0.07 0.02 -0.00 -0.00 0.01 0.19 0.22 -0.13 0.02 0.00 -0.04 -0.00 0.00 0.00 0.01 -0.01 0.01 0.47 0.27 -0.44 0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 0.02 0.01 0.00 -0.01 -0.02 -0.03 0.10 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 -0.01 -0.00 -0.07 0.10 -0.09 0.12 -0.06 -0.09 0.00 -0.01 -0.00 -0.00 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.01 0.07 -0.03 -0.09 -0.04 0.08 -0.08 -0.00 0.00 0.00 -0.06 -0.06 0.26 0.04 0.03 -0.02 0.10 0.09 -0.01 0.01 0.01 0.02 0.03 0.02 0.00 0.12 -0.08 0.04 -0.23 0.07 -0.06 -0.01 0.01 -0.01 0.01 -0.02 -0.01 0.26 -0.32 0.20 -0.36 0.22 0.19 -0.01 0.02 0.01 0.00 -0.01 0.01 0.01 0.01 -0.00 0.00 0.00 -0.01 0.27 -0.16 -0.22 -0.18 0.28 -0.22 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.10 -0.04 -0.00 0.04 0.02 0.02 0.06 0.00 -0.00 0.01 0.01 0.04 -0.01 -0.07 -0.04 0.01 0.01 -0.01 0.05 0.02 -0.11 -0.02 0.28 0.04 -0.00 0.00 -0.02 -0.01 0.03 0.00 -0.01 0.01 -0.02 0.12 -0.11 0.10 -0.12 -0.07 0.00 0.00 -0.00 0.00 0.00 0.00 0.12 -0.14 -0.09 -0.04 0.15 -0.12 -0.03 -0.04 0.02 -0.06 -0.00 0.15 0.02 -0.01 -0.01 -0.01 0.01 -0.01 0.01 -0.00 -0.01 0.00 0.00 -0.02 0.14 0.12 -0.05 -0.03 -0.07 0.05 0.21 0.18 -0.06 -0.08 -0.12 0.04 -0.12 -0.02 -0.04 -0.18 0.05 -0.06 -0.04 0.14 -0.14 0.10 -0.12 -0.08 -0.07 0.09 -0.06 0.09 -0.07 -0.06 -0.24 0.31 0.12 0.10 -0.32 0.23 -0.07 -0.08 0.05 0.05 0.01 -0.13 -0.10 0.07 0.07 0.07 -0.11 0.07 -0.02 -0.00 0.02 -0.00 -0.00 0.00 0.01 0.05 0.01 0.00 -0.01 -0.01 -0.01 -0.03 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.03 -0.05 -0.02 -0.01 -0.02 -0.03 -0.01 0.01 0.00 -0.02 0.05 0.00 -0.02 -0.04 -0.04 0.13 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 0.00 -0.02 0.02 -0.01 0.02 -0.01 -0.01 -0.01 0.01 0.01 0.00 -0.01 0.01 0.01 0.02 -0.00 0.00 0.00 -0.01 0.07 -0.05 -0.04 -0.05 0.07 -0.04 -0.01 -0.00 0.01 0.00 0.00 -0.01 0.10 0.09 -0.02 0.29 0.20 0.02 0.00 -0.01 0.06 0.15 0.10 0.02 -0.02 -0.11 -0.01 -0.30 0.11 -0.06 0.00 -0.03 0.02 -0.02 0.01 0.01 -0.19 0.26 -0.17 0.24 -0.18 -0.16 0.02 -0.03 -0.01 -0.01 0.04 -0.03 0.03 0.04 -0.02 -0.00 0.00 -0.01 -0.31 0.21 0.21 0.22 -0.33 0.21 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.03 -0.14 -0.01 -0.02 0.03 0.04 0.04 0.12 0.00 0.01 -0.00 -0.01 -0.04 0.07 0.05 0.00 -0.05 -0.01 -0.00 0.04 -0.02 0.02 -0.02 -0.03 -0.07 0.03 -0.03 0.02 -0.01 0.03 0.00 -0.01 0.00 0.01 -0.03 0.02 -0.01 0.01 0.01 -0.01 0.00 -0.00 0.01 -0.01 -0.01 -0.02 0.03 0.01 0.00 -0.02 0.03 -0.04 -0.11 -0.01 0.01 0.00 -0.03 0.02 -0.01 -0.02 -0.02 0.02 -0.01 0.04 0.02 -0.04 0.00 -0.00 0.00 0.01 -0.02 0.06 0.12 0.18 -0.05 0.56 0.40 0.12 -0.23 -0.20 -0.04 0.33 -0.05 0.11 0.26 -0.02 0.13 -0.02 0.06 -0.04 0.00 -0.01 -0.01 -0.04 0.07 -0.03 0.02 -0.01 -0.01 0.02 -0.02 -0.02 -0.03 0.08 -0.05 -0.01 -0.11 -0.02 -0.01 0.00 0.02 -0.09 0.07 0.06 0.04 -0.06 0.05 -0.02 0.03 0.03 0.00 0.00 -0.00 0.02 0.03 0.01 -0.00 -0.00 0.00 -0.01 -0.02 -0.00 0.00 0.00 -0.00 0.01 0.03 0.01 -0.07 -0.06 0.01 -0.07 -0.05 -0.02 0.00 -0.01 -0.02 -0.00 0.02 -0.02 0.01 0.01 -0.03 -0.00 -0.00 -0.00 -0.01 0.04 -0.02 0.03 -0.05 -0.01 0.02 -0.02 0.00 -0.01 0.01 -0.00 0.01 -0.01 -0.00 -0.01 0.01 -0.00 0.00 0.01 0.00 -0.02 -0.00 0.05 -0.03 0.03 0.01 0.02 -0.03 0.02 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.28 0.20 0.01 0.31 0.23 0.03 0.29 0.18 0.13 0.34 0.17 0.08 -0.18 -0.00 -0.07 0.25 -0.01 0.10 0.05 -0.23 0.17 -0.17 0.21 0.11 0.03 -0.04 0.01 -0.06 0.04 0.02 0.06 -0.09 -0.04 -0.04 0.12 -0.08 0.04 0.04 -0.03 0.06 0.01 -0.16 0.10 -0.07 -0.07 -0.07 0.12 -0.08 -0.03 -0.01 0.03 0.00 0.00 -0.00 0.02 0.03 0.00 -0.00 -0.00 -0.00 -0.01 -0.02 -0.00 -0.00 0.00 0.00 0.02 0.01 -0.03 -0.04 -0.03 0.01 -0.05 -0.04 -0.01 -0.02 -0.01 0.05 0.00 0.01 -0.01 0.01 0.00 -0.01 -0.00 -0.01 0.00 0.02 -0.07 0.04 -0.05 0.07 0.02 0.01 -0.01 0.00 -0.01 0.01 -0.00 -0.00 0.01 -0.01 0.01 -0.01 -0.00 0.00 0.01 0.00 0.03 0.00 -0.08 -0.02 0.01 0.01 0.01 -0.02 0.01 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.14 0.11 0.03 0.16 0.08 0.04 0.16 0.10 0.09 0.26 0.12 0.07 -0.12 -0.00 -0.04 0.11 -0.00 0.05 -0.11 0.41 -0.31 0.27 -0.36 -0.18 0.01 -0.02 0.00 -0.02 0.02 0.01 -0.14 0.19 0.08 0.06 -0.21 0.14 0.03 0.03 -0.02 -0.11 -0.02 0.27 0.05 -0.03 -0.03 -0.03 0.05 -0.04 -0.02 -0.01 0.02 0.00 -0.00 0.00 0.04 0.02 -0.04 0.04 0.03 -0.03 -0.02 -0.07 -0.00 -0.00 0.00 0.01 0.03 -0.03 -0.03 0.03 -0.02 -0.01 -0.03 -0.02 0.02 -0.01 0.01 0.00 -0.14 0.05 -0.02 0.04 -0.02 0.01 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.01 0.00 0.01 0.03 -0.03 -0.01 0.01 -0.01 -0.00 -0.00 0.01 -0.01 0.02 0.09 0.02 -0.00 -0.00 0.01 0.03 -0.02 -0.02 -0.03 0.03 0.00 -0.06 -0.04 0.05 0.00 0.00 -0.01 0.32 0.21 0.04 -0.35 -0.19 -0.07 0.01 0.01 -0.01 0.08 0.00 0.05 0.60 0.02 0.22 0.30 -0.01 0.18 0.00 -0.03 0.02 -0.01 0.00 0.00 -0.03 0.06 -0.01 -0.03 0.02 0.04 -0.01 0.01 0.01 0.01 -0.05 0.03 -0.09 0.01 0.11 -0.00 -0.00 0.01 -0.12 0.09 0.08 0.02 -0.06 0.06 0.05 -0.04 -0.08 -0.00 -0.00 0.00 0.01 0.09 0.05 -0.08 -0.07 0.06 0.02 0.05 -0.00 -0.00 0.00 0.01 0.01 -0.02 -0.05 0.06 0.04 0.00 -0.05 -0.06 -0.01 0.00 -0.00 0.00 -0.04 -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 -0.00 -0.01 0.01 0.00 0.01 -0.01 0.00 0.01 -0.01 -0.01 -0.00 0.01 -0.01 -0.04 -0.12 -0.01 -0.00 -0.00 0.01 0.02 -0.02 -0.01 -0.02 0.02 -0.00 0.10 0.06 -0.09 0.00 0.00 -0.01 -0.10 -0.10 -0.04 -0.40 -0.24 -0.06 0.04 0.01 0.02 0.48 0.36 0.07 0.24 0.03 0.09 -0.03 -0.01 -0.01 0.00 -0.02 0.02 -0.03 0.03 0.02 0.00 -0.00 0.02 -0.01 0.01 0.02 -0.01 0.01 0.01 0.01 -0.02 0.02 0.25 0.12 -0.25 0.00 -0.00 0.00 -0.06 0.04 0.05 0.03 -0.05 0.04 -0.17 0.06 0.22 -0.00 0.00 0.00 0.04 -0.02 -0.03 0.04 0.04 -0.03 -0.01 -0.04 -0.00 -0.00 0.00 -0.00 -0.03 0.06 -0.02 0.08 0.05 0.01 -0.08 -0.05 -0.01 0.01 -0.02 -0.00 0.03 -0.03 0.02 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.01 -0.01 -0.01 -0.01 0.01 -0.00 -0.00 0.00 0.01 -0.00 0.01 -0.01 -0.00 -0.00 0.01 0.01 0.06 0.01 -0.00 0.00 0.00 0.01 -0.01 0.00 -0.00 0.00 -0.01 -0.05 -0.04 0.05 0.00 -0.00 -0.00 -0.46 -0.36 -0.08 -0.23 -0.09 -0.04 0.49 0.32 0.17 0.21 0.03 0.08 -0.08 -0.00 -0.02 -0.20 -0.02 -0.13 -0.00 0.02 -0.01 -0.04 0.05 0.02 0.02 -0.03 0.02 0.02 -0.02 -0.01 -0.00 0.01 -0.01 -0.02 0.05 -0.03 -0.09 -0.02 0.10 0.01 0.00 -0.02 0.00 -0.01 0.01 0.02 -0.03 0.02 0.05 -0.04 -0.08 0.00 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 0.02 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.04 -0.03 -0.04 0.15 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.11 -0.10 -0.02 -0.10 0.11 -0.02 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.01 -0.00 0.00 0.00 -0.08 0.10 -0.04 0.10 -0.08 -0.04 0.00 0.00 -0.00 -0.03 -0.03 0.12 -0.01 -0.02 -0.02 -0.11 -0.04 -0.04 0.02 0.01 -0.01 -0.00 0.01 0.00 0.35 -0.06 0.09 -0.18 0.10 0.03 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.19 0.33 -0.32 0.31 -0.16 -0.30 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.02 -0.01 -0.00 0.00 0.00 0.20 -0.09 -0.25 -0.08 0.21 -0.24 -0.01 0.00 0.01 -0.00 -0.00 0.00 0.20 0.08 -0.19 -0.07 -0.03 0.07 -0.01 -0.08 -0.02 0.00 -0.00 -0.00 -0.02 0.01 0.02 -0.00 -0.00 -0.01 -0.04 -0.04 0.10 -0.00 -0.00 0.01 0.01 -0.00 0.00 0.00 0.00 -0.01 0.00 -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 -0.01 0.01 -0.00 0.01 -0.01 0.01 -0.11 0.02 0.14 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.05 0.02 -0.05 0.00 0.00 -0.00 -0.03 -0.01 0.04 0.11 0.03 0.03 0.22 0.10 -0.43 -0.63 -0.05 -0.13 -0.06 -0.01 -0.02 -0.00 -0.00 -0.01 -0.00 0.02 -0.02 0.02 -0.01 -0.01 0.01 -0.02 0.01 -0.01 0.01 0.01 0.02 -0.02 -0.02 -0.01 0.04 -0.04 0.17 0.28 -0.07 0.02 0.00 -0.04 -0.01 0.00 0.01 0.00 -0.01 0.01 -0.15 0.01 0.19 0.00 -0.00 -0.00 -0.04 -0.02 0.04 0.02 0.02 -0.02 0.01 0.02 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.01 -0.03 0.00 -0.05 0.04 0.01 -0.00 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.02 0.01 -0.01 0.02 -0.00 0.02 -0.01 -0.03 0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.01 0.02 -0.00 0.00 0.00 -0.07 0.03 0.31 0.16 -0.24 0.13 0.20 0.05 -0.56 -0.15 0.59 -0.19 0.02 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.03 0.04 -0.00 0.02 0.03 -0.01 0.01 -0.01 -0.01 0.00 0.00 -0.03 0.03 0.03 0.01 -0.05 0.05 -0.03 -0.06 0.00 -0.03 -0.01 0.08 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.04 -0.01 -0.06 -0.00 0.00 0.00 0.02 0.01 -0.02 -0.01 -0.00 0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.02 0.00 0.05 0.01 -0.01 0.01 0.00 0.01 -0.01 0.05 0.01 -0.14 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.06 0.08 0.04 0.03 -0.08 0.06 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.07 -0.13 0.02 -0.07 0.12 -0.01 -0.01 0.00 0.01 0.04 0.01 -0.12 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.05 -0.14 -0.04 0.15 -0.07 -0.01 0.01 0.11 -0.04 -0.14 0.02 -0.02 -0.01 -0.00 -0.00 -0.01 -0.02 -0.02 -0.12 0.20 -0.13 0.11 0.16 0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.25 0.27 0.22 0.03 -0.25 0.28 0.01 0.02 -0.00 -0.22 -0.02 0.57 0.01 -0.00 -0.00 0.00 -0.01 0.00 -0.02 0.00 0.02 0.00 -0.00 -0.00 0.02 0.01 -0.02 -0.01 -0.01 0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.01 -0.01 0.03 -0.06 -0.01 0.02 -0.02 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 0.01 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 0.01 -0.00 -0.01 0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.01 0.01 -0.01 -0.00 0.00 0.00 -0.14 0.06 0.61 0.29 -0.48 0.26 -0.06 -0.00 0.30 0.11 -0.28 0.10 0.01 -0.09 0.03 0.02 -0.03 -0.07 0.00 -0.02 0.02 -0.02 0.04 0.03 -0.02 0.02 -0.02 -0.02 0.01 0.01 -0.00 0.00 0.00 0.00 -0.02 0.02 0.01 0.02 0.00 -0.01 -0.00 0.02 -0.01 0.01 0.00 -0.01 0.01 -0.01 -0.02 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 0.01 -0.00 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.02 -0.08 -0.03 -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 0.01 -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 0.01 -0.01 -0.00 0.00 -0.01 0.01 0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.04 -0.02 0.07 0.07 -0.03 0.03 0.00 0.00 0.04 0.01 -0.03 0.01 0.13 0.68 -0.17 -0.19 0.32 0.58 -0.00 -0.00 0.00 -0.01 0.01 0.01 0.01 -0.01 0.01 -0.02 0.01 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 -0.03 0.02 0.02 -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 -0.00 -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 -0.00 -0.03 0.01 -0.00 0.10 -0.09 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.02 0.06 -0.09 -0.06 0.01 0.09 0.01 -0.01 -0.00 0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.11 0.06 0.10 -0.07 0.12 -0.11 0.00 0.00 -0.00 0.09 -0.10 0.00 0.02 0.03 0.08 0.03 -0.06 0.03 -0.00 -0.00 0.01 0.01 -0.01 0.00 0.01 0.11 -0.02 -0.04 0.06 0.08 -0.01 0.02 -0.01 -0.02 0.03 0.01 0.26 -0.31 0.14 0.32 -0.24 -0.14 -0.01 0.02 0.01 -0.01 0.02 -0.01 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.35 -0.27 -0.20 0.27 -0.37 0.19 -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 0.01 -0.03 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.06 0.11 -0.01 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.07 0.10 0.06 -0.05 -0.08 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.08 -0.09 -0.08 0.01 -0.10 0.12 0.00 -0.00 -0.00 -0.05 0.09 -0.02 0.01 -0.00 -0.01 0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.02 0.02 0.03 0.00 -0.05 0.02 -0.02 -0.02 -0.02 0.01 0.02 -0.00 0.01 -0.02 0.01 0.01 -0.01 -0.01 -0.13 0.39 -0.22 -0.26 0.38 0.10 -0.01 0.02 -0.01 -0.02 0.01 0.01 -0.25 0.35 0.11 -0.13 0.39 -0.24 0.00 -0.00 -0.00 -0.06 0.11 -0.02 -0.02 0.01 0.01 -0.01 0.02 -0.01 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.06 -0.12 0.02 -0.10 -0.03 0.10 -0.12 -0.15 0.07 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 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.17 0.24 -0.10 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.19 0.08 -0.19 -0.00 0.00 0.00 -0.01 -0.01 -0.02 -0.01 0.01 -0.01 0.14 0.10 -0.11 -0.04 0.09 -0.02 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 0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.40 -0.24 0.36 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.01 0.01 -0.00 -0.37 0.06 0.45 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 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 0.01 -0.04 -0.09 -0.08 0.35 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 0.11 -0.20 0.14 -0.04 -0.21 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.14 0.03 0.22 0.00 -0.11 0.20 0.00 -0.00 -0.00 0.09 0.07 -0.34 -0.02 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.20 -0.14 0.07 -0.16 0.07 -0.03 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.23 -0.21 -0.01 -0.26 0.22 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 0.23 -0.23 -0.01 -0.20 0.19 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 -0.02 0.00 0.04 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.10 0.02 -0.28 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.01 -0.00 -0.02 -0.11 0.19 -0.10 0.07 0.16 -0.01 0.01 -0.00 -0.01 0.01 0.00 0.11 -0.05 -0.19 0.04 0.08 -0.20 -0.00 -0.00 0.00 -0.13 -0.02 0.34 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 -0.03 -0.01 0.02 0.06 -0.02 0.02 0.01 -0.00 -0.04 -0.01 -0.02 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.14 0.31 -0.10 0.15 -0.26 0.01 0.00 -0.01 0.01 0.01 -0.01 -0.01 -0.10 0.22 -0.08 0.13 -0.21 -0.01 0.00 0.00 0.00 0.18 0.03 -0.46 -0.01 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 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.01 0.02 0.01 -0.03 0.03 -0.00 0.17 -0.17 0.03 -0.00 -0.00 0.00 0.01 -0.02 0.00 0.02 -0.03 -0.01 -0.20 0.24 -0.11 -0.23 0.19 0.08 -0.02 0.02 0.01 -0.01 0.02 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.01 0.18 -0.16 -0.04 0.17 -0.20 0.06 0.00 0.00 -0.00 -0.08 0.09 -0.02 0.02 0.03 0.03 0.02 -0.02 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.01 -0.04 0.02 -0.01 0.00 0.02 -0.02 -0.03 0.04 0.02 0.21 -0.32 0.26 0.31 -0.17 -0.26 0.02 -0.03 -0.01 -0.00 -0.01 0.02 0.00 0.00 -0.00 0.00 -0.01 0.02 -0.16 0.07 0.20 -0.09 0.20 -0.20 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 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 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.09 -0.17 0.02 -0.00 0.00 0.00 0.02 -0.02 0.00 0.00 -0.00 -0.00 -0.10 0.25 -0.11 -0.17 0.26 0.04 -0.02 0.02 -0.01 -0.02 0.02 0.01 0.15 -0.23 -0.04 0.10 -0.24 0.09 -0.00 -0.00 0.00 -0.07 0.12 -0.00 0.02 -0.02 -0.00 0.02 -0.02 0.01 -0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.02 -0.01 0.01 0.01 -0.00 0.00 0.01 0.01 0.02 0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.05 -0.29 0.28 0.25 -0.28 -0.21 0.02 -0.03 0.03 0.03 -0.02 -0.03 -0.19 0.20 0.17 -0.02 0.22 -0.26 0.00 0.00 -0.00 -0.06 0.14 -0.05 -0.02 0.01 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 0.00 0.00 -0.00 0.21 -0.25 -0.50 0.03 -0.04 -0.08 0.01 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 -0.28 0.33 0.67 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -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 -0.03 -0.00 -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 -0.00 -0.00 -0.00 0.00 -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 0.00 0.00 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 -0.03 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -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 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.35 -0.47 0.10 -0.09 0.11 0.24 -0.03 0.04 -0.00 0.01 -0.01 -0.02 -0.10 0.07 0.31 0.21 0.56 -0.29 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -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 0.04 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -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 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.36 0.47 -0.10 0.14 -0.16 -0.38 0.04 -0.06 0.00 -0.01 0.01 0.03 -0.12 0.09 0.39 0.17 0.43 -0.22 0.00 -0.00 -0.00 -0.00 -0.01 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 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -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 -0.05 0.04 -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 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.05 -0.05 -0.12 -0.46 0.74 -0.04 0.16 -0.11 -0.40 -0.03 0.03 0.11 -0.02 -0.06 0.03 0.00 -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 -0.01 -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 -0.03 0.04 0.02 -0.00 0.01 -0.01 -0.00 -0.00 0.00 0.03 0.02 -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 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.22 -0.30 0.07 0.13 -0.14 -0.37 0.08 -0.12 0.01 -0.04 0.03 0.09 -0.19 0.16 0.61 -0.15 -0.40 0.19 -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 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.04 -0.04 -0.05 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 0.01 -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 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.21 0.28 -0.07 -0.22 0.26 0.65 -0.00 0.00 -0.00 0.02 -0.01 -0.05 -0.15 0.12 0.48 -0.07 -0.19 0.09 0.00 -0.00 -0.00 0.00 0.02 -0.03 0.01 -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 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.04 -0.05 -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 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 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 0.04 -0.24 0.37 -0.03 -0.30 0.21 0.81 -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 -0.00 -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 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.05 -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 -0.01 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 0.01 -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 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.01 0.15 -0.53 0.80 0.00 0.00 -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 0.10 -0.03 -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 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 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 0.01 -0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 -0.04 -0.02 0.01 0.03 0.00 -0.00 -0.00 0.02 -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 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.15 -0.11 -0.21 -0.02 -0.10 0.19 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.05 -0.28 0.52 0.23 -0.17 -0.31 -0.00 0.00 0.00 -0.27 0.51 -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 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 0.02 -0.00 -0.01 0.03 0.03 -0.01 -0.05 -0.00 -0.00 0.00 0.00 0.01 -0.03 0.02 -0.01 -0.03 0.00 -0.00 -0.00 -0.00 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 0.01 -0.01 -0.02 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.14 -0.10 -0.20 0.03 0.17 -0.31 -0.37 0.09 0.55 -0.00 0.00 -0.01 -0.03 -0.17 0.32 -0.23 0.16 0.31 -0.00 0.00 0.00 0.03 -0.05 0.01 -0.03 0.11 -0.16 -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 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 -0.02 0.00 0.01 -0.03 0.03 -0.01 -0.05 -0.00 0.00 0.00 -0.00 -0.01 0.03 -0.02 0.01 0.03 -0.00 0.00 0.00 0.00 -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 -0.01 0.01 0.02 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 0.01 0.02 -0.00 -0.00 0.00 -0.14 0.10 0.19 -0.03 -0.16 0.30 -0.38 0.09 0.56 0.00 -0.00 0.00 0.03 0.17 -0.31 0.23 -0.16 -0.31 0.00 -0.00 -0.00 -0.03 0.05 -0.00 -0.03 0.11 -0.16 -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 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.03 -0.02 -0.04 -0.00 -0.02 0.04 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 0.03 -0.05 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 -0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.30 0.22 0.42 0.05 0.25 -0.48 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.04 -0.08 -0.03 0.02 0.05 0.00 -0.00 -0.00 -0.29 0.53 -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 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.03 -0.02 -0.04 0.00 0.02 -0.04 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.02 -0.04 0.02 -0.01 -0.02 -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 -0.01 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 -0.34 0.25 0.47 -0.04 -0.22 0.42 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.04 -0.23 0.42 -0.20 0.14 0.26 0.00 -0.00 -0.00 0.05 -0.10 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 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 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 0.02 -0.03 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.02 0.03 0.03 -0.02 -0.04 -0.00 -0.00 0.00 0.02 -0.04 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 -0.00 0.00 -0.01 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 0.15 -0.11 -0.20 -0.04 -0.20 0.38 -0.00 0.00 0.01 -0.00 0.01 -0.01 0.04 0.18 -0.33 -0.31 0.22 0.43 0.00 -0.00 -0.00 -0.24 0.45 -0.07 -0.00 0.01 -0.01 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 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 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 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.05 -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 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.02 -0.00 -0.02 0.03 0.00 -0.00 -0.01 0.03 -0.10 0.15 0.00 0.01 -0.03 -0.03 0.02 0.04 0.00 -0.00 -0.00 -0.02 0.04 -0.01 0.01 -0.05 0.07 -0.54 0.15 0.79 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -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 -0.02 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 -0.01 0.05 -0.07 -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 0.01 -0.15 0.04 0.22 -0.00 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 0.15 -0.53 0.78 0.04 -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 0.01 -0.04 -0.03 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.07 -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 -0.11 0.42 0.31 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.15 0.81 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 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 -0.06 -0.05 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.05 0.01 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 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.18 0.66 0.50 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.09 -0.51 -0.11 17 7 7 7 7 6 6 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 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 7 7 7 7 6 6 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 1 1 1 34.96885 14.00307 14.00307 14.00307 14.00307 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 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 1.00783 1.00783 1.00783 336.11417 0.99998 0.00562 -1.0E-5 -0.00562 0.99956 -0.02906 -1.6E-4 0.02906 0.99958 asymmetric 1 0.02134 0.00731 0.00633 0.44472 0.15238 0.13180 850149.6 22.88 37.85 57.63 69.65 90.07 103.07 115.88 131.18 177.15 183.21 204.13 245.04 284.80 367.22 372.03 406.46 423.79 521.70 534.97 551.74 573.56 588.81 589.53 606.62 623.69 653.73 757.68 786.26 871.16 910.04 916.66 922.53 932.74 958.70 994.22 1013.13 1021.00 1050.74 1088.51 1115.60 1143.26 1185.30 1198.94 1222.20 1226.39 1243.33 1296.57 1322.74 1334.58 1364.52 1384.19 1401.38 1408.03 1418.74 1433.37 1450.73 1466.40 1472.17 1485.86 1493.30 1518.04 1541.79 1566.32 1586.44 1618.21 1646.71 1672.13 1701.95 1718.11 1721.56 1746.39 1760.23 1762.43 1768.07 1795.15 1874.44 1885.23 1899.86 1915.91 1925.94 1950.38 1961.06 1967.11 1992.75 2009.02 2014.00 2075.08 2089.79 2130.54 2132.07 2150.31 2155.82 2193.35 2201.80 2217.37 2322.90 2340.69 2356.42 2367.23 3370.36 4356.33 4370.84 4411.22 4418.49 4436.83 4510.75 4535.50 4554.12 4565.96 4566.43 4578.30 4588.17 4597.90 4598.55 4607.90 4672.57 4678.80 0.323805 0.344314 0.345258 0.271826 -1413.428733 -1413.408224 -1413.407280 -1413.480712 216.060 78.931 154.550 0.000 0.000 0.000 0.889 2.981 43.332 0.889 2.981 34.841 214.283 72.969 76.377 1 0.593 1.986 7.090 2 0.593 1.985 6.090 3 0.594 1.981 5.256 4 0.595 1.978 4.881 5 0.597 1.972 4.373 6 0.598 1.968 4.108 7 0.600 1.962 3.878 8 0.602 1.955 3.635 9 0.610 1.930 3.051 10 0.611 1.926 2.986 11 0.615 1.911 2.778 12 0.625 1.879 2.432 13 0.637 1.843 2.152 14 0.666 1.754 1.694 15 0.667 1.748 1.671 16 0.682 1.706 1.518 17 0.689 1.684 1.448 18 0.736 1.549 1.111 19 0.744 1.530 1.072 20 0.753 1.505 1.025 21 0.765 1.473 0.968 22 0.774 1.450 0.929 23 0.774 1.449 0.928 24 0.784 1.423 0.886 25 0.794 1.397 0.847 26 0.813 1.351 0.783 27 0.882 1.191 0.595 28 0.902 1.147 0.552 29 0.964 1.020 0.440 0.809913e+24 23.908438 55.051213 0.364134e+09 8.561261 19.713033 0.100000e+01 0.000000 0.000000 0.242206e+09 8.384184 19.305297 0.918317e+07 6.962993 16.032883 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1413.752538 4.851E-9 1.005E-5 0.3238049 0.344314 -1413.4082241 -1413.4072799 -1413.4807117 -12.1208412,2.9740083,9.1468329,4.3499844,-8.87658,-6.4436455 C01 [X(C19H17Cl1N4)] 0.4884052 -0.4313804 1.4759895 -0.5871128 -0.3180827 0.0505171 -0.4158596 -0.3313132 0.0416745 0.0760346 0.046984 -0.096947 -0.3292216 0.1957637 -0.1011759 0.3584814 -0.3643773 0.260481 -0.2052473 0.2772665 -0.2940883 -0.3646661 0.0275039 -0.0994724 -0.242306 -0.0463759 -0.1877288 -0.1610629 -0.0339836 -0.3602412 -0.4314307 0.0419319 -0.0998269 0.2376442 -0.6096375 0.0808658 -0.1647556 0.0630259 -0.3725495 -0.3300974 -0.0123451 -0.0149517 -0.013548 -0.3403304 -0.0073032 -0.0186415 -0.0195124 -0.238754 0.1769488 0.0674862 0.0017939 0.1083453 0.1994715 0.0390565 0.0456655 0.0511491 0.0301554 0.0615711 -0.03627 0.0246086 -0.1420043 0.0267228 -0.0933467 0.0645488 -0.1159096 0.1277749 0.4638233 -0.2652531 -0.001647 -0.3273434 0.3427832 -0.13993 0.0768624 -0.2304537 0.243616 0.036745 0.1216995 -0.0400405 0.1444434 0.0408985 -0.0424534 -0.0687811 -0.0730883 -0.0865324 0.0965083 -0.0095178 0.0245111 0.0865783 0.1612196 -0.0235808 0.012227 0.0349322 0.0805419 0.1787289 0.1118787 -0.0147304 0.1152395 -0.0788515 -0.0021996 -0.0748556 -0.023546 -0.0750457 0.0300033 0.0495405 0.042793 0.0277661 0.096269 0.0489851 0.0516028 0.093283 0.0619183 -0.1090118 0.0178526 0.0380063 0.0377305 -0.0981805 0.0721563 0.0413264 0.0358145 -0.0436434 -0.109155 -0.0213519 -0.0060994 -0.0186488 -0.1302058 -0.0349683 0.0436624 0.0044561 0.0364932 -0.0877224 0.0425441 0.0604244 0.0155764 -0.0703786 0.0013197 0.0523859 0.0000157 0.0232391 -0.1280048 0.0509025 -0.0456247 0.0553695 -0.0828589 0.0043514 -0.0049831 -0.0355332 0.088768 -0.0953498 0.0361408 -0.0152596 0.0483229 -0.0732438 -0.0472089 0.0028617 -0.0392284 0.1490144 -0.0456624 0.0840355 0.077387 0.0661068 -0.0217768 0.0711605 0.0488437 0.0485421 0.0085807 0.3370704 -0.1658441 0.1964395 -0.1497755 0.2386264 -0.1577229 0.4029999 -0.2327027 0.3348793 -0.0514899 0.1072135 -0.0362696 0.0796813 0.0081884 -0.0360129 -0.0378015 -0.0460789 -0.0280001 -0.2179266 -0.0897148 -0.0257333 -0.0928258 -0.1413668 -0.0522002 -0.0337532 -0.0207352 0.0306204 -0.2052083 -0.0424365 0.0747438 -0.0572304 -0.1470409 0.0669981 0.1168389 0.0579367 0.0140409 0.0809311 0.0851319 0.1450252 0.0459524 0.4240673 0.0893244 0.0872945 0.1057072 0.2056394 0.7666879 0.5383614 -0.0819079 0.6627123 0.4158146 -0.0683968 -0.1334805 -0.066844 0.0333489 -0.1276602 -0.080697 0.0607013 -0.0674737 -0.0316137 0.0700086 0.0493947 0.0586123 0.038587 0.0409231 0.0052934 -0.0696896 0.030866 -0.0065577 -0.0747034 -0.0500981 -0.0808011 -0.031918 -0.059835 -0.0647126 0.0334773 0.0048089 -0.0514616 0.0797622 -0.0100899 0.0464753 0.0540025 0.0515156 0.0437659 -0.0533068 -0.0062439 0.028534 -0.0589996 -0.0582881 -0.002445 0.009173 0.0100143 -0.0328864 0.0049032 -0.0394344 0.0365154 -0.0315788 -0.0158974 -0.0939328 -0.040486 -0.0459216 0.0363018 -0.0413353 -0.0070782 -0.0532008 0.0785926 0.0013136 0.125024 -0.024371 0.0862134 -0.0507798 -0.0334956 -0.0569043 0.0609892 -0.0352044 -0.0475684 -0.0412115 0.0469457 0.1133549 -0.0242472 0.0038237 -0.0393251 0.0841423 0.0506278 0.0044548 0.049281 -0.0593732 0.0415829 -0.0772825 -0.0658913 -0.0676882 0.0885114 -0.0180243 -0.0590729 -0.0163101 -0.0048581 0.0687016 -0.059193 0.0753241 -0.0525722 0.0768673 0.0343214 0.0590258 0.041871 -0.0524686 0.1012353 -0.0341603 0.0065103 -0.0383133 0.0783348 0.0224596 0.0082934 0.0389988 -0.0751946 0.0571638 -0.0866893 -0.049221 -0.0726664 0.0574207 -0.0371917 -0.0489649 -0.0440387 0.0000001 0.1787844 -0.0070482 -0.0088008 -0.0038677 0.0300386 0.0060101 -0.0176458 -0.0053754 0.1028975 0.0533105 -0.1037935 0.0316265 -0.0915859 0.0120484 0.034831 0.0233751 0.0391157 0.0573728 0.1015305 -0.0304195 0.0171744 -0.0609611 0.0898332 0.0390669 0.0286736 0.0237017 -0.0034358 0.0685049 -0.042881 -0.0442432 -0.0682069 0.0907744 -0.040578 -0.0495967 -0.0284832 0.0137546 0.1236232 -0.0077414 -0.0210678 0.0062377 -0.0092993 -0.002721 -0.0371012 0.0080209 0.096543 259.3986182|35.0390875|231.7108057|15.5949912|-11.3783174|220.6268452 0.000031654 0.000014866 -0.000002457 -0.000003557 -0.000019333 -0.000021006 0.000009623 0.000024631 -0.000005015 -0.000001855 0.000001760 0.000005372 -0.000000788 -0.000006772 0.000002480 0.000001985 -0.000023054 -0.000010677 0.000010953 -0.000001949 0.000006757 -0.000016624 0.000012369 0.000006493 -0.000006286 0.000005381 0.000009692 -0.000031527 -0.000003768 0.000008539 0.000016448 0.000008891 -0.000012978 -0.000003612 0.000024024 -0.000004454 0.000002362 0.000004278 0.000001356 -0.000007715 -0.000002992 -0.000005358 -0.000000399 -0.000020087 0.000012855 0.000002607 -0.000004814 -0.000002895 -0.000005951 -0.000005963 -0.000004344 0.000005766 -0.000000375 -0.000000961 0.000001637 0.000011051 0.000012288 0.000007757 0.000001002 0.000004385 0.000016156 0.000012216 -0.000006239 0.000012821 0.000003155 0.000012203 -0.000000448 -0.000014958 0.000004630 -0.000047393 -0.000028110 -0.000004346 0.000002070 0.000001388 0.000006591 0.000000228 -0.000002914 0.000001010 0.000003797 -0.000004082 -0.000009083 -0.000002614 -0.000002425 0.000001115 0.000005010 -0.000001471 -0.000000012 0.000010177 0.000000166 -0.000005541 -0.000002309 -0.000000096 -0.000001120 0.000005235 0.000000178 0.000002299 -0.000005796 0.000006017 -0.000000579 -0.000005686 0.000003788 0.000001273 0.000002786 -0.000001370 -0.000000558 -0.000000297 0.000000538 0.000001454 0.000002290 -0.000001769 -0.000001769 -0.000000595 0.000001806 -0.000001250 -0.000003998 0.000002223 0.000001992 -0.000004867 0.000004336 -0.000002531 0.000000953 0.000002236 0.000000388 319.6830999999998 AuxInfo=1/0/N:20,17,18,13,14,15,16,21,22,10,7,12,8,23,19,11,9,24,6,1,5,4,3,2/E:(2,3)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,12.2,14.3,15.3,16.3,17.3,18.3,21.1,22.2,23.2/rA:41ClNN2N2N1CCCC3CC3C2C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;s2;;;;s6;s2s6;s6;s7;s10;s5s6;s9;s9;s11;s11;s13;s14;s2s4;s17s18;s15;s16;s3s4;s1s21s22;s7;s7;s8;s8;s10;s10;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 12-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 117 C1[X(C19H17ClN4)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=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 0 319.6830999999998 AuxInfo=1/0/N:20,17,18,13,14,15,16,21,22,10,7,12,8,23,19,11,9,24,6,1,5,4,3,2/E:(2,3)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,12.2,14.3,15.3,16.3,17.3,18.3,21.1,22.2,23.2/rA:41ClNN2N2N1CCCC3CC3C2C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;s2;;;;s6;s2s6;s6;s7;s10;s5s6;s9;s9;s11;s11;s13;s14;s2s4;s17s18;s15;s16;s3s4;s1s21s22;s7;s7;s8;s8;s10;s10;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/fenbuconazole/gas/CONF2/opt-b #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 fenbuconazole CONF2 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 14 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 14.0030740 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 2 2 2 2 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 1 1 1 14.2400000 4.5500000 4.5500000 4.5500000 4.5500000 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 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 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 662 A 638 A 638 1017 662 88 88 2146.0571707799 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 -0.0545436395 0.000000 8.689737 0.000000 8.577188 1.360560 0.000000 9.968746 2.193528 2.263745 0.000000 8.485527 3.795353 5.003851 4.725156 0.000000 6.975415 2.526359 3.419128 4.385485 2.623325 0.000000 6.756038 3.839753 4.669615 5.860855 3.410672 1.561865 0.000000 8.140436 1.448590 2.438871 3.608213 3.423419 1.568506 2.518275 0.000000 5.890231 2.911571 3.267888 4.403934 3.501209 1.535439 2.606778 2.535024 0.000000 6.059262 5.150076 5.962004 6.997322 3.712130 2.643100 1.544271 3.955564 3.245075 0.000000 4.551282 5.729077 6.269923 7.473924 4.657829 3.314831 2.566351 4.705363 3.199545 1.512334 0.000000 7.731706 3.031549 4.176725 4.383913 1.153032 1.470967 2.438950 2.450240 2.475858 3.019842 3.904253 0.000000 6.031516 3.409052 3.689674 4.215629 3.498089 2.557049 3.781007 3.504482 1.394924 4.125580 3.940833 2.808881 0.000000 5.147769 3.619355 3.540671 5.189394 4.847525 2.536676 3.076006 3.185388 1.397470 3.691829 3.254789 3.769712 2.403935 0.000000 4.019156 6.018911 6.494224 7.449625 4.667764 3.759485 3.531194 5.265125 3.231007 2.536901 1.396070 4.074606 3.462350 3.448216 0.000000 4.018462 6.389107 6.731076 8.249546 5.919361 4.169573 3.248245 5.317718 3.932230 2.523998 1.398158 5.053811 4.835973 3.472206 2.398995 0.000000 5.463829 4.414452 4.313083 4.887807 4.827815 3.839435 4.931187 4.675712 2.422375 5.136608 4.582628 4.198218 1.394315 2.778102 3.852197 5.267005 0.000000 4.459485 4.583218 4.194369 5.756466 5.876061 3.822370 4.406670 4.441976 2.421365 4.784859 3.995662 4.889887 2.779010 1.389318 3.827565 4.038225 2.405769 0.000000 9.537121 1.355259 2.216860 1.319192 3.603065 3.322049 4.738296 2.540702 3.709432 5.897688 6.549947 3.228648 3.760418 4.663385 6.658553 7.389009 4.755605 5.502319 0.000000 4.640019 4.927166 4.549273 5.629341 5.873366 4.338869 5.187841 5.066553 2.803678 5.415220 4.604232 5.067607 2.414758 2.413304 4.016998 4.917155 1.390942 1.394282 5.548706 0.000000 2.727295 6.854560 7.097858 8.154919 5.896816 4.828217 4.698024 6.237954 3.946768 3.819070 2.429402 5.277041 3.999704 3.799724 1.391822 2.781762 3.896304 3.678771 7.531057 3.727813 0.000000 2.728019 7.188092 7.320972 8.901522 6.940346 5.159618 4.489331 6.285833 4.547344 3.811462 2.432157 6.074007 5.247461 3.826082 2.784576 1.391656 5.314119 3.904157 8.192894 4.695940 2.421473 0.000000 9.374887 2.091558 1.320992 1.363076 5.393818 4.355143 5.754834 3.479146 4.113169 6.964667 7.263012 4.783446 4.118961 4.545945 7.304210 7.834883 4.584734 4.981442 2.097473 5.005906 7.862667 8.366156 0.000000 1.760213 7.377172 7.469991 8.835266 6.911146 5.417663 5.072236 6.674252 4.529922 4.301034 2.791549 6.147529 4.859193 3.955250 2.397803 2.396746 4.663307 3.699518 8.234968 4.090019 1.389986 1.391211 8.356772 0.000000 7.797460 4.033599 5.029463 6.057689 3.432254 2.156052 1.094683 2.636950 3.510608 2.156257 3.471053 2.657384 4.619073 4.066042 4.475690 4.117372 5.862063 5.430558 4.831108 6.204079 5.709801 5.432470 6.084296 6.093454 0.000000 6.477860 4.053321 4.622680 6.180089 4.427486 2.166393 1.092780 2.726713 2.833882 2.169347 2.738942 3.378130 4.177345 2.786280 3.855262 2.928798 5.146954 4.092248 5.164936 5.116504 4.804680 4.094221 5.838136 4.883008 1.753695 0.000000 9.000475 2.082604 3.232362 4.014697 3.378139 2.194066 2.758754 1.091939 3.479936 4.189142 5.215357 2.631014 4.387931 4.197761 5.885499 5.873812 5.644574 5.497548 2.811698 6.118773 6.984935 6.977559 4.126411 7.451871 2.420204 3.105991 0.000000 7.927140 2.044013 2.478386 4.202078 4.430407 2.175435 2.690250 1.088948 2.818748 4.187205 4.772531 3.383152 3.990905 2.962053 5.480749 5.097197 4.977011 4.198071 3.343395 5.069989 6.325452 5.996347 3.732843 6.534858 2.893134 2.442100 1.774335 0.000000 6.545221 5.283768 6.232293 6.919283 3.022415 2.825736 2.170059 4.228101 3.494351 1.093402 2.151655 2.634919 4.066421 4.263447 2.651457 3.409047 5.155014 5.302103 5.794068 5.688662 4.038639 4.577159 7.086191 4.810888 2.552990 3.066945 4.366143 4.705536 0.000000 6.540331 5.947747 6.786439 7.884991 4.475444 3.527992 2.138247 4.636594 4.267361 1.094600 2.138497 3.882098 5.213333 4.573270 3.320326 2.731026 6.209503 5.671923 6.730683 6.407248 4.508777 4.090433 7.848346 4.801454 2.344602 2.540202 4.693169 4.764636 1.750657 0.000000 6.851269 3.497053 4.038992 4.001899 2.792212 2.766281 4.072524 3.696553 2.153836 4.358694 4.426545 2.428548 1.083329 3.390996 3.891442 5.512576 2.143323 3.862263 3.479366 3.390264 4.595668 6.044775 4.258871 5.626016 4.740468 4.692332 4.392272 4.422967 4.034909 5.433712 0.000000 5.408759 3.859339 3.794897 5.692351 5.287755 2.736923 2.823876 3.142835 2.159028 3.600662 3.284040 4.150351 3.392111 1.082696 3.869698 3.185336 3.860630 2.133752 5.072225 3.386001 4.280858 3.672171 4.976120 4.171319 3.731811 2.174743 4.051206 2.608056 4.386788 4.285155 4.297008 0.000000 4.866135 5.855363 6.461419 7.089330 3.962422 3.663566 3.698709 5.220511 3.249741 2.743346 2.149897 3.587546 3.164971 3.861674 1.083960 3.385034 3.696729 4.298119 6.286724 4.226433 2.139416 3.868394 7.131388 3.376643 4.535241 4.279488 5.772394 5.643515 2.420645 3.616985 3.302488 4.434584 0.000000 4.867472 6.533602 6.897935 8.541182 6.280895 4.397039 3.210700 5.328751 4.433720 2.722826 2.153561 5.378443 5.524229 3.916671 3.386522 1.085780 6.072095 4.645839 7.620065 5.691377 3.867509 2.139860 8.092008 3.377511 3.887780 2.674259 5.762822 4.975539 3.749388 2.585468 6.186509 3.340973 4.287902 0.000000 5.956550 5.105692 5.007208 5.173578 5.227393 4.702350 5.852953 5.525892 3.399228 5.960806 5.410053 4.802752 2.146499 3.861989 4.495390 6.172015 1.083949 3.391967 5.197934 2.151794 4.441115 6.149243 5.024260 5.329487 6.741053 6.160906 6.441778 5.926896 5.831598 7.043671 2.457394 4.944544 4.168813 7.035325 0.000000 4.194281 5.371200 4.832502 6.584899 6.881407 4.679241 5.051396 5.175486 3.398903 5.409899 4.497571 5.856091 3.862523 2.143026 4.449954 4.199008 3.390281 1.083565 6.384865 2.153174 4.086454 3.813967 5.666763 3.732948 6.062747 4.535742 6.215635 4.736303 6.058867 6.178342 4.945788 2.446941 5.088408 4.708402 4.291864 0.000000 9.944820 2.143638 3.244487 2.146906 2.974425 3.445958 4.760360 2.881350 4.109233 5.803849 6.627218 2.915265 4.104033 5.243019 6.731697 7.600237 5.238600 6.174609 1.079085 6.179488 7.732512 8.508842 3.155560 8.546403 4.696825 5.375260 2.832155 3.858374 5.532309 6.585858 3.579055 5.645498 6.233839 7.828479 5.610180 7.114078 0.000000 4.530572 5.888282 5.373436 6.385699 6.877661 5.422592 6.234482 6.112369 3.887383 6.381660 5.436633 6.119565 3.398793 3.395273 4.738922 5.626478 2.152559 2.153249 6.455679 1.083778 4.165925 5.165382 5.704396 4.400061 7.265587 6.113417 7.175308 6.068116 6.654703 7.348418 4.285675 4.277600 4.981240 6.436175 2.485461 2.482981 7.121474 0.000000 2.862603 7.314591 7.512667 8.366638 6.235375 5.457265 5.544016 6.869515 4.445787 4.689459 3.410791 5.738881 4.155474 4.414280 2.156041 3.863797 3.797371 4.068930 7.852996 3.741718 1.082087 3.399426 8.128269 2.148066 6.548634 5.735204 7.648799 7.042283 4.728859 5.436986 4.655753 5.062344 2.471562 4.949523 4.086994 4.519045 8.045733 3.984922 0.000000 2.862909 7.872380 7.895659 9.631994 7.917084 5.978353 5.234724 6.956422 5.376175 4.680170 3.415351 7.002943 6.148946 4.466516 3.867096 2.158461 6.136870 4.438163 8.960333 5.344231 3.399352 1.082559 8.987228 2.149152 6.121643 4.665484 7.645783 6.523674 5.530558 4.815016 7.006284 4.142431 4.950906 2.474529 6.989796 4.089735 9.339919 5.702506 4.288502 0.000000 9.698580 3.132003 2.099171 2.153746 6.407391 5.303217 6.677977 4.463251 4.864153 7.862193 8.028620 5.794355 4.773259 5.100579 8.005083 8.510689 4.960615 5.287836 3.138067 5.226730 8.418798 8.909215 1.079064 8.843448 7.067693 6.668941 5.148852 4.570698 8.025282 8.760943 4.998221 5.546380 7.878323 8.791717 5.305498 5.851600 4.167002 5.752197 8.621083 9.467317 0.000000 C19H17ClN4 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 0 319.6830999999998 AuxInfo=1/0/N:20,17,18,13,14,15,16,21,22,10,7,12,8,23,19,11,9,24,6,1,5,4,3,2/E:(2,3)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,12.2,14.3,15.3,16.3,17.3,18.3,21.1,22.2,23.2/rA:41ClNN2N2N1CCCC3CC3C2C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;s2;;;;s6;s2s6;s6;s7;s10;s5s6;s9;s9;s11;s11;s13;s14;s2s4;s17s18;s15;s16;s3s4;s1s21s22;s7;s7;s8;s8;s10;s10;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4447190 0.1523828 0.1318041 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= 638 RedAO= T EigKep= 1.08D-06 NBF= 638 NBsUse= 635 1.00D-06 EigRej= 8.86D-07 NBFU= 635 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= 657 657 657 657 657 MxSgAt= 41 MxSgA2= 41. 1 Closed 1 1 1 -1413.75253803870 -1413.75253804 1 1.408542616164e+03 -7.599955131471e+03 2.631657350128e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830260911 LenY= 2829822005 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. PT460.700S Mon Jul 12 23:31:25 2021 GINC-CIBELES19 PAULAPLA 12-Jul-2021 0 Wavefunction fenbuconazole CONF2 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1413.752538 RMSD=6.499e-09 Dipole=0.4884046,-0.4313811,1.4759872 Quadrupole=-12.1208355,2.9740013,9.1468342,4.3499807,-8.8765777,-6.4436475 PG=C01 [X(C19H17Cl1N4)] 0 5.1401031034 0.9423660511 0.2868314992 0 -3.5405176434 0.5450150044 0.2653307375 0 -3.3835962264 1.8803415278 0.4736658077 0 -4.6779463641 1.5059280192 -1.3454037655 0 -2.3600688464 -2.6093153732 -1.4843678813 0 -1.5553414435 -1.0086335007 0.4318959246 0 -0.8614590333 -1.9133542587 1.4993367958 0 -2.8452728053 -0.4149535453 1.0981022506 0 -0.6815338007 0.1351400393 -0.1027206608 0 0.3694011091 -2.7187787436 1.0291796107 0 1.6162191008 -1.8860909532 0.8311131415 0 -1.9912253684 -1.8901352972 -0.6620441785 0 -0.6069939925 0.4177360451 -1.4666842784 0 0.0173081043 0.9486407966 0.7932467729 0 2.0621878596 -1.536503294 -0.4447831427 0 2.3145119895 -1.3906271777 1.9364408244 0 0.1746871034 1.4753249922 -1.9299284986 0 0.8068300261 1.9948251459 0.3324239761 0 -4.3125995414 0.3474747529 -0.8308414887 0 0.8918268735 2.2608399368 -1.0336043027 0 3.1450759777 -0.6802019779 -0.6216168141 0 3.4020824578 -0.5362247121 1.7818705446 0 -4.0848105553 2.4082609313 -0.5135622003 0 3.7976210911 -0.1764295766 0.4975167455 0 -1.6152290518 -2.6173852476 1.866082604 0 -0.5832276683 -1.2839947209 2.3482548854 0 -3.5291133904 -1.2230576482 1.3657981588 0 -2.5546128296 0.1155389122 2.0035862641 0 0.123913451 -3.258426528 0.1104604543 0 0.5631783038 -3.4810839917 1.7904220141 0 -1.1506731189 -0.1905036935 -2.179466761 0 -0.0321039075 0.7619748315 1.8585849005 0 1.5359550647 -1.9065831191 -1.3171871699 0 1.9974637632 -1.6620951292 2.9387899951 0 0.2230066713 1.6772891256 -2.9937995409 0 1.3614005947 2.5993809132 1.0402924846 0 -4.5653967234 -0.6332996821 -1.2031320314 0 1.5120460498 3.0740340167 -1.3922378116 0 3.4662131404 -0.3917576261 -1.6138788429 0 3.932359362 -0.1483113602 2.6422566585 0 -4.1759782048 3.476494557 -0.6358134488 Gaussian 16 12-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 117 C1[X(C19H17ClN4)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=checkguess=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 0 319.6830999999998 AuxInfo=1/0/N:20,17,18,13,14,15,16,21,22,10,7,12,8,23,19,11,9,24,6,1,5,4,3,2/E:(2,3)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,12.2,14.3,15.3,16.3,17.3,18.3,21.1,22.2,23.2/rA:41ClNN2N2N1CCCC3CC3C2C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;s2;;;;s6;s2s6;s6;s7;s10;s5s6;s9;s9;s11;s11;s13;s14;s2s4;s17s18;s15;s16;s3s4;s1s21s22;s7;s7;s8;s8;s10;s10;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/fenbuconazole/gas/CONF2/opt-b #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 fenbuconazole CONF2 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 14 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 14.0030740 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 2 2 2 2 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 1 1 1 14.2400000 4.5500000 4.5500000 4.5500000 4.5500000 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 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 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 662 A 638 A 638 1017 662 88 88 2146.0571707799 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 -0.0545436395 0.000000 8.689737 0.000000 8.577188 1.360560 0.000000 9.968746 2.193528 2.263745 0.000000 8.485527 3.795353 5.003851 4.725156 0.000000 6.975415 2.526359 3.419128 4.385485 2.623325 0.000000 6.756038 3.839753 4.669615 5.860855 3.410672 1.561865 0.000000 8.140436 1.448590 2.438871 3.608213 3.423419 1.568506 2.518275 0.000000 5.890231 2.911571 3.267888 4.403934 3.501209 1.535439 2.606778 2.535024 0.000000 6.059262 5.150076 5.962004 6.997322 3.712130 2.643100 1.544271 3.955564 3.245075 0.000000 4.551282 5.729077 6.269923 7.473924 4.657829 3.314831 2.566351 4.705363 3.199545 1.512334 0.000000 7.731706 3.031549 4.176725 4.383913 1.153032 1.470967 2.438950 2.450240 2.475858 3.019842 3.904253 0.000000 6.031516 3.409052 3.689674 4.215629 3.498089 2.557049 3.781007 3.504482 1.394924 4.125580 3.940833 2.808881 0.000000 5.147769 3.619355 3.540671 5.189394 4.847525 2.536676 3.076006 3.185388 1.397470 3.691829 3.254789 3.769712 2.403935 0.000000 4.019156 6.018911 6.494224 7.449625 4.667764 3.759485 3.531194 5.265125 3.231007 2.536901 1.396070 4.074606 3.462350 3.448216 0.000000 4.018462 6.389107 6.731076 8.249546 5.919361 4.169573 3.248245 5.317718 3.932230 2.523998 1.398158 5.053811 4.835973 3.472206 2.398995 0.000000 5.463829 4.414452 4.313083 4.887807 4.827815 3.839435 4.931187 4.675712 2.422375 5.136608 4.582628 4.198218 1.394315 2.778102 3.852197 5.267005 0.000000 4.459485 4.583218 4.194369 5.756466 5.876061 3.822370 4.406670 4.441976 2.421365 4.784859 3.995662 4.889887 2.779010 1.389318 3.827565 4.038225 2.405769 0.000000 9.537121 1.355259 2.216860 1.319192 3.603065 3.322049 4.738296 2.540702 3.709432 5.897688 6.549947 3.228648 3.760418 4.663385 6.658553 7.389009 4.755605 5.502319 0.000000 4.640019 4.927166 4.549273 5.629341 5.873366 4.338869 5.187841 5.066553 2.803678 5.415220 4.604232 5.067607 2.414758 2.413304 4.016998 4.917155 1.390942 1.394282 5.548706 0.000000 2.727295 6.854560 7.097858 8.154919 5.896816 4.828217 4.698024 6.237954 3.946768 3.819070 2.429402 5.277041 3.999704 3.799724 1.391822 2.781762 3.896304 3.678771 7.531057 3.727813 0.000000 2.728019 7.188092 7.320972 8.901522 6.940346 5.159618 4.489331 6.285833 4.547344 3.811462 2.432157 6.074007 5.247461 3.826082 2.784576 1.391656 5.314119 3.904157 8.192894 4.695940 2.421473 0.000000 9.374887 2.091558 1.320992 1.363076 5.393818 4.355143 5.754834 3.479146 4.113169 6.964667 7.263012 4.783446 4.118961 4.545945 7.304210 7.834883 4.584734 4.981442 2.097473 5.005906 7.862667 8.366156 0.000000 1.760213 7.377172 7.469991 8.835266 6.911146 5.417663 5.072236 6.674252 4.529922 4.301034 2.791549 6.147529 4.859193 3.955250 2.397803 2.396746 4.663307 3.699518 8.234968 4.090019 1.389986 1.391211 8.356772 0.000000 7.797460 4.033599 5.029463 6.057689 3.432254 2.156052 1.094683 2.636950 3.510608 2.156257 3.471053 2.657384 4.619073 4.066042 4.475690 4.117372 5.862063 5.430558 4.831108 6.204079 5.709801 5.432470 6.084296 6.093454 0.000000 6.477860 4.053321 4.622680 6.180089 4.427486 2.166393 1.092780 2.726713 2.833882 2.169347 2.738942 3.378130 4.177345 2.786280 3.855262 2.928798 5.146954 4.092248 5.164936 5.116504 4.804680 4.094221 5.838136 4.883008 1.753695 0.000000 9.000475 2.082604 3.232362 4.014697 3.378139 2.194066 2.758754 1.091939 3.479936 4.189142 5.215357 2.631014 4.387931 4.197761 5.885499 5.873812 5.644574 5.497548 2.811698 6.118773 6.984935 6.977559 4.126411 7.451871 2.420204 3.105991 0.000000 7.927140 2.044013 2.478386 4.202078 4.430407 2.175435 2.690250 1.088948 2.818748 4.187205 4.772531 3.383152 3.990905 2.962053 5.480749 5.097197 4.977011 4.198071 3.343395 5.069989 6.325452 5.996347 3.732843 6.534858 2.893134 2.442100 1.774335 0.000000 6.545221 5.283768 6.232293 6.919283 3.022415 2.825736 2.170059 4.228101 3.494351 1.093402 2.151655 2.634919 4.066421 4.263447 2.651457 3.409047 5.155014 5.302103 5.794068 5.688662 4.038639 4.577159 7.086191 4.810888 2.552990 3.066945 4.366143 4.705536 0.000000 6.540331 5.947747 6.786439 7.884991 4.475444 3.527992 2.138247 4.636594 4.267361 1.094600 2.138497 3.882098 5.213333 4.573270 3.320326 2.731026 6.209503 5.671923 6.730683 6.407248 4.508777 4.090433 7.848346 4.801454 2.344602 2.540202 4.693169 4.764636 1.750657 0.000000 6.851269 3.497053 4.038992 4.001899 2.792212 2.766281 4.072524 3.696553 2.153836 4.358694 4.426545 2.428548 1.083329 3.390996 3.891442 5.512576 2.143323 3.862263 3.479366 3.390264 4.595668 6.044775 4.258871 5.626016 4.740468 4.692332 4.392272 4.422967 4.034909 5.433712 0.000000 5.408759 3.859339 3.794897 5.692351 5.287755 2.736923 2.823876 3.142835 2.159028 3.600662 3.284040 4.150351 3.392111 1.082696 3.869698 3.185336 3.860630 2.133752 5.072225 3.386001 4.280858 3.672171 4.976120 4.171319 3.731811 2.174743 4.051206 2.608056 4.386788 4.285155 4.297008 0.000000 4.866135 5.855363 6.461419 7.089330 3.962422 3.663566 3.698709 5.220511 3.249741 2.743346 2.149897 3.587546 3.164971 3.861674 1.083960 3.385034 3.696729 4.298119 6.286724 4.226433 2.139416 3.868394 7.131388 3.376643 4.535241 4.279488 5.772394 5.643515 2.420645 3.616985 3.302488 4.434584 0.000000 4.867472 6.533602 6.897935 8.541182 6.280895 4.397039 3.210700 5.328751 4.433720 2.722826 2.153561 5.378443 5.524229 3.916671 3.386522 1.085780 6.072095 4.645839 7.620065 5.691377 3.867509 2.139860 8.092008 3.377511 3.887780 2.674259 5.762822 4.975539 3.749388 2.585468 6.186509 3.340973 4.287902 0.000000 5.956550 5.105692 5.007208 5.173578 5.227393 4.702350 5.852953 5.525892 3.399228 5.960806 5.410053 4.802752 2.146499 3.861989 4.495390 6.172015 1.083949 3.391967 5.197934 2.151794 4.441115 6.149243 5.024260 5.329487 6.741053 6.160906 6.441778 5.926896 5.831598 7.043671 2.457394 4.944544 4.168813 7.035325 0.000000 4.194281 5.371200 4.832502 6.584899 6.881407 4.679241 5.051396 5.175486 3.398903 5.409899 4.497571 5.856091 3.862523 2.143026 4.449954 4.199008 3.390281 1.083565 6.384865 2.153174 4.086454 3.813967 5.666763 3.732948 6.062747 4.535742 6.215635 4.736303 6.058867 6.178342 4.945788 2.446941 5.088408 4.708402 4.291864 0.000000 9.944820 2.143638 3.244487 2.146906 2.974425 3.445958 4.760360 2.881350 4.109233 5.803849 6.627218 2.915265 4.104033 5.243019 6.731697 7.600237 5.238600 6.174609 1.079085 6.179488 7.732512 8.508842 3.155560 8.546403 4.696825 5.375260 2.832155 3.858374 5.532309 6.585858 3.579055 5.645498 6.233839 7.828479 5.610180 7.114078 0.000000 4.530572 5.888282 5.373436 6.385699 6.877661 5.422592 6.234482 6.112369 3.887383 6.381660 5.436633 6.119565 3.398793 3.395273 4.738922 5.626478 2.152559 2.153249 6.455679 1.083778 4.165925 5.165382 5.704396 4.400061 7.265587 6.113417 7.175308 6.068116 6.654703 7.348418 4.285675 4.277600 4.981240 6.436175 2.485461 2.482981 7.121474 0.000000 2.862603 7.314591 7.512667 8.366638 6.235375 5.457265 5.544016 6.869515 4.445787 4.689459 3.410791 5.738881 4.155474 4.414280 2.156041 3.863797 3.797371 4.068930 7.852996 3.741718 1.082087 3.399426 8.128269 2.148066 6.548634 5.735204 7.648799 7.042283 4.728859 5.436986 4.655753 5.062344 2.471562 4.949523 4.086994 4.519045 8.045733 3.984922 0.000000 2.862909 7.872380 7.895659 9.631994 7.917084 5.978353 5.234724 6.956422 5.376175 4.680170 3.415351 7.002943 6.148946 4.466516 3.867096 2.158461 6.136870 4.438163 8.960333 5.344231 3.399352 1.082559 8.987228 2.149152 6.121643 4.665484 7.645783 6.523674 5.530558 4.815016 7.006284 4.142431 4.950906 2.474529 6.989796 4.089735 9.339919 5.702506 4.288502 0.000000 9.698580 3.132003 2.099171 2.153746 6.407391 5.303217 6.677977 4.463251 4.864153 7.862193 8.028620 5.794355 4.773259 5.100579 8.005083 8.510689 4.960615 5.287836 3.138067 5.226730 8.418798 8.909215 1.079064 8.843448 7.067693 6.668941 5.148852 4.570698 8.025282 8.760943 4.998221 5.546380 7.878323 8.791717 5.305498 5.851600 4.167002 5.752197 8.621083 9.467317 0.000000 C19H17ClN4 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 0 319.6830999999998 AuxInfo=1/0/N:20,17,18,13,14,15,16,21,22,10,7,12,8,23,19,11,9,24,6,1,5,4,3,2/E:(2,3)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,12.2,14.3,15.3,16.3,17.3,18.3,21.1,22.2,23.2/rA:41ClNN2N2N1CCCC3CC3C2C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;s2;;;;s6;s2s6;s6;s7;s10;s5s6;s9;s9;s11;s11;s13;s14;s2s4;s17s18;s15;s16;s3s4;s1s21s22;s7;s7;s8;s8;s10;s10;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4447190 0.1523828 0.1318041 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= 638 RedAO= T EigKep= 1.08D-06 NBF= 638 NBsUse= 635 1.00D-06 EigRej= 8.86D-07 NBFU= 635 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= 657 657 657 657 657 MxSgAt= 41 MxSgA2= 41. 1 Closed 1 1 1 -1413.75253803870 -1413.75253804 1 1.408542616164e+03 -7.599955131471e+03 2.631657350128e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830260911 LenY= 2829822005 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 4.8633 254.94 0.0034 0.000 85 90 0.14544 87 89 0.12177 87 90 0.13603 88 89 0.57148 88 90 -0.28122 -1413.57381652 2 Singlet-A 5.1264 241.85 0.0193 0.000 85 89 0.11213 86 89 0.12744 86 90 -0.16425 87 89 -0.21463 87 91 0.19661 87 92 -0.11803 88 89 0.14312 88 90 0.34362 88 91 0.18729 88 92 0.32501 88 93 -0.18694 3 Singlet-A 5.1607 240.25 0.0033 0.000 88 89 -0.31874 88 90 -0.36566 88 91 0.44301 88 92 0.11253 4 Singlet-A 5.3654 231.08 0.0711 0.000 85 89 -0.17454 86 89 -0.17315 87 91 -0.13565 88 90 0.29784 88 91 0.43950 88 92 -0.32285 5 Singlet-A 5.4817 226.18 0.0122 0.000 86 89 -0.14448 86 90 0.14131 86 92 0.13266 86 93 -0.12805 87 89 0.30308 87 90 0.23594 88 90 0.17052 88 92 0.42400 88 93 0.13119 6 Singlet-A 5.5401 223.79 0.0017 0.000 86 89 0.11428 86 92 0.10272 87 89 0.42141 87 91 0.18390 88 90 0.11065 88 92 -0.17480 88 93 -0.39734 88 94 0.16654 7 Singlet-A 5.5828 222.08 0.0038 0.000 86 89 0.30132 86 90 -0.23376 87 89 0.26401 87 90 -0.20104 87 91 0.14484 88 93 0.43463 8 Singlet-A 5.6717 218.60 0.0240 0.000 85 89 0.11573 86 89 0.26185 86 90 -0.17122 86 91 0.18776 87 89 -0.13777 87 90 0.50715 87 92 -0.10734 9 Singlet-A 5.7229 216.65 0.0210 0.000 85 90 0.12312 86 89 0.20855 86 90 0.23431 87 90 -0.12356 87 91 -0.21384 88 92 0.10868 88 94 0.47960 88 95 0.11922 88 98 0.10988 10 Singlet-A 5.7472 215.73 0.0015 0.000 85 89 -0.23987 85 90 -0.20043 86 89 -0.14683 86 91 -0.15992 86 92 -0.20741 87 90 0.20708 87 91 0.35350 88 93 0.13301 88 94 0.26444 PT31935.500S Tue Jul 13 00:04:44 2021 GINC-CIBELES19 PAULAPLA 13-Jul-2021 0 Electronic spectrum fenbuconazole CONF2 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1413.752538 RMSD=6.683e-09 PG=C01 [X(C19H17Cl1N4)] 0 5.1401031034 0.9423660511 0.2868314992 0 -3.5405176434 0.5450150044 0.2653307375 0 -3.3835962264 1.8803415278 0.4736658077 0 -4.6779463641 1.5059280192 -1.3454037655 0 -2.3600688464 -2.6093153732 -1.4843678813 0 -1.5553414435 -1.0086335007 0.4318959246 0 -0.8614590333 -1.9133542587 1.4993367958 0 -2.8452728053 -0.4149535453 1.0981022506 0 -0.6815338007 0.1351400393 -0.1027206608 0 0.3694011091 -2.7187787436 1.0291796107 0 1.6162191008 -1.8860909532 0.8311131415 0 -1.9912253684 -1.8901352972 -0.6620441785 0 -0.6069939925 0.4177360451 -1.4666842784 0 0.0173081043 0.9486407966 0.7932467729 0 2.0621878596 -1.536503294 -0.4447831427 0 2.3145119895 -1.3906271777 1.9364408244 0 0.1746871034 1.4753249922 -1.9299284986 0 0.8068300261 1.9948251459 0.3324239761 0 -4.3125995414 0.3474747529 -0.8308414887 0 0.8918268735 2.2608399368 -1.0336043027 0 3.1450759777 -0.6802019779 -0.6216168141 0 3.4020824578 -0.5362247121 1.7818705446 0 -4.0848105553 2.4082609313 -0.5135622003 0 3.7976210911 -0.1764295766 0.4975167455 0 -1.6152290518 -2.6173852476 1.866082604 0 -0.5832276683 -1.2839947209 2.3482548854 0 -3.5291133904 -1.2230576482 1.3657981588 0 -2.5546128296 0.1155389122 2.0035862641 0 0.123913451 -3.258426528 0.1104604543 0 0.5631783038 -3.4810839917 1.7904220141 0 -1.1506731189 -0.1905036935 -2.179466761 0 -0.0321039075 0.7619748315 1.8585849005 0 1.5359550647 -1.9065831191 -1.3171871699 0 1.9974637632 -1.6620951292 2.9387899951 0 0.2230066713 1.6772891256 -2.9937995409 0 1.3614005947 2.5993809132 1.0402924846 0 -4.5653967234 -0.6332996821 -1.2031320314 0 1.5120460498 3.0740340167 -1.3922378116 0 3.4662131404 -0.3917576261 -1.6138788429 0 3.932359362 -0.1483113602 2.6422566585 0 -4.1759782048 3.476494557 -0.6358134488 Gaussian 16 13-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 117 C1[X(C19H17ClN4)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=checkguess=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 0 319.6830999999998 AuxInfo=1/0/N:20,17,18,13,14,15,16,21,22,10,7,12,8,23,19,11,9,24,6,1,5,4,3,2/E:(2,3)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,12.2,14.3,15.3,16.3,17.3,18.3,21.1,22.2,23.2/rA:41ClNN2N2N1CCCC3CC3C2C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;s2;;;;s6;s2s6;s6;s7;s10;s5s6;s9;s9;s11;s11;s13;s14;s2s4;s17s18;s15;s16;s3s4;s1s21s22;s7;s7;s8;s8;s10;s10;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/fenbuconazole/gas/CONF2/opt-b #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 fenbuconazole CONF2 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 14 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 14.0030740 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 2 2 2 2 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 1 1 1 14.2400000 4.5500000 4.5500000 4.5500000 4.5500000 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 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 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 1241 A 1097 A 1097 1596 1241 88 88 2146.0571707799 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 -0.0545436395 0.000000 8.689737 0.000000 8.577188 1.360560 0.000000 9.968746 2.193528 2.263745 0.000000 8.485527 3.795353 5.003851 4.725156 0.000000 6.975415 2.526359 3.419128 4.385485 2.623325 0.000000 6.756038 3.839753 4.669615 5.860855 3.410672 1.561865 0.000000 8.140436 1.448590 2.438871 3.608213 3.423419 1.568506 2.518275 0.000000 5.890231 2.911571 3.267888 4.403934 3.501209 1.535439 2.606778 2.535024 0.000000 6.059262 5.150076 5.962004 6.997322 3.712130 2.643100 1.544271 3.955564 3.245075 0.000000 4.551282 5.729077 6.269923 7.473924 4.657829 3.314831 2.566351 4.705363 3.199545 1.512334 0.000000 7.731706 3.031549 4.176725 4.383913 1.153032 1.470967 2.438950 2.450240 2.475858 3.019842 3.904253 0.000000 6.031516 3.409052 3.689674 4.215629 3.498089 2.557049 3.781007 3.504482 1.394924 4.125580 3.940833 2.808881 0.000000 5.147769 3.619355 3.540671 5.189394 4.847525 2.536676 3.076006 3.185388 1.397470 3.691829 3.254789 3.769712 2.403935 0.000000 4.019156 6.018911 6.494224 7.449625 4.667764 3.759485 3.531194 5.265125 3.231007 2.536901 1.396070 4.074606 3.462350 3.448216 0.000000 4.018462 6.389107 6.731076 8.249546 5.919361 4.169573 3.248245 5.317718 3.932230 2.523998 1.398158 5.053811 4.835973 3.472206 2.398995 0.000000 5.463829 4.414452 4.313083 4.887807 4.827815 3.839435 4.931187 4.675712 2.422375 5.136608 4.582628 4.198218 1.394315 2.778102 3.852197 5.267005 0.000000 4.459485 4.583218 4.194369 5.756466 5.876061 3.822370 4.406670 4.441976 2.421365 4.784859 3.995662 4.889887 2.779010 1.389318 3.827565 4.038225 2.405769 0.000000 9.537121 1.355259 2.216860 1.319192 3.603065 3.322049 4.738296 2.540702 3.709432 5.897688 6.549947 3.228648 3.760418 4.663385 6.658553 7.389009 4.755605 5.502319 0.000000 4.640019 4.927166 4.549273 5.629341 5.873366 4.338869 5.187841 5.066553 2.803678 5.415220 4.604232 5.067607 2.414758 2.413304 4.016998 4.917155 1.390942 1.394282 5.548706 0.000000 2.727295 6.854560 7.097858 8.154919 5.896816 4.828217 4.698024 6.237954 3.946768 3.819070 2.429402 5.277041 3.999704 3.799724 1.391822 2.781762 3.896304 3.678771 7.531057 3.727813 0.000000 2.728019 7.188092 7.320972 8.901522 6.940346 5.159618 4.489331 6.285833 4.547344 3.811462 2.432157 6.074007 5.247461 3.826082 2.784576 1.391656 5.314119 3.904157 8.192894 4.695940 2.421473 0.000000 9.374887 2.091558 1.320992 1.363076 5.393818 4.355143 5.754834 3.479146 4.113169 6.964667 7.263012 4.783446 4.118961 4.545945 7.304210 7.834883 4.584734 4.981442 2.097473 5.005906 7.862667 8.366156 0.000000 1.760213 7.377172 7.469991 8.835266 6.911146 5.417663 5.072236 6.674252 4.529922 4.301034 2.791549 6.147529 4.859193 3.955250 2.397803 2.396746 4.663307 3.699518 8.234968 4.090019 1.389986 1.391211 8.356772 0.000000 7.797460 4.033599 5.029463 6.057689 3.432254 2.156052 1.094683 2.636950 3.510608 2.156257 3.471053 2.657384 4.619073 4.066042 4.475690 4.117372 5.862063 5.430558 4.831108 6.204079 5.709801 5.432470 6.084296 6.093454 0.000000 6.477860 4.053321 4.622680 6.180089 4.427486 2.166393 1.092780 2.726713 2.833882 2.169347 2.738942 3.378130 4.177345 2.786280 3.855262 2.928798 5.146954 4.092248 5.164936 5.116504 4.804680 4.094221 5.838136 4.883008 1.753695 0.000000 9.000475 2.082604 3.232362 4.014697 3.378139 2.194066 2.758754 1.091939 3.479936 4.189142 5.215357 2.631014 4.387931 4.197761 5.885499 5.873812 5.644574 5.497548 2.811698 6.118773 6.984935 6.977559 4.126411 7.451871 2.420204 3.105991 0.000000 7.927140 2.044013 2.478386 4.202078 4.430407 2.175435 2.690250 1.088948 2.818748 4.187205 4.772531 3.383152 3.990905 2.962053 5.480749 5.097197 4.977011 4.198071 3.343395 5.069989 6.325452 5.996347 3.732843 6.534858 2.893134 2.442100 1.774335 0.000000 6.545221 5.283768 6.232293 6.919283 3.022415 2.825736 2.170059 4.228101 3.494351 1.093402 2.151655 2.634919 4.066421 4.263447 2.651457 3.409047 5.155014 5.302103 5.794068 5.688662 4.038639 4.577159 7.086191 4.810888 2.552990 3.066945 4.366143 4.705536 0.000000 6.540331 5.947747 6.786439 7.884991 4.475444 3.527992 2.138247 4.636594 4.267361 1.094600 2.138497 3.882098 5.213333 4.573270 3.320326 2.731026 6.209503 5.671923 6.730683 6.407248 4.508777 4.090433 7.848346 4.801454 2.344602 2.540202 4.693169 4.764636 1.750657 0.000000 6.851269 3.497053 4.038992 4.001899 2.792212 2.766281 4.072524 3.696553 2.153836 4.358694 4.426545 2.428548 1.083329 3.390996 3.891442 5.512576 2.143323 3.862263 3.479366 3.390264 4.595668 6.044775 4.258871 5.626016 4.740468 4.692332 4.392272 4.422967 4.034909 5.433712 0.000000 5.408759 3.859339 3.794897 5.692351 5.287755 2.736923 2.823876 3.142835 2.159028 3.600662 3.284040 4.150351 3.392111 1.082696 3.869698 3.185336 3.860630 2.133752 5.072225 3.386001 4.280858 3.672171 4.976120 4.171319 3.731811 2.174743 4.051206 2.608056 4.386788 4.285155 4.297008 0.000000 4.866135 5.855363 6.461419 7.089330 3.962422 3.663566 3.698709 5.220511 3.249741 2.743346 2.149897 3.587546 3.164971 3.861674 1.083960 3.385034 3.696729 4.298119 6.286724 4.226433 2.139416 3.868394 7.131388 3.376643 4.535241 4.279488 5.772394 5.643515 2.420645 3.616985 3.302488 4.434584 0.000000 4.867472 6.533602 6.897935 8.541182 6.280895 4.397039 3.210700 5.328751 4.433720 2.722826 2.153561 5.378443 5.524229 3.916671 3.386522 1.085780 6.072095 4.645839 7.620065 5.691377 3.867509 2.139860 8.092008 3.377511 3.887780 2.674259 5.762822 4.975539 3.749388 2.585468 6.186509 3.340973 4.287902 0.000000 5.956550 5.105692 5.007208 5.173578 5.227393 4.702350 5.852953 5.525892 3.399228 5.960806 5.410053 4.802752 2.146499 3.861989 4.495390 6.172015 1.083949 3.391967 5.197934 2.151794 4.441115 6.149243 5.024260 5.329487 6.741053 6.160906 6.441778 5.926896 5.831598 7.043671 2.457394 4.944544 4.168813 7.035325 0.000000 4.194281 5.371200 4.832502 6.584899 6.881407 4.679241 5.051396 5.175486 3.398903 5.409899 4.497571 5.856091 3.862523 2.143026 4.449954 4.199008 3.390281 1.083565 6.384865 2.153174 4.086454 3.813967 5.666763 3.732948 6.062747 4.535742 6.215635 4.736303 6.058867 6.178342 4.945788 2.446941 5.088408 4.708402 4.291864 0.000000 9.944820 2.143638 3.244487 2.146906 2.974425 3.445958 4.760360 2.881350 4.109233 5.803849 6.627218 2.915265 4.104033 5.243019 6.731697 7.600237 5.238600 6.174609 1.079085 6.179488 7.732512 8.508842 3.155560 8.546403 4.696825 5.375260 2.832155 3.858374 5.532309 6.585858 3.579055 5.645498 6.233839 7.828479 5.610180 7.114078 0.000000 4.530572 5.888282 5.373436 6.385699 6.877661 5.422592 6.234482 6.112369 3.887383 6.381660 5.436633 6.119565 3.398793 3.395273 4.738922 5.626478 2.152559 2.153249 6.455679 1.083778 4.165925 5.165382 5.704396 4.400061 7.265587 6.113417 7.175308 6.068116 6.654703 7.348418 4.285675 4.277600 4.981240 6.436175 2.485461 2.482981 7.121474 0.000000 2.862603 7.314591 7.512667 8.366638 6.235375 5.457265 5.544016 6.869515 4.445787 4.689459 3.410791 5.738881 4.155474 4.414280 2.156041 3.863797 3.797371 4.068930 7.852996 3.741718 1.082087 3.399426 8.128269 2.148066 6.548634 5.735204 7.648799 7.042283 4.728859 5.436986 4.655753 5.062344 2.471562 4.949523 4.086994 4.519045 8.045733 3.984922 0.000000 2.862909 7.872380 7.895659 9.631994 7.917084 5.978353 5.234724 6.956422 5.376175 4.680170 3.415351 7.002943 6.148946 4.466516 3.867096 2.158461 6.136870 4.438163 8.960333 5.344231 3.399352 1.082559 8.987228 2.149152 6.121643 4.665484 7.645783 6.523674 5.530558 4.815016 7.006284 4.142431 4.950906 2.474529 6.989796 4.089735 9.339919 5.702506 4.288502 0.000000 9.698580 3.132003 2.099171 2.153746 6.407391 5.303217 6.677977 4.463251 4.864153 7.862193 8.028620 5.794355 4.773259 5.100579 8.005083 8.510689 4.960615 5.287836 3.138067 5.226730 8.418798 8.909215 1.079064 8.843448 7.067693 6.668941 5.148852 4.570698 8.025282 8.760943 4.998221 5.546380 7.878323 8.791717 5.305498 5.851600 4.167002 5.752197 8.621083 9.467317 0.000000 C19H17ClN4 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 0 319.6830999999998 AuxInfo=1/0/N:20,17,18,13,14,15,16,21,22,10,7,12,8,23,19,11,9,24,6,1,5,4,3,2/E:(2,3)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,12.2,14.3,15.3,16.3,17.3,18.3,21.1,22.2,23.2/rA:41ClNN2N2N1CCCC3CC3C2C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;s2;;;;s6;s2s6;s6;s7;s10;s5s6;s9;s9;s11;s11;s13;s14;s2s4;s17s18;s15;s16;s3s4;s1s21s22;s7;s7;s8;s8;s10;s10;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4447190 0.1523828 0.1318041 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= 1097 RedAO= T EigKep= 1.01D-06 NBF= 1097 NBsUse= 1092 1.00D-06 EigRej= 8.20D-07 NBFU= 1092 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= 1227 1227 1227 1227 1227 MxSgAt= 41 MxSgA2= 41. 1 Closed 1 1 1 -1413.75724024762 -1413.82286109555 -0.065620847926 -1413.82275965199 0.000101443553 -1413.82313448622 -0.000374834232 -1413.82319841491 -0.000063928687 -1413.82320697402 -0.000008559114 -1413.82320868005 -0.000001706028 -1413.82320880289 -0.000000122840 -1413.82320881713 -0.000000014234 -1413.82320881846 -0.000000001329 -1413.82320881871 -0.000000000252 -1413.82320881885 -0.000000000137 -1413.82320882 12 1.408226553528e+03 -7.600027942907e+03 2.631975553420e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2828043951 LenY= 2826502629 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. PT28258S Tue Jul 13 00:34:11 2021 GINC-CIBELES19 PAULAPLA 13-Jul-2021 0 Single Point fenbuconazole CONF2 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1413.8232088 RMSD=5.183e-09 Dipole=0.4916275,-0.4158459,1.461919 Quadrupole=-11.7508961,2.8847337,8.8661623,3.9985044,-8.7831487,-6.4354831 PG=C01 [X(C19H17Cl1N4)] 0 5.1401031034 0.9423660511 0.2868314992 0 -3.5405176434 0.5450150044 0.2653307375 0 -3.3835962264 1.8803415278 0.4736658077 0 -4.6779463641 1.5059280192 -1.3454037655 0 -2.3600688464 -2.6093153732 -1.4843678813 0 -1.5553414435 -1.0086335007 0.4318959246 0 -0.8614590333 -1.9133542587 1.4993367958 0 -2.8452728053 -0.4149535453 1.0981022506 0 -0.6815338007 0.1351400393 -0.1027206608 0 0.3694011091 -2.7187787436 1.0291796107 0 1.6162191008 -1.8860909532 0.8311131415 0 -1.9912253684 -1.8901352972 -0.6620441785 0 -0.6069939925 0.4177360451 -1.4666842784 0 0.0173081043 0.9486407966 0.7932467729 0 2.0621878596 -1.536503294 -0.4447831427 0 2.3145119895 -1.3906271777 1.9364408244 0 0.1746871034 1.4753249922 -1.9299284986 0 0.8068300261 1.9948251459 0.3324239761 0 -4.3125995414 0.3474747529 -0.8308414887 0 0.8918268735 2.2608399368 -1.0336043027 0 3.1450759777 -0.6802019779 -0.6216168141 0 3.4020824578 -0.5362247121 1.7818705446 0 -4.0848105553 2.4082609313 -0.5135622003 0 3.7976210911 -0.1764295766 0.4975167455 0 -1.6152290518 -2.6173852476 1.866082604 0 -0.5832276683 -1.2839947209 2.3482548854 0 -3.5291133904 -1.2230576482 1.3657981588 0 -2.5546128296 0.1155389122 2.0035862641 0 0.123913451 -3.258426528 0.1104604543 0 0.5631783038 -3.4810839917 1.7904220141 0 -1.1506731189 -0.1905036935 -2.179466761 0 -0.0321039075 0.7619748315 1.8585849005 0 1.5359550647 -1.9065831191 -1.3171871699 0 1.9974637632 -1.6620951292 2.9387899951 0 0.2230066713 1.6772891256 -2.9937995409 0 1.3614005947 2.5993809132 1.0402924846 0 -4.5653967234 -0.6332996821 -1.2031320314 0 1.5120460498 3.0740340167 -1.3922378116 0 3.4662131404 -0.3917576261 -1.6138788429 0 3.932359362 -0.1483113602 2.6422566585 0 -4.1759782048 3.476494557 -0.6358134488