Gaussian 16 GINC-CIBELES20 PAULAPLA Optimization difenoconazole_RR CONF49 gas EM64L-G16RevC.01 5-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 44 44 105 105 712 (5D, 7F) 6-311+G(d,p) 126 126 C1[X(C19H17Cl2N3O3)] C1[X(C19H17Cl2N3O3)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 389.12759999999975 0 1 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/paulapla/opt-b3lyp-pople.com-2508551/Gau-17799.inp" -scrdir="/temporal/paulapla/opt-b3lyp-pople.com-2508551/" chk=/home/paulapla/almacen/ADAMA/censo_results/difenoconazole_RR/gas/CONF49/opt #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 difenoconazole_RR CONF49 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 42 43 44 35 35 16 16 16 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 34.9688527 15.9949146 15.9949146 15.9949146 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 3 0 0 0 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 -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 R44 R45 R46 R47 1 2 3 3 4 4 5 5 6 6 6 7 8 8 9 9 10 10 10 11 11 12 12 13 13 14 14 14 15 16 16 17 17 18 18 20 21 22 22 23 23 24 24 25 25 26 26 15 27 9 10 9 12 19 22 7 11 20 21 20 21 11 13 12 14 28 29 30 31 32 15 16 33 34 35 17 18 36 19 37 19 38 39 40 23 24 25 41 26 42 27 43 27 44 1.7338 1.7268 1.3954 1.4181 1.3942 1.4093 1.3568 1.3661 1.3353 1.4347 1.3418 1.3107 1.307 1.3499 1.5353 1.5279 1.5399 1.515 1.0943 1.0896 1.089 1.0902 1.0976 1.391 1.3937 1.0907 1.0892 1.0914 1.3873 1.3805 1.081 1.3872 1.0814 1.3877 1.0815 1.0797 1.0788 1.3852 1.3887 1.3862 1.0818 1.3842 1.0824 1.3851 1.081 1.387 1.081 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 9 9 19 7 7 11 6 20 3 3 3 4 4 11 3 3 3 12 12 14 6 6 6 9 9 29 4 4 4 10 10 31 9 9 15 10 10 10 33 33 34 1 1 13 13 13 18 15 15 19 16 16 19 5 5 17 6 6 8 7 7 8 5 5 23 22 22 25 22 22 26 23 23 27 24 24 27 2 2 25 3 4 5 6 6 6 7 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 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 25 25 25 26 26 26 27 27 27 10 12 22 11 20 20 21 21 4 11 13 11 13 13 12 14 28 14 28 28 9 29 30 29 30 30 10 31 32 31 32 32 15 16 16 33 34 35 34 35 35 13 17 17 18 36 36 19 37 37 19 38 38 17 18 18 8 39 39 8 40 40 23 24 24 25 41 41 26 42 42 27 43 43 27 44 44 25 26 26 108.5386 106.2305 120.2675 121.8385 109.6548 128.2201 102.5796 102.4947 105.4183 107.3966 112.5684 109.4341 110.5774 111.221 103.2329 112.0048 107.1748 113.6503 110.9681 109.51 112.8642 109.4348 108.026 109.3223 108.6478 108.4438 104.1008 108.5062 111.5094 113.3007 111.1127 108.2846 123.8549 119.3397 116.7024 111.4027 111.1088 110.1831 108.2168 108.049 107.7493 121.6922 116.0477 122.2236 122.3295 118.7942 118.8759 119.3279 119.4281 121.2381 119.4642 120.6667 119.8646 123.2049 116.8534 119.899 110.2691 122.9533 126.7773 114.9942 121.757 123.246 118.208 121.3515 120.3798 119.8898 119.7585 120.3499 119.7677 120.4111 119.8208 119.6398 120.1021 120.2567 119.7279 120.0793 120.1916 119.774 119.6351 120.5906 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 10 10 10 9 9 9 12 12 12 9 9 9 22 22 19 19 11 20 7 7 7 20 20 20 7 7 11 11 6 6 21 21 20 20 3 3 3 4 4 4 13 13 13 3 3 4 4 11 11 3 3 3 14 14 14 28 28 28 3 3 3 12 12 12 28 28 28 9 9 16 16 9 9 15 15 1 1 13 13 13 13 36 36 15 15 37 37 16 16 38 38 5 5 24 24 5 5 23 23 22 22 41 41 22 22 42 42 23 23 43 43 24 24 44 44 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 7 7 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 13 13 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 22 22 22 22 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 9 9 9 10 10 10 9 9 9 12 12 12 19 19 22 22 7 7 11 11 11 11 11 11 20 20 20 20 21 21 20 20 21 21 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 12 12 12 12 12 12 12 12 12 14 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 19 19 19 19 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 27 27 27 27 4 11 13 12 14 28 3 11 13 10 31 32 17 18 23 24 21 21 9 29 30 9 29 30 8 39 8 39 8 40 6 39 7 40 6 29 30 6 29 30 6 29 30 15 16 15 16 15 16 4 31 32 4 31 32 4 31 32 33 34 35 33 34 35 33 34 35 1 17 1 17 18 36 18 36 19 37 19 37 19 38 19 38 5 18 5 18 5 17 5 17 25 41 25 41 26 42 26 42 27 43 27 43 27 44 27 44 2 26 2 26 2 25 2 25 -30.4861 -147.1077 90.1411 12.5056 -110.1444 129.728 36.6673 151.8932 -85.256 -27.9363 -148.878 91.9442 -21.7571 160.6277 124.0158 -58.8082 175.0381 0.7141 -75.4695 46.5076 164.388 97.7218 -140.3011 -22.4207 -0.9436 179.2412 -174.8041 5.3806 -0.2816 179.1212 0.7077 -179.4859 -0.2615 -179.6544 -165.0403 72.9193 -45.2554 81.0068 -41.0336 -159.2083 -41.4606 -163.5009 78.3244 45.4433 -138.3735 163.0606 -20.7562 -75.1347 101.0485 9.406 127.085 -110.7423 130.9518 -111.3693 10.8035 -105.1115 12.5674 134.7402 61.1961 -59.5497 -178.8945 -55.3241 -176.0699 64.5852 179.9519 59.2061 -60.1387 0.815 178.5309 -175.4607 2.2552 -178.9651 0.7808 -2.5128 177.2331 177.3762 -1.7475 -0.4607 -179.5844 0.9634 -179.8128 -178.7823 0.4415 -178.7432 -1.1975 0.3641 177.9099 178.6532 0.9549 -0.5769 -178.2752 176.9871 -2.5335 -0.2174 -179.738 -177.4568 2.3286 -0.3415 179.4439 0.6887 -179.7444 -179.7935 -0.2267 0.4236 -179.985 -179.3631 0.2284 179.5948 -0.6085 0.0286 179.8254 179.8478 0.0508 0.2568 -179.5402 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 739 A 712 A 1142 739 2791.8097228413 44 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= 712 RedAO= T EigKep= 1.62D-06 NBF= 712 NBsUse= 708 1.00D-06 EigRej= 9.42D-07 NBFU= 708 Berny optimization. local minimum Step number 41 out of a maximum of 252 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00091 0.00104 0.00440 0.00517 0.00711 0.01092 0.01551 0.01703 0.01787 0.02084 0.02218 0.02259 0.02260 0.02267 0.02271 0.02274 0.02277 0.02281 0.02283 0.02285 0.02298 0.02310 0.02359 0.02594 0.02611 0.02720 0.03049 0.03501 0.03891 0.04042 0.04545 0.04867 0.04987 0.05428 0.05501 0.05741 0.05747 0.05784 0.05931 0.06830 0.07844 0.09049 0.09609 0.10831 0.11221 0.12198 0.13220 0.14574 0.14765 0.15230 0.15697 0.15901 0.15939 0.15998 0.16007 0.16021 0.16039 0.16047 0.16106 0.16198 0.16332 0.20277 0.21163 0.21330 0.21899 0.22452 0.22837 0.23220 0.23396 0.23575 0.24366 0.24867 0.24992 0.25558 0.25924 0.27214 0.27636 0.28085 0.28532 0.30913 0.31265 0.31768 0.33386 0.33983 0.34415 0.34637 0.34737 0.34781 0.34897 0.34918 0.35155 0.35280 0.35651 0.35778 0.35827 0.35861 0.35897 0.36029 0.36150 0.36374 0.37224 0.39295 0.40365 0.41109 0.42120 0.42398 0.43525 0.43567 0.44109 0.44682 0.44930 0.46085 0.47038 0.47438 0.48226 0.48649 0.49342 0.49507 0.50754 0.52254 0.54236 0.54695 0.57945 0.59909 0.63786 0.68433 -4.34107363e-09 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 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 A74 A75 A76 A77 A78 A79 A80 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 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 3.33457 3.32809 2.67596 2.72613 2.67159 2.70060 2.60707 2.61911 2.56821 2.74017 2.55622 2.49744 2.49543 2.57893 2.92535 2.90661 2.92112 2.87296 2.06598 2.05708 2.05674 2.05897 2.07277 2.64862 2.64190 2.06486 2.06239 2.06853 2.62588 2.62672 2.04401 2.62957 2.04413 2.62242 2.04552 2.03919 2.03932 2.63572 2.63320 2.63357 2.04623 2.62801 2.04637 2.62714 2.04537 2.63208 2.04535 1.89179 1.84720 2.05788 2.12254 1.90978 2.23483 1.79013 1.79155 1.83592 1.86575 1.97619 1.90195 1.93701 1.94206 1.80356 1.93795 1.85437 1.99258 1.93793 1.92908 1.97895 1.91124 1.88687 1.88711 1.88201 1.91715 1.81980 1.88087 1.92968 1.98421 1.93710 1.90965 2.15862 2.07035 2.04629 1.92682 1.92748 1.92489 1.89441 1.89630 1.89312 2.12902 2.02882 2.12388 2.13109 2.05896 2.09195 2.08117 2.10697 2.09428 2.07676 2.12012 2.08553 2.09478 2.08173 2.10663 1.92672 2.14289 2.21355 2.00648 2.12517 2.15152 2.14654 2.02869 2.10726 2.08323 2.12200 2.07794 2.09094 2.07996 2.11228 2.09024 2.08961 2.10332 2.08444 2.10221 2.09652 2.08808 2.08487 2.11023 -0.52093 -2.54132 1.59706 0.19124 -1.95232 2.23252 0.65143 2.64674 -1.49196 -0.51800 -2.63186 1.56499 1.17947 -1.97301 0.39564 -2.78572 2.97943 0.01488 -1.31338 0.79577 2.88412 1.61569 -2.55834 -0.46999 -0.01405 3.12024 -2.96401 0.17028 -0.01146 3.12437 0.00650 -3.12743 0.00344 -3.13230 -2.75173 1.40875 -0.66327 1.55563 -0.56708 -2.63910 -0.58582 -2.70853 1.50264 0.88264 -2.39785 2.94271 -0.33778 -1.21933 1.78336 0.19874 2.24231 -1.87921 2.30556 -1.93405 0.22761 -1.78274 0.26083 2.42249 1.04875 -1.04637 -3.13863 -0.98149 -3.07661 1.11431 3.10217 1.00705 -1.08521 -0.08434 2.99683 -3.08880 -0.00763 -3.00303 0.08592 0.00860 3.09755 3.07042 -0.02901 -0.01405 -3.11348 0.01216 3.11105 -3.07582 0.02307 -3.11710 0.03553 -0.01736 3.13528 3.11802 -0.03454 0.01827 -3.13429 3.10852 -0.02764 0.00842 -3.12774 -3.10689 0.03473 -0.00410 3.13752 -0.00565 -3.14053 3.13064 -0.00423 -0.00297 -3.13941 3.13859 0.00216 3.13996 -0.00138 -0.00841 3.13343 -3.13562 0.00573 0.00083 -3.14101 -0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00000 -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 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 -0.00003 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 0.00000 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 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 -0.00001 0.00001 0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00001 0.00000 0.00001 -0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00000 -0.00001 0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -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 -0.00000 -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 0.00000 -0.00001 0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00001 -0.00002 0.00002 0.00004 0.00003 -0.00001 -0.00002 -0.00000 0.00002 0.00002 0.00001 0.00028 0.00028 -0.00020 -0.00019 -0.00000 -0.00001 -0.00004 -0.00003 -0.00005 -0.00003 -0.00003 -0.00004 -0.00000 0.00001 -0.00001 0.00001 0.00002 0.00000 0.00001 -0.00000 -0.00002 -0.00001 -0.00002 -0.00003 -0.00003 -0.00001 -0.00001 -0.00001 -0.00002 -0.00002 -0.00002 0.00003 0.00001 0.00001 0.00000 0.00002 0.00001 -0.00003 -0.00003 -0.00002 -0.00004 -0.00004 -0.00004 -0.00003 -0.00003 -0.00003 0.00000 0.00000 0.00000 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 -0.00002 0.00002 -0.00001 0.00002 0.00001 0.00001 0.00000 -0.00002 -0.00003 0.00001 -0.00001 -0.00000 0.00001 -0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00001 0.00001 0.00001 -0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00001 -0.00001 -0.00002 -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 0.00001 0.00000 0.00001 -0.00001 0.00003 0.00000 0.00000 0.00001 0.00002 0.00000 -0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00002 -0.00001 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00002 0.00002 -0.00000 -0.00000 -0.00000 0.00001 -0.00002 -0.00000 -0.00002 0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 0.00002 0.00001 0.00001 0.00001 0.00000 0.00002 0.00000 -0.00000 0.00001 -0.00001 -0.00002 0.00001 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00002 0.00000 -0.00000 0.00002 -0.00001 0.00001 -0.00001 0.00002 0.00000 -0.00001 0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00000 0.00001 -0.00000 -0.00001 -0.00003 0.00002 0.00002 -0.00000 -0.00001 -0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00002 0.00002 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00001 -0.00002 0.00001 0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00002 -0.00001 -0.00001 0.00002 0.00001 0.00001 0.00001 0.00001 -0.00002 0.00001 -0.00000 0.00001 0.00003 0.00004 0.00001 0.00000 0.00006 0.00000 -0.00002 -0.00000 -0.00001 0.00005 0.00007 0.00006 0.00001 -0.00002 -0.00005 -0.00009 -0.00002 -0.00001 -0.00002 0.00001 0.00002 0.00001 0.00002 0.00001 0.00001 0.00002 0.00000 0.00000 0.00003 0.00002 0.00002 -0.00002 -0.00001 0.00000 0.00001 -0.00002 -0.00002 -0.00001 -0.00002 -0.00001 -0.00001 -0.00002 -0.00000 0.00001 0.00001 0.00002 -0.00003 -0.00002 -0.00004 -0.00003 -0.00003 -0.00005 -0.00005 -0.00004 -0.00006 0.00002 0.00005 0.00001 0.00005 -0.00002 -0.00002 -0.00002 -0.00002 -0.00000 -0.00000 -0.00004 -0.00003 -0.00002 -0.00000 -0.00002 -0.00000 0.00001 -0.00001 0.00001 -0.00001 0.00001 0.00003 -0.00000 0.00001 -0.00001 -0.00002 -0.00001 -0.00001 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00001 -0.00001 0.00002 0.00000 0.00000 0.00002 0.00003 0.00000 -0.00004 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00002 -0.00002 -0.00001 0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00002 -0.00000 -0.00000 0.00000 0.00002 -0.00001 -0.00000 -0.00002 -0.00000 0.00001 -0.00000 0.00000 0.00000 0.00002 0.00001 -0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00001 0.00002 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00002 -0.00001 0.00000 0.00003 -0.00001 0.00001 -0.00001 0.00002 0.00001 -0.00001 0.00001 -0.00002 -0.00001 0.00001 -0.00000 0.00001 0.00000 0.00000 -0.00001 -0.00003 0.00002 0.00002 -0.00000 -0.00001 -0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00002 0.00002 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00001 -0.00002 0.00002 -0.00003 0.00001 -0.00000 0.00001 -0.00001 -0.00002 0.00000 0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00003 -0.00002 -0.00003 0.00004 0.00005 0.00004 -0.00000 -0.00001 -0.00002 0.00003 0.00001 0.00002 0.00031 0.00032 -0.00019 -0.00019 0.00006 -0.00001 -0.00006 -0.00004 -0.00006 0.00002 0.00004 0.00002 0.00001 -0.00001 -0.00006 -0.00008 0.00000 -0.00000 -0.00001 0.00001 0.00000 0.00001 -0.00000 -0.00002 -0.00002 0.00001 -0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00001 0.00000 0.00001 0.00001 0.00000 -0.00001 -0.00004 -0.00005 -0.00003 -0.00005 -0.00006 -0.00004 -0.00002 -0.00003 -0.00001 -0.00003 -0.00002 -0.00004 -0.00002 -0.00001 -0.00003 -0.00004 -0.00003 -0.00005 0.00003 0.00003 0.00003 0.00004 -0.00001 -0.00001 -0.00001 -0.00001 -0.00002 -0.00003 -0.00003 -0.00004 -0.00003 0.00001 -0.00002 0.00001 0.00000 -0.00001 0.00001 -0.00000 0.00002 0.00004 -0.00001 0.00001 -0.00000 -0.00002 -0.00000 -0.00002 -0.00000 -0.00001 0.00000 -0.00001 0.00000 -0.00000 0.00002 0.00001 0.00000 -0.00000 0.00001 0.00001 0.00000 0.00000 0.00001 0.00001 -0.00001 -0.00000 -0.00000 -0.00000 3.33456 3.32811 2.67596 2.72613 2.67161 2.70062 2.60707 2.61907 2.56820 2.74017 2.55623 2.49744 2.49543 2.57893 2.92533 2.90659 2.92111 2.87297 2.06597 2.05708 2.05674 2.05897 2.07277 2.64860 2.64192 2.06486 2.06239 2.06853 2.62590 2.62671 2.04401 2.62954 2.04413 2.62243 2.04552 2.03919 2.03932 2.63574 2.63321 2.63357 2.04623 2.62801 2.04637 2.62714 2.04537 2.63207 2.04535 1.89180 1.84719 2.05790 2.12255 1.90978 2.23483 1.79013 1.79155 1.83592 1.86575 1.97621 1.90194 1.93701 1.94205 1.80356 1.93795 1.85435 1.99258 1.93793 1.92910 1.97895 1.91124 1.88686 1.88713 1.88202 1.91714 1.81981 1.88086 1.92966 1.98423 1.93710 1.90966 2.15862 2.07035 2.04628 1.92679 1.92750 1.92491 1.89441 1.89629 1.89311 2.12902 2.02881 2.12389 2.13109 2.05896 2.09195 2.08116 2.10696 2.09430 2.07676 2.12011 2.08553 2.09477 2.08173 2.10663 1.92672 2.14289 2.21355 2.00648 2.12517 2.15152 2.14655 2.02870 2.10724 2.08325 2.12197 2.07795 2.09094 2.07998 2.11227 2.09022 2.08961 2.10334 2.08445 2.10221 2.09652 2.08808 2.08486 2.11024 -0.52097 -2.54135 1.59704 0.19128 -1.95226 2.23256 0.65143 2.64673 -1.49198 -0.51798 -2.63184 1.56502 1.17978 -1.97269 0.39545 -2.78590 2.97949 0.01488 -1.31344 0.79573 2.88406 1.61571 -2.55830 -0.46997 -0.01404 3.12023 -2.96408 0.17020 -0.01146 3.12437 0.00649 -3.12742 0.00344 -3.13229 -2.75173 1.40873 -0.66329 1.55563 -0.56709 -2.63911 -0.58581 -2.70854 1.50263 0.88265 -2.39785 2.94273 -0.33778 -1.21933 1.78336 0.19870 2.24227 -1.87924 2.30552 -1.93411 0.22757 -1.78276 0.26080 2.42248 1.04872 -1.04639 -3.13867 -0.98151 -3.07662 1.11428 3.10213 1.00702 -1.08527 -0.08432 2.99687 -3.08877 -0.00759 -3.00304 0.08591 0.00859 3.09754 3.07040 -0.02905 -0.01408 -3.11352 0.01214 3.11105 -3.07584 0.02308 -3.11710 0.03552 -0.01735 3.13528 3.11804 -0.03450 0.01826 -3.13428 3.10852 -0.02766 0.00842 -3.12776 -3.10689 0.03472 -0.00410 3.13751 -0.00565 -3.14053 3.13066 -0.00421 -0.00297 -3.13941 3.13860 0.00216 3.13997 -0.00138 -0.00840 3.13344 -3.13562 0.00572 0.00083 -3.14101 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000014 0.000003 0.001268 0.000212 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -3.017018e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 1 2 3 3 4 4 5 5 6 6 6 7 8 8 9 9 10 10 10 11 11 12 12 13 13 14 14 14 15 16 16 17 17 18 18 20 21 22 22 23 23 24 24 25 25 26 26 15 27 9 10 9 12 19 22 7 11 20 21 20 21 11 13 12 14 28 29 30 31 32 15 16 33 34 35 17 18 36 19 37 19 38 39 40 23 24 25 41 26 42 27 43 27 44 1.7646 1.7611 1.4161 1.4426 1.4137 1.4291 1.3796 1.386 1.359 1.45 1.3527 1.3216 1.3205 1.3647 1.548 1.5381 1.5458 1.5203 1.0933 1.0886 1.0884 1.0896 1.0969 1.4016 1.398 1.0927 1.0914 1.0946 1.3896 1.39 1.0816 1.3915 1.0817 1.3877 1.0824 1.0791 1.0792 1.3948 1.3934 1.3936 1.0828 1.3907 1.0829 1.3902 1.0824 1.3928 1.0824 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 9 9 19 7 7 11 6 20 3 3 3 4 4 11 3 3 3 12 12 14 6 6 6 9 9 29 4 4 4 10 10 31 9 9 15 10 10 10 33 33 34 1 1 13 13 13 18 15 15 19 16 16 19 5 5 17 6 6 8 7 7 8 5 5 23 22 22 25 22 22 26 23 23 27 24 24 27 2 2 25 3 4 5 6 6 6 7 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 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 25 25 25 26 26 26 27 27 27 10 12 22 11 20 20 21 21 4 11 13 11 13 13 12 14 28 14 28 28 9 29 30 29 30 30 10 31 32 31 32 32 15 16 16 33 34 35 34 35 35 13 17 17 18 36 36 19 37 37 19 38 38 17 18 18 8 39 39 8 40 40 23 24 24 25 41 41 26 42 42 27 43 43 27 44 44 25 26 26 108.3918 105.837 117.9076 121.6124 109.4222 128.0461 102.5667 102.648 105.1907 106.8996 113.2276 108.9735 110.9823 111.2716 103.3364 111.0366 106.2477 114.1666 111.0352 110.5279 113.3858 109.5058 108.1099 108.1235 107.8312 109.8445 104.2666 107.7662 110.5623 113.6871 110.9876 109.4151 123.6797 118.6221 117.2439 110.3985 110.4367 110.2882 108.5419 108.6499 108.4675 121.9837 116.2428 121.6894 122.1023 117.9695 119.8597 119.242 120.7206 119.9933 118.9895 121.4737 119.492 120.022 119.2742 120.7008 110.3929 122.7787 126.8269 114.9629 121.7633 123.2729 122.9877 116.2354 120.7373 119.3601 121.5818 119.0574 119.8019 119.1732 121.0249 119.7618 119.7256 120.5114 119.4296 120.4479 120.1219 119.6383 119.4543 120.9073 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 10 10 10 9 9 9 12 12 12 9 9 9 22 22 19 19 11 20 7 7 7 20 20 20 7 7 11 11 6 6 21 21 20 20 3 3 3 4 4 4 13 13 13 3 3 4 4 11 11 3 3 3 14 14 14 28 28 28 3 3 3 12 12 12 28 28 28 9 9 16 16 9 9 15 15 1 1 13 13 13 13 36 36 15 15 37 37 16 16 38 38 5 5 24 24 5 5 23 23 22 22 41 41 22 22 42 42 23 23 43 43 24 24 44 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 7 7 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 13 13 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 22 22 22 22 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 9 9 9 10 10 10 9 9 9 12 12 12 19 19 22 22 7 7 11 11 11 11 11 11 20 20 20 20 21 21 20 20 21 21 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 12 12 12 12 12 12 12 12 12 14 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 19 19 19 19 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 27 27 27 4 11 13 12 14 28 3 11 13 10 31 32 17 18 23 24 21 21 9 29 30 9 29 30 8 39 8 39 8 40 6 39 7 40 6 29 30 6 29 30 6 29 30 15 16 15 16 15 16 4 31 32 4 31 32 4 31 32 33 34 35 33 34 35 33 34 35 1 17 1 17 18 36 18 36 19 37 19 37 19 38 19 38 5 18 5 18 5 17 5 17 25 41 25 41 26 42 26 42 27 43 27 43 27 44 27 44 2 26 2 26 2 25 2 -29.8474 -145.6071 91.505 10.9571 -111.8596 127.9141 37.3243 151.6471 -85.4831 -29.6792 -150.7943 89.6676 67.5786 -113.0453 22.6687 -159.6097 170.7085 0.8528 -75.2514 45.5942 165.2479 92.5722 -146.5822 -26.9285 -0.8051 178.7764 -169.8254 9.7562 -0.6567 179.0134 0.3722 -179.1883 0.197 -179.4675 -157.6625 80.7153 -38.0025 89.131 -32.4913 -151.209 -33.5652 -155.1875 86.0948 50.5717 -137.3869 168.6051 -19.3535 -69.8622 102.1791 11.3872 128.4752 -107.671 132.0991 -110.8129 13.041 -102.1436 14.9444 138.7982 60.0892 -59.9524 -179.8303 -56.2353 -176.2769 63.8452 177.7414 57.6999 -62.1781 -4.8326 171.7059 -176.9755 -0.4369 -172.0608 4.9228 0.493 177.4766 175.922 -1.6624 -0.8048 -178.3892 0.6968 178.25 -176.2312 1.3219 -178.5969 2.0359 -0.9946 179.6382 178.6492 -1.979 1.0467 -179.5815 178.1049 -1.5839 0.4827 -179.2061 -178.0114 1.9901 -0.2348 179.7667 -0.324 -179.9388 179.3727 -0.2422 -0.1704 -179.8748 179.8281 0.1236 179.9067 -0.0792 -0.4816 179.5325 -179.6577 0.3282 0.0478 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0550910261 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 8.003962 0.000000 2.953899 10.353182 0.000000 4.508122 11.194254 2.219344 0.000000 5.064738 5.853170 6.408869 6.275033 0.000000 4.107007 10.881439 3.636167 3.077179 5.988411 0.000000 5.314519 11.677912 4.447445 3.186639 6.381133 1.335254 0.000000 5.227512 10.596020 5.605022 4.919365 5.631005 2.173363 2.243957 0.000000 3.159761 10.269012 1.395415 1.394213 5.689385 2.475284 3.156933 4.381246 0.000000 4.031206 10.728613 1.418143 2.326938 6.807202 4.722270 5.273652 6.660626 2.284003 0.000000 3.469551 10.939214 2.363313 2.392744 6.392754 1.434696 2.421240 3.566526 1.535260 3.546372 0.000000 4.853840 11.157014 2.319941 1.409265 6.572907 4.414526 4.582785 6.222131 2.242365 1.539877 3.559208 0.000000 2.733963 8.905815 2.432692 2.403240 4.163934 2.820290 3.500756 4.068041 1.527858 3.118590 2.527740 2.993800 0.000000 4.026186 9.765088 2.432382 3.533479 6.441312 5.752328 6.386779 7.481416 3.302381 1.515028 4.679390 2.557005 3.527857 0.000000 1.733759 7.740828 2.993650 3.704353 3.659487 3.547535 4.484267 4.449461 2.576228 3.818773 3.271861 4.117757 1.390956 3.828732 0.000000 3.995241 8.977090 3.608172 2.740108 3.605513 3.277861 3.473992 4.019603 2.522586 3.956102 3.441506 3.312914 1.393691 4.290546 2.370515 0.000000 2.653865 6.535515 4.335017 4.819230 2.413829 4.491774 5.291464 4.817200 3.854363 4.992389 4.517827 5.161107 2.432561 4.733719 1.387322 2.758310 0.000000 4.489094 7.982669 4.779745 4.108323 2.338351 4.277815 4.454562 4.420629 3.813021 5.092467 4.640264 4.528960 2.430215 5.112397 2.758547 1.380485 2.401910 0.000000 3.956073 6.679525 5.071228 4.976043 1.356821 4.803942 5.281663 4.811540 4.335410 5.526292 5.084743 5.323352 2.808657 5.297970 2.394586 2.390866 1.387150 1.387750 0.000000 4.055441 10.198298 4.503487 4.228938 5.513170 1.341753 2.188244 1.306974 3.420582 5.681231 2.498119 5.486014 3.247007 6.499493 3.528335 3.626074 4.162663 4.248081 4.494091 0.000000 5.819931 11.476322 5.503701 4.333369 6.141899 2.064758 1.310715 1.349889 4.178369 6.381412 3.446958 5.686566 4.125083 7.357146 4.889836 3.874191 5.408479 4.499429 5.240820 2.072144 0.000000 5.289731 4.488285 7.055173 7.269364 1.366143 6.971928 7.522904 6.646428 6.543406 7.459883 7.253825 7.452778 5.031642 6.881072 4.214671 4.734497 2.839691 3.580838 2.361333 6.412956 7.301760 0.000000 6.047301 3.985395 8.113950 8.367557 2.360942 7.648843 8.218447 6.995626 7.559401 8.655286 8.071920 8.676717 6.065173 8.134898 5.160037 5.803066 3.783823 4.639752 3.432143 6.879262 7.816722 1.385191 0.000000 5.306224 3.984328 7.001477 7.456322 2.401847 7.605215 8.236331 7.617415 6.737960 7.232366 7.639392 7.391387 5.301272 6.396849 4.418397 5.165992 3.181600 4.172864 3.004522 7.206704 8.203627 1.388675 2.406823 0.000000 6.738450 2.697364 9.014742 9.490603 3.631931 8.817080 9.478911 8.223767 8.612301 9.537687 9.140968 9.708208 7.150307 8.870637 6.108471 7.020320 4.761213 5.905388 4.633217 8.026096 9.108626 2.398725 1.386157 2.778261 0.000000 6.071509 2.697049 8.019470 8.691413 3.656728 8.771792 9.488193 8.752592 7.893379 8.260517 8.753042 8.572819 6.507726 7.302390 5.487697 6.498601 4.290176 5.542603 4.321314 8.300944 9.437174 2.398599 2.776478 1.384238 2.407771 0.000000 6.739922 1.726813 8.963768 9.626834 4.126494 9.316222 10.045779 9.017096 8.752112 9.353112 9.440079 9.654294 7.333552 8.493426 6.240396 7.310628 4.961874 6.274913 4.983032 8.663163 9.837703 2.761474 2.395601 2.396627 1.385086 1.386956 0.000000 4.755827 11.651625 2.031012 2.969022 7.895405 5.340815 5.867230 7.400423 3.063551 1.094263 4.046353 2.185086 4.126401 2.144777 4.798246 4.987832 6.020144 6.167006 6.609441 6.387215 7.061110 8.522510 9.706021 8.252879 10.555047 9.228660 10.330914 0.000000 4.385145 12.000043 2.715904 2.512866 7.412010 2.070266 2.645059 4.198687 2.156710 3.708145 1.089642 3.652739 3.448339 5.050607 4.300889 4.251227 5.575642 5.532735 6.096984 3.276738 3.831791 8.307602 9.149245 8.662758 10.225975 9.784854 10.507061 3.942408 0.000000 2.858283 10.602119 2.489278 3.292412 6.544581 2.052132 3.279135 3.886203 2.147591 3.868819 1.089007 4.259266 2.904295 4.833154 3.186013 4.048689 4.443335 5.102595 5.266750 2.633398 4.099686 7.237171 7.967356 7.576511 8.928774 8.572491 9.195411 4.309033 1.767510 0.000000 5.869708 12.193142 3.137783 2.037116 7.560143 5.084583 5.066790 6.930362 3.135466 2.210840 4.233876 1.090187 4.035539 3.254485 5.198077 4.235757 6.241604 5.447811 6.339755 6.263505 6.234121 8.476258 9.713341 8.402129 10.758836 9.586004 10.694159 2.373128 4.067044 4.996315 0.000000 5.054768 10.569512 3.010345 2.079636 5.940815 4.879862 4.982923 6.429505 2.788090 2.189384 4.232775 1.097553 2.977582 2.578668 4.041966 2.951570 4.840857 3.955946 4.795184 5.802198 5.929198 6.825577 8.108354 6.714544 9.138778 7.923324 9.050110 2.996536 4.512314 4.922415 1.773113 0.000000 3.667617 8.833511 2.729195 3.582393 5.397359 5.545005 6.174404 7.038189 3.234249 2.165868 4.680603 2.792098 2.973376 1.090708 3.140848 3.593095 3.835996 4.212729 4.310429 6.133422 6.998951 5.825208 7.104513 5.346787 7.859022 6.308051 7.504218 3.062920 5.249280 4.851673 3.677369 2.468758 0.000000 3.821153 9.610182 2.711866 4.326916 6.876049 6.194929 6.993439 7.937059 3.838432 2.161107 5.029720 3.501128 4.080461 1.089240 4.072912 5.039666 4.977331 5.798757 5.764438 6.850025 7.949536 7.142249 8.325840 6.561867 8.932301 7.307700 8.467755 2.487713 5.411550 4.951677 4.164523 3.646411 1.766036 0.000000 5.103296 10.301840 3.367819 4.088290 7.061966 6.628575 7.127800 8.359455 4.161345 2.151166 5.577489 2.845249 4.403294 1.091421 4.802975 4.948465 5.596120 5.715854 6.000604 7.443383 8.126506 7.501904 8.810935 6.919509 9.524113 7.801228 9.066543 2.480995 5.844704 5.826986 3.253717 2.704494 1.765928 1.761384 0.000000 4.863886 9.979952 3.876900 2.360557 4.461651 3.332906 3.140020 4.163852 2.690668 4.044496 3.553287 3.023489 2.135955 4.607587 3.352879 1.081011 3.839022 2.125005 3.365385 3.938962 3.659457 5.670445 6.731553 6.113301 7.986480 7.468538 8.299942 4.980441 4.138156 4.383945 3.746557 2.692629 4.068774 5.482082 5.123598 0.000000 2.750059 5.680306 5.007752 5.782919 2.699242 5.271285 6.178343 5.465952 4.712635 5.714432 5.261946 6.074749 3.400843 5.306000 2.137363 3.839274 1.081399 3.390217 2.156261 4.782143 6.225612 2.595646 3.318122 2.824537 4.067964 3.666790 4.205003 6.690223 6.329947 4.994272 7.163820 5.779640 4.431126 5.355471 6.182729 4.919827 0.000000 5.569803 8.333820 5.697696 4.719158 2.553785 4.959197 4.876572 4.841872 4.666914 5.882369 5.465055 5.109963 3.407601 5.907451 3.839919 2.144367 3.381243 1.081485 2.142462 4.926477 4.776893 3.881282 4.866061 4.562044 6.171363 5.933182 6.615109 6.938546 6.280459 6.029119 5.910665 4.427784 5.009198 6.676282 6.382097 2.454189 4.285685 0.000000 3.434130 9.576553 4.536302 4.761703 5.418968 2.131259 3.215015 2.136310 3.696665 5.820526 2.826969 5.890462 3.400564 6.486558 3.256808 4.032501 3.835892 4.522869 4.441320 1.079746 3.131533 6.118149 6.492141 6.861888 7.522836 7.835686 8.128054 6.525499 3.706525 2.536572 6.752942 6.200972 6.101152 6.678465 7.501690 4.569486 4.242531 5.324613 0.000000 6.850018 12.112600 6.426005 5.012978 6.625229 3.104198 2.090477 2.140709 5.070536 7.188804 4.433970 6.328494 4.986541 8.171853 5.811109 4.503204 6.216193 4.999158 5.856133 3.113051 1.078767 7.850268 8.323054 8.820784 9.653821 10.081491 10.450359 7.859634 4.704688 5.149173 6.774492 6.501330 7.793424 8.837147 8.868425 4.124137 7.054829 5.054131 4.143577 0.000000 6.370022 4.843674 8.396279 8.479663 2.581935 7.442822 7.927186 6.500212 7.694114 9.031418 8.047430 8.945288 6.221109 8.674562 5.419901 5.866661 4.104774 4.694340 3.634478 6.558430 7.367310 2.139332 1.081842 3.384558 2.146451 3.858291 3.379552 10.088022 9.114485 7.979058 9.965998 8.422552 7.662354 8.921752 9.392481 6.730019 3.768952 4.824227 6.225941 7.792569 0.000000 5.071779 4.836596 6.383375 6.814115 2.657966 7.374347 7.971534 7.652774 6.202334 6.443396 7.269662 6.591828 4.836108 5.518923 4.104566 4.702428 3.077208 3.849307 2.896628 7.167106 8.091490 2.149832 3.388913 1.082407 3.860627 2.139604 3.377569 7.451740 8.237557 7.281886 7.566961 5.860266 4.461002 5.745950 5.952672 5.595515 2.979375 4.274385 6.905245 8.722242 4.279093 0.000000 7.504848 2.843992 9.900555 10.377697 4.501398 9.471369 10.131089 8.694287 9.464540 10.498267 9.878355 10.670902 8.018018 9.878130 6.959583 7.891621 5.634206 6.772086 5.522406 8.572993 9.658560 3.379400 2.143154 3.859272 1.081016 3.387246 2.143820 11.509276 10.967468 9.624372 11.727286 10.132544 8.880485 9.913139 10.562340 8.846664 4.906510 6.999858 8.031950 10.169095 2.474969 4.941629 0.000000 6.418325 2.841521 8.243451 9.051459 4.537963 9.399755 10.149547 9.570832 8.279325 8.359059 9.236592 8.776826 6.981163 7.249159 5.973754 7.055357 4.919192 6.205102 5.055149 9.029491 10.206507 3.379979 3.857503 2.141199 3.386519 1.081032 2.144830 9.267958 10.231079 9.034395 9.755976 8.115037 6.312925 7.171794 7.652401 8.004619 4.311545 6.624916 8.550617 10.884087 4.939319 2.464323 4.278800 0.000000 C19H17Cl2N3O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3025642 0.0864752 0.0770645 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 8.644119 0.000000 3.030138 10.904135 0.000000 4.576972 10.881277 2.247896 0.000000 5.078915 5.912314 6.509887 6.344979 0.000000 3.948135 8.617567 3.656547 3.190272 5.758595 0.000000 5.161236 8.814326 4.518426 3.334148 5.996589 1.359037 0.000000 4.868149 6.673137 5.569878 5.038751 5.057660 2.195096 2.265251 0.000000 3.198692 10.005623 1.416056 1.413746 5.712238 2.506176 3.198740 4.374866 0.000000 4.167369 11.912934 1.442604 2.349586 7.016867 4.789462 5.395423 6.682468 2.318488 0.000000 3.464949 9.733977 2.382451 2.412091 6.328008 1.450033 2.452649 3.597712 1.548030 3.578017 0.000000 4.954382 11.760377 2.345065 1.429093 6.738241 4.523239 4.740202 6.316244 2.267975 1.545789 3.591415 0.000000 2.774561 8.803784 2.467586 2.433464 4.185191 2.799566 3.425650 3.950311 1.538111 3.180094 2.547512 3.030742 0.000000 4.189829 11.963952 2.442742 3.573562 6.767150 5.806257 6.481930 7.455835 3.341973 1.520304 4.718463 2.573904 3.609436 0.000000 1.764577 8.034272 3.063449 3.752674 3.662431 3.388709 4.279437 4.092140 2.592533 3.950461 3.249581 4.206641 1.401588 4.010075 0.000000 4.044566 8.583296 3.633472 2.749132 3.652077 3.311723 3.404727 3.994726 2.525951 3.995840 3.464627 3.324875 1.398034 4.363136 2.390178 0.000000 2.685705 6.977158 4.421883 4.865942 2.400123 4.258782 4.964722 4.282836 3.865052 5.166926 4.461453 5.279409 2.437520 5.000962 1.389556 2.772209 0.000000 4.540668 7.609521 4.840908 4.135964 2.387765 4.198978 4.227388 4.190226 3.823029 5.204632 4.624069 4.602916 2.439678 5.293934 2.779209 1.390000 2.415339 0.000000 3.991589 6.724894 5.149721 5.008236 1.379601 4.584749 4.919830 4.304934 4.334788 5.693591 5.015692 5.437611 2.805714 5.570503 2.399220 2.393239 1.391507 1.387724 0.000000 3.743070 7.372158 4.456568 4.329560 5.184579 1.352696 2.213454 1.320526 3.418875 5.688675 2.519931 5.560869 3.192888 6.478161 3.259923 3.679935 3.795977 4.167555 4.194302 0.000000 5.552189 7.693216 5.528798 4.475961 5.567106 2.091684 1.321587 1.364711 4.194268 6.464116 3.482059 5.824938 4.002268 7.397445 4.577803 3.785684 4.923652 4.190441 4.723074 2.096525 0.000000 5.509752 4.528737 7.297515 7.182384 1.385973 5.977636 6.222379 4.807951 6.438589 7.997198 6.762073 7.762006 4.978389 7.858253 4.319066 4.563064 3.041219 3.384286 2.369413 5.131092 5.538138 0.000000 5.364202 4.028692 7.142868 6.956890 2.443621 5.188941 5.405848 3.678929 6.166606 8.023560 6.176671 7.766838 4.870090 8.127830 4.290267 4.558729 3.276823 3.626327 2.830714 4.181281 4.550779 1.394764 0.000000 6.567540 4.023661 8.551424 8.528108 2.360091 7.340649 7.593965 6.068413 7.770139 9.215099 8.115065 9.031037 6.288065 8.938046 5.525828 5.879541 4.174566 4.638684 3.593797 6.428819 6.848339 1.393429 2.423565 0.000000 6.322659 2.730555 8.293761 8.156802 3.697743 6.029870 6.228962 4.206907 7.324321 9.269949 7.128377 9.050561 6.123780 9.415775 5.484534 5.882601 4.518267 4.999631 4.212570 4.865956 5.202425 2.406993 1.393626 2.790309 0.000000 7.372676 2.730210 9.533228 9.530335 3.643602 7.956280 8.198317 6.401431 8.716375 10.317557 8.860095 10.154361 7.301424 10.122901 6.497252 6.954713 5.207237 5.774472 4.758873 6.893472 7.295688 2.408700 2.797483 1.390681 2.421141 0.000000 7.253982 1.761148 9.408013 9.356209 4.151466 7.375657 7.592481 5.596376 8.510641 10.331343 8.415104 10.152586 7.220320 10.326257 6.468392 6.945420 5.337027 5.912561 4.994748 6.211061 6.572965 2.767598 2.407986 2.403637 1.390222 1.392834 0.000000 4.882239 12.864600 2.039335 2.966479 8.095849 5.383476 5.988955 7.415998 3.075678 1.093267 4.043609 2.190409 4.171748 2.161535 4.914696 5.012976 6.183097 6.264540 6.763597 6.370595 7.149695 9.046342 9.015561 10.272027 10.227076 11.349200 11.318247 0.000000 4.444840 10.652586 2.781343 2.455510 7.303573 2.083663 2.666540 4.254249 2.151680 3.750843 1.088560 3.645208 3.434089 5.102170 4.287797 4.193900 5.513955 5.442201 5.985950 3.319613 3.876753 7.757662 7.135690 9.126243 8.056240 9.861454 9.374242 3.967371 0.000000 2.892671 9.691905 2.440185 3.281599 6.578867 2.065985 3.313424 3.933292 2.147745 3.834171 1.088378 4.242632 2.979243 4.822577 3.240025 4.137344 4.483109 5.177467 5.301335 2.667365 4.145862 6.925203 6.327963 8.216943 7.194712 8.901491 8.437511 4.215851 1.781547 0.000000 5.975587 12.721702 3.173932 2.044429 7.715915 5.213019 5.265488 7.069730 3.162478 2.220329 4.267028 1.089562 4.066438 3.270130 5.282025 4.232708 6.351358 5.502488 6.439399 6.365276 6.425919 8.747600 8.726546 10.023660 9.999129 11.146951 11.125694 2.390488 4.058830 4.968270 0.000000 5.123740 11.457491 3.008518 2.084832 6.124911 4.952657 5.084233 6.472399 2.780106 2.192517 4.239184 1.096864 2.975808 2.600765 4.102863 2.933159 4.948994 4.025165 4.915129 5.841747 6.007907 7.260582 7.432781 8.468949 8.773984 9.665481 9.790103 3.016023 4.473319 4.901291 1.784597 0.000000 3.790026 11.077473 2.708896 3.615375 5.741473 5.572589 6.222497 6.970480 3.249778 2.159462 4.702056 2.802397 3.035802 1.092675 3.305494 3.665633 4.107157 4.408323 4.602023 6.087381 6.987093 6.875289 7.246097 7.916331 8.559648 9.133570 9.408240 3.067853 5.270686 4.847687 3.688335 2.480945 0.000000 4.004040 12.179144 2.707854 4.356598 7.220580 6.216423 7.061322 7.867094 3.870044 2.158960 5.055201 3.512205 4.165513 1.091369 4.268978 5.120214 5.271685 5.991368 6.057378 6.784762 7.954845 8.232095 8.490467 9.255415 9.717388 10.392487 10.590327 2.489015 5.470472 4.923025 4.174949 3.665779 1.772980 0.000000 5.268731 12.832846 3.387797 4.126302 7.419809 6.698944 7.245458 8.358181 4.201223 2.159533 5.618788 2.860260 4.476993 1.094620 4.979445 5.009838 5.869867 5.898566 6.287320 7.441721 8.193441 8.598376 8.956880 9.640140 10.281146 10.880716 11.159452 2.516797 5.891245 5.814127 3.268374 2.735508 1.776822 1.773730 0.000000 4.902263 9.338965 3.858486 2.325334 4.527329 3.472909 3.220270 4.339863 2.673250 4.007088 3.589394 2.959415 2.131403 4.593208 3.366129 1.081645 3.853132 2.144565 3.375119 4.129868 3.779630 5.425814 5.355383 6.737116 6.635162 7.790786 7.736890 4.928625 4.064844 4.460896 3.666853 2.594898 4.060837 5.476574 5.091526 0.000000 2.799793 6.545222 5.125232 5.844971 2.635200 5.000610 5.812767 4.824144 4.739656 5.930747 5.207192 6.220607 3.417340 5.628439 2.153292 3.853737 1.081706 3.392756 2.147388 4.334887 5.666724 2.969737 3.294574 3.849760 4.342810 4.780300 4.975388 6.902876 6.287123 5.039224 7.305048 5.913297 4.746462 5.723602 6.518081 4.934387 0.000000 5.621790 7.686920 5.761845 4.751537 2.608410 4.913341 4.670339 4.678109 4.683645 5.994188 5.456955 5.187825 3.423480 6.089099 3.861385 2.162152 3.390615 1.082443 2.139267 4.903795 4.504089 3.560392 3.884076 4.690384 5.188502 5.814278 6.012439 7.037375 6.180230 6.109211 5.967571 4.508872 5.206861 6.868462 6.568501 2.493814 4.277934 0.000000 3.081844 7.186031 4.445865 4.834789 5.213250 2.138868 3.239989 2.148599 3.684875 5.781047 2.845541 5.926651 3.389475 6.421802 3.034983 4.143725 3.553741 4.548195 4.266376 1.079091 3.155120 5.090137 4.194856 6.300913 4.804247 6.722717 6.063629 6.448513 3.751660 2.572911 6.805848 6.213573 6.026800 6.563629 7.452981 4.775161 3.861849 5.403492 0.000000 6.568772 7.746105 6.461721 5.163271 5.931231 3.132259 2.100647 2.154761 5.085763 7.286292 4.470001 6.482916 4.841345 8.218950 5.473521 4.368469 5.675406 4.607662 5.251958 3.137407 1.079160 5.841163 4.848775 7.083443 5.390729 7.462340 6.710807 7.975618 4.751061 5.195893 6.996847 6.588887 7.778529 8.849527 8.946651 4.213623 6.426828 4.675663 4.167255 0.000000 4.820404 4.870761 6.322964 6.025904 2.727197 4.132159 4.326175 2.659939 5.260654 7.247326 5.178574 6.939596 4.073662 7.513259 3.678528 3.796687 2.954147 3.103556 2.579806 3.172743 3.504378 2.167894 1.082817 3.412505 2.140217 3.880140 3.383354 8.205745 6.104362 5.400885 7.869960 6.698884 6.708431 7.917648 8.364646 4.537542 3.247365 3.481551 3.338244 3.896118 0.000000 6.951326 4.888512 8.868192 8.885478 2.551671 8.038429 8.301332 6.947760 8.176195 9.397442 8.693164 9.230764 6.652228 8.960486 5.888924 6.203704 4.504479 4.914513 3.882277 7.222934 7.653452 2.141346 3.396616 1.082892 3.873025 2.158476 3.393803 10.469795 9.708870 8.804879 10.217746 8.572466 7.899565 9.277384 9.578391 7.057868 4.160802 4.907427 7.082385 7.896676 4.299026 0.000000 6.556232 2.873657 8.445525 8.266378 4.583596 5.810824 5.972660 3.804426 7.432855 9.515591 7.013793 9.287397 6.396669 9.812434 5.841199 6.230038 5.077868 5.525864 4.880288 4.586571 4.853653 3.388247 2.146993 3.872663 1.082362 3.402398 2.152244 10.414514 7.872980 7.062331 10.197803 9.122725 9.033270 10.102674 10.718163 6.905390 4.964307 5.745294 4.566116 5.004558 2.456233 4.955365 0.000000 8.275781 2.864973 10.514866 10.559302 4.510622 9.032061 9.279552 7.468263 9.741786 11.269985 9.916188 11.133133 8.307073 10.993691 7.461067 7.955664 6.139457 6.738576 5.705596 7.958018 8.366233 3.393378 3.879806 2.151979 3.399357 1.082351 2.150478 12.307566 10.926582 9.930427 12.130675 10.605787 9.984025 11.233827 11.724965 8.794214 5.632896 6.730687 7.749872 8.503876 4.962412 2.497307 4.293226 0.000000 C19H17Cl2N3O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3415609 0.0914625 0.0838149 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= 729 729 729 729 729 MxSgAt= 44 MxSgA2= 44. 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2760.6423280070 44 44 44 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 -0.0541225688 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2766.2476632976 44 44 44 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 -0.0545747693 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2771.2205315490 44 44 44 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 -0.0549002081 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2767.5481851618 44 44 44 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 -0.0545849268 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2768.4537976836 44 44 44 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 -0.0546209855 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2769.3744633324 44 44 44 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 -0.0546485188 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2769.7881027917 44 44 44 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 -0.0546554124 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2770.0574633107 44 44 44 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 -0.0546495109 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2769.8806030086 44 44 44 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 -0.0546193817 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2769.8594127208 44 44 44 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 -0.0545690766 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2770.1578152753 44 44 44 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 -0.0545416576 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2770.7269367346 44 44 44 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 -0.0545108242 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2773.7916106233 44 44 44 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 -0.0544850482 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2774.5748423855 44 44 44 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 -0.0544950217 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2772.1337717899 44 44 44 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 -0.0544551306 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2775.8363761416 44 44 44 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 -0.0545603084 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2780.7258445594 44 44 44 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 -0.0549649068 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2779.1227447163 44 44 44 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 -0.0547141003 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2786.7876067575 44 44 44 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 -0.0551712454 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2815.5991786648 44 44 44 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 -0.0571879162 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2787.0691541106 44 44 44 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 -0.0549338531 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2809.5591745859 44 44 44 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 -0.0564279436 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2785.6330952199 44 44 44 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 -0.0548607954 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2810.3730256567 44 44 44 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 -0.0565965546 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2809.9840751916 44 44 44 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 -0.0565081665 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2657.2491278200 44 44 44 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 -0.0528568951 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2815.0952656811 44 44 44 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 -0.0569215561 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2815.6962737285 44 44 44 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 -0.0570265898 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2819.2593735130 44 44 44 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 -0.0572791796 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2822.4635451010 44 44 44 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 -0.0575783110 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2819.1335771577 44 44 44 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 -0.0573330134 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2820.2476071022 44 44 44 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 -0.0574526914 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2821.7533932823 44 44 44 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 -0.0575814077 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2823.5072090031 44 44 44 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 -0.0577492209 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2824.0155643392 44 44 44 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 -0.0577866981 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2824.3976134537 44 44 44 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 -0.0578174388 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2824.6302463210 44 44 44 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 -0.0578372432 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2824.6154307361 44 44 44 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 -0.0578437401 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2824.4832068217 44 44 44 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 -0.0578368840 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2824.4803273103 44 44 44 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 -0.0578385010 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= 712 RedAO= T EigKep= 1.31D-06 NBF= 712 NBsUse= 708 1.00D-06 EigRej= 9.13D-07 NBFU= 708 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= 723 722 723 723 723 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 1 1 -2044.32696524384 -2044.56331909222 -0.236353848381 -2044.88536537635 -0.322046284133 -2044.91402890819 -0.028663531837 -2044.93547733609 -0.021448427907 -2044.93632648667 -0.000849150578 -2044.93648920919 -0.000162722517 -2044.93650170495 -0.000012495760 -2044.93650281629 -0.000001111337 -2044.93650304694 -0.000000230653 -2044.93650306054 -0.000000013596 -2044.93650306198 -0.000000001449 -2044.93650306240 -0.000000000415 -2044.93650306252 -0.000000000116 -2044.93650306246 0.000000000058 -2044.93650306303 -0.000000000573 -2044.93650306 16 2.039055867563e+03 -1.039193494521e+04 3.516187942767e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830043202 LenY= 2829496342 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. -6.29827142e-02 -1.44256341e+00 -4.42158960e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 17 17 8 8 8 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 -0.000003551 -0.001026113 0.014801576 -0.011839152 -0.005401748 0.006517556 0.000947826 -0.001114430 0.015927838 0.009087627 0.008646418 -0.009783649 -0.001418567 0.005654957 -0.010896575 0.000917328 -0.006192404 0.010020363 0.014928885 -0.003277821 -0.011067115 -0.010873300 0.010759420 -0.003071560 -0.006716013 0.009157353 0.000949143 0.004524922 -0.010897891 -0.002978401 0.005031384 -0.001751782 0.007185174 0.003398484 -0.010336991 -0.005888133 -0.000783623 -0.000643969 -0.001444052 -0.003329332 -0.003630508 0.000689232 -0.001196828 0.000660828 -0.004519775 0.003003112 0.000434920 -0.004711624 -0.004241095 -0.000338708 0.003273111 0.000787175 0.001420162 -0.004919701 0.006370145 -0.001342131 0.001822697 -0.009242100 -0.002881995 0.014470827 0.000780686 0.011374950 -0.014207285 -0.005801320 -0.002276512 0.004421067 -0.000636735 0.005000155 -0.001613702 0.003202282 -0.003957514 -0.001622884 -0.003589347 0.004155581 0.000874215 0.000885853 -0.005402165 0.000925555 0.005066805 0.002294003 -0.002970195 0.000202219 0.001116590 0.000575941 0.000239969 -0.001711547 -0.001573900 -0.001017489 -0.001497051 -0.000300197 0.000633022 0.000959310 0.000086634 -0.001324771 0.001113566 0.000257408 -0.000804170 0.001816090 -0.000549603 0.000163810 0.000476485 0.002058569 0.001219959 -0.001571380 -0.001489097 0.001788045 -0.000215692 0.000809573 -0.000201374 -0.000033392 -0.000861207 -0.001475538 -0.000021372 -0.000513405 0.000272740 -0.000401431 -0.000034339 0.000174396 0.000218973 -0.000525050 0.001308789 0.000602579 -0.000558256 0.001229861 0.000856174 -0.000383999 -0.001088140 0.000223210 0.000434263 -0.000582879 -0.001017181 0.000382961 0.015927838 0.005092546 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -2044.94355637769 -2044.94357612626 -0.000019748572 -2044.94357606420 0.000000062065 -2044.94357629773 -0.000000233535 -2044.94357631283 -0.000000015095 -2044.94357631537 -0.000000002543 -2044.94357631607 -0.000000000695 -2044.94357631595 0.000000000110 -2044.94357631597 -0.000000000014 -2044.94357631580 0.000000000173 -2044.94357632 10 2.038246389341e+03 -1.045685443009e+04 3.549241975623e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830043202 LenY= 2829496342 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) PT318851.600S Mon Jul 5 19:21:42 2021 1.74287181e+00 -1.04852483e+00 -2.37986237e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -2044.9435763 6.7E-9 5.351E-6 0.8325674,-2.3962282,1.5636608,-1.1027298,0.6233076,2.8414752 C01 [X(C19H17Cl2N3O3)] 1.5999713 -1.2617628 -0.2041821 -0.000001638 0.000000970 -0.000002982 -0.000005780 0.000003279 0.000001740 -0.000001208 0.000002503 0.000001167 -0.000002179 0.000010925 -0.000002902 -0.000009874 0.000010345 0.000002687 -0.000005791 -0.000004816 -0.000004977 -0.000002703 -0.000000319 0.000004846 0.000000927 -0.000000707 0.000002987 -0.000008901 -0.000001698 0.000004049 0.000003875 -0.000003679 -0.000006889 0.000003181 -0.000006148 -0.000001589 0.000005846 -0.000013510 0.000003340 0.000005747 0.000000451 0.000018188 0.000001545 -0.000000362 0.000000967 0.000011947 0.000004661 -0.000002083 -0.000010077 -0.000000653 -0.000012683 -0.000014101 -0.000001994 -0.000015068 0.000008780 0.000006175 0.000000242 0.000001430 -0.000003507 0.000014843 0.000003466 0.000002719 -0.000000232 0.000002582 -0.000000331 0.000001288 0.000016906 -0.000016361 -0.000010094 -0.000009218 0.000008078 0.000001251 0.000003149 -0.000001593 -0.000000564 0.000002536 0.000006913 0.000002594 -0.000003323 0.000006127 0.000001495 0.000004962 -0.000008870 -0.000003988 -0.000002007 0.000002673 0.000001423 0.000001523 0.000000256 0.000003575 -0.000000517 0.000001336 0.000000616 -0.000000652 0.000001855 0.000000174 -0.000000526 0.000002515 0.000000162 -0.000000218 0.000001782 -0.000001446 -0.000000366 -0.000002774 -0.000002098 -0.000001495 -0.000002424 -0.000001382 -0.000000517 0.000000723 0.000000463 0.000003142 -0.000001091 0.000001377 0.000000774 0.000001364 -0.000000521 -0.000000780 -0.000002935 0.000001266 -0.000000279 0.000001155 0.000001328 0.000003260 -0.000003148 -0.000000287 -0.000001659 -0.000000224 -0.000001981 0.000000486 0.000000660 0.000000601 -0.000002257 -0.000000320 -0.000000901 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 GINC-CIBELES20 PAULAPLA Optimization difenoconazole_RR CONF49 gas EM64L-G16RevC.01 126 C1[X(C19H17Cl2N3O3)] 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 0 0 0 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Optimization difenoconazole_RR CONF49 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 42 43 44 35 35 16 16 16 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 34.9688527 15.9949146 15.9949146 15.9949146 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 3 0 0 0 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 14.2400000 5.6000000 5.6000000 5.6000000 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/difenoconazole_RR/gas/CONF49/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 R44 R45 R46 R47 1 2 3 3 4 4 5 5 6 6 6 7 8 8 9 9 10 10 10 11 11 12 12 13 13 14 14 14 15 16 16 17 17 18 18 20 21 22 22 23 23 24 24 25 25 26 26 15 27 9 10 9 12 19 22 7 11 20 21 20 21 11 13 12 14 28 29 30 31 32 15 16 33 34 35 17 18 36 19 37 19 38 39 40 23 24 25 41 26 42 27 43 27 44 1.7646 1.7611 1.4161 1.4426 1.4137 1.4291 1.3796 1.386 1.359 1.45 1.3527 1.3216 1.3205 1.3647 1.548 1.5381 1.5458 1.5203 1.0933 1.0886 1.0884 1.0896 1.0969 1.4016 1.398 1.0927 1.0914 1.0946 1.3896 1.39 1.0816 1.3915 1.0817 1.3877 1.0824 1.0791 1.0792 1.3948 1.3934 1.3936 1.0828 1.3907 1.0829 1.3902 1.0824 1.3928 1.0824 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 9 9 19 7 7 11 6 20 3 3 3 4 4 11 3 3 3 12 12 14 6 6 6 9 9 29 4 4 4 10 10 31 9 9 15 10 10 10 33 33 34 1 1 13 13 13 18 15 15 19 16 16 19 5 5 17 6 6 8 7 7 8 5 5 23 22 22 25 22 22 26 23 23 27 24 24 27 2 2 25 3 4 5 6 6 6 7 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 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 25 25 25 26 26 26 27 27 27 10 12 22 11 20 20 21 21 4 11 13 11 13 13 12 14 28 14 28 28 9 29 30 29 30 30 10 31 32 31 32 32 15 16 16 33 34 35 34 35 35 13 17 17 18 36 36 19 37 37 19 38 38 17 18 18 8 39 39 8 40 40 23 24 24 25 41 41 26 42 42 27 43 43 27 44 44 25 26 26 108.3918 105.837 117.9076 121.6124 109.4222 128.0461 102.5667 102.648 105.1907 106.8996 113.2276 108.9735 110.9823 111.2716 103.3364 111.0366 106.2477 114.1666 111.0352 110.5279 113.3858 109.5058 108.1099 108.1235 107.8312 109.8445 104.2666 107.7662 110.5623 113.6871 110.9876 109.4151 123.6797 118.6221 117.2439 110.3985 110.4367 110.2882 108.5419 108.6499 108.4675 121.9837 116.2428 121.6894 122.1023 117.9695 119.8597 119.242 120.7206 119.9933 118.9895 121.4737 119.492 120.022 119.2742 120.7008 110.3929 122.7787 126.8269 114.9629 121.7633 123.2729 122.9877 116.2354 120.7373 119.3601 121.5818 119.0574 119.8019 119.1732 121.0249 119.7618 119.7256 120.5114 119.4296 120.4479 120.1219 119.6383 119.4543 120.9073 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 10 10 10 9 9 9 12 12 12 9 9 9 22 22 19 19 11 20 7 7 7 20 20 20 7 7 11 11 6 6 21 21 20 20 3 3 3 4 4 4 13 13 13 3 3 4 4 11 11 3 3 3 14 14 14 28 28 28 3 3 3 12 12 12 28 28 28 9 9 16 16 9 9 15 15 1 1 13 13 13 13 36 36 15 15 37 37 16 16 38 38 5 5 24 24 5 5 23 23 22 22 41 41 22 22 42 42 23 23 43 43 24 24 44 44 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 7 7 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 13 13 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 22 22 22 22 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 9 9 9 10 10 10 9 9 9 12 12 12 19 19 22 22 7 7 11 11 11 11 11 11 20 20 20 20 21 21 20 20 21 21 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 12 12 12 12 12 12 12 12 12 14 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 19 19 19 19 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 27 27 27 27 4 11 13 12 14 28 3 11 13 10 31 32 17 18 23 24 21 21 9 29 30 9 29 30 8 39 8 39 8 40 6 39 7 40 6 29 30 6 29 30 6 29 30 15 16 15 16 15 16 4 31 32 4 31 32 4 31 32 33 34 35 33 34 35 33 34 35 1 17 1 17 18 36 18 36 19 37 19 37 19 38 19 38 5 18 5 18 5 17 5 17 25 41 25 41 26 42 26 42 27 43 27 43 27 44 27 44 2 26 2 26 2 25 2 25 -29.8474 -145.6071 91.505 10.9571 -111.8596 127.9141 37.3243 151.6471 -85.4831 -29.6792 -150.7943 89.6676 67.5786 -113.0453 22.6687 -159.6097 170.7085 0.8528 -75.2514 45.5942 165.2479 92.5722 -146.5822 -26.9285 -0.8051 178.7764 -169.8254 9.7562 -0.6567 179.0134 0.3722 -179.1883 0.197 -179.4675 -157.6625 80.7153 -38.0025 89.131 -32.4913 -151.209 -33.5652 -155.1875 86.0948 50.5717 -137.3869 168.6051 -19.3535 -69.8622 102.1791 11.3872 128.4752 -107.671 132.0991 -110.8129 13.041 -102.1436 14.9444 138.7982 60.0892 -59.9524 -179.8303 -56.2353 -176.2769 63.8452 177.7414 57.6999 -62.1781 -4.8326 171.7059 -176.9755 -0.4369 -172.0608 4.9228 0.493 177.4766 175.922 -1.6624 -0.8048 -178.3892 0.6968 178.25 -176.2312 1.3219 -178.5969 2.0359 -0.9946 179.6382 178.6492 -1.979 1.0467 -179.5815 178.1049 -1.5839 0.4827 -179.2061 -178.0114 1.9901 -0.2348 179.7667 -0.324 -179.9388 179.3727 -0.2422 -0.1704 -179.8748 179.8281 0.1236 179.9067 -0.0792 -0.4816 179.5325 -179.6577 0.3282 0.0478 -179.9663 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00059 0.00105 0.00286 0.00417 0.00623 0.00845 0.01049 0.01466 0.01614 0.01734 0.01762 0.01808 0.01834 0.01920 0.02067 0.02269 0.02386 0.02425 0.02445 0.02541 0.02628 0.02724 0.02809 0.02849 0.02957 0.03334 0.03646 0.03679 0.03950 0.04115 0.04277 0.04469 0.04535 0.04819 0.04948 0.05195 0.05843 0.06091 0.06219 0.06848 0.07268 0.08192 0.08681 0.09351 0.10490 0.10783 0.10895 0.10918 0.11271 0.11437 0.11579 0.11646 0.11743 0.11865 0.12221 0.12316 0.12357 0.12464 0.14193 0.15018 0.15516 0.16004 0.16032 0.17506 0.17713 0.18211 0.18504 0.19133 0.19519 0.19781 0.20969 0.21224 0.21433 0.21789 0.23043 0.23394 0.24192 0.24790 0.25122 0.25231 0.25906 0.26230 0.26913 0.28333 0.29129 0.29948 0.31456 0.31705 0.32564 0.32842 0.33153 0.33487 0.33622 0.34048 0.34338 0.34554 0.34774 0.35021 0.35843 0.35929 0.36129 0.36205 0.36232 0.36269 0.36494 0.36657 0.36955 0.37055 0.37436 0.38393 0.40360 0.41214 0.41299 0.43113 0.44954 0.45778 0.46090 0.46551 0.46744 0.47421 0.49728 0.50976 0.51392 0.52200 0.54990 0.60013 Angle between quadratic step and forces= 79.89 degrees. 1 2 0.00054690 0.00000029 0.00000007 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 R44 R45 R46 R47 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 A74 A75 A76 A77 A78 A79 A80 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 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 3.33457 3.32809 2.67596 2.72613 2.67159 2.70060 2.60707 2.61911 2.56821 2.74017 2.55622 2.49744 2.49543 2.57893 2.92535 2.90661 2.92112 2.87296 2.06598 2.05708 2.05674 2.05897 2.07277 2.64862 2.64190 2.06486 2.06239 2.06853 2.62588 2.62672 2.04401 2.62957 2.04413 2.62242 2.04552 2.03919 2.03932 2.63572 2.63320 2.63357 2.04623 2.62801 2.04637 2.62714 2.04537 2.63208 2.04535 1.89179 1.84720 2.05788 2.12254 1.90978 2.23483 1.79013 1.79155 1.83592 1.86575 1.97619 1.90195 1.93701 1.94206 1.80356 1.93795 1.85437 1.99258 1.93793 1.92908 1.97895 1.91124 1.88687 1.88711 1.88201 1.91715 1.81980 1.88087 1.92968 1.98421 1.93710 1.90965 2.15862 2.07035 2.04629 1.92682 1.92748 1.92489 1.89441 1.89630 1.89312 2.12902 2.02882 2.12388 2.13109 2.05896 2.09195 2.08117 2.10697 2.09428 2.07676 2.12012 2.08553 2.09478 2.08173 2.10663 1.92672 2.14289 2.21355 2.00648 2.12517 2.15152 2.14654 2.02869 2.10726 2.08323 2.12200 2.07794 2.09094 2.07996 2.11228 2.09024 2.08961 2.10332 2.08444 2.10221 2.09652 2.08808 2.08487 2.11023 -0.52093 -2.54132 1.59706 0.19124 -1.95232 2.23252 0.65143 2.64674 -1.49196 -0.51800 -2.63186 1.56499 1.17947 -1.97301 0.39564 -2.78572 2.97943 0.01488 -1.31338 0.79577 2.88412 1.61569 -2.55834 -0.46999 -0.01405 3.12024 -2.96401 0.17028 -0.01146 3.12437 0.00650 -3.12743 0.00344 -3.13230 -2.75173 1.40875 -0.66327 1.55563 -0.56708 -2.63910 -0.58582 -2.70853 1.50264 0.88264 -2.39785 2.94271 -0.33778 -1.21933 1.78336 0.19874 2.24231 -1.87921 2.30556 -1.93405 0.22761 -1.78274 0.26083 2.42249 1.04875 -1.04637 -3.13863 -0.98149 -3.07661 1.11431 3.10217 1.00705 -1.08521 -0.08434 2.99683 -3.08880 -0.00763 -3.00303 0.08592 0.00860 3.09755 3.07042 -0.02901 -0.01405 -3.11348 0.01216 3.11105 -3.07582 0.02307 -3.11710 0.03553 -0.01736 3.13528 3.11802 -0.03454 0.01827 -3.13429 3.10852 -0.02764 0.00842 -3.12774 -3.10689 0.03473 -0.00410 3.13752 -0.00565 -3.14053 3.13064 -0.00423 -0.00297 -3.13941 3.13859 0.00216 3.13996 -0.00138 -0.00841 3.13343 -3.13562 0.00573 0.00083 -3.14101 -0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00000 -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 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00004 -0.00001 0.00002 0.00002 0.00004 0.00002 -0.00005 -0.00001 0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00003 -0.00002 -0.00002 0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00003 0.00004 0.00000 -0.00000 0.00000 0.00004 -0.00003 -0.00000 -0.00005 -0.00000 0.00002 0.00000 0.00000 0.00000 0.00002 0.00001 -0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00001 0.00002 0.00001 0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00000 -0.00001 -0.00000 -0.00001 -0.00003 -0.00001 0.00001 0.00004 -0.00002 0.00001 -0.00002 0.00003 0.00002 -0.00002 0.00001 -0.00002 -0.00003 0.00001 0.00001 0.00001 0.00001 -0.00000 -0.00001 -0.00004 0.00003 0.00003 0.00000 -0.00001 -0.00001 0.00000 -0.00001 0.00001 -0.00001 -0.00000 0.00001 -0.00001 -0.00003 0.00004 0.00001 -0.00000 -0.00000 -0.00002 0.00002 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00003 0.00000 -0.00003 0.00004 -0.00004 0.00001 0.00000 0.00002 -0.00002 -0.00003 0.00000 0.00003 0.00001 -0.00001 -0.00000 -0.00000 -0.00001 0.00001 -0.00004 -0.00004 -0.00003 0.00005 0.00007 0.00005 -0.00001 0.00001 -0.00001 0.00004 0.00003 0.00004 0.00088 0.00091 -0.00067 -0.00062 0.00014 -0.00002 -0.00010 -0.00007 -0.00010 0.00010 0.00013 0.00010 0.00002 -0.00002 -0.00016 -0.00020 0.00001 0.00001 -0.00001 0.00003 0.00000 0.00001 -0.00001 -0.00003 -0.00003 -0.00002 -0.00004 -0.00004 -0.00001 -0.00003 -0.00003 -0.00004 -0.00001 -0.00004 -0.00000 -0.00005 -0.00002 -0.00005 -0.00006 -0.00003 -0.00007 -0.00008 -0.00005 -0.00002 -0.00003 0.00000 -0.00010 -0.00009 -0.00013 -0.00008 -0.00008 -0.00011 -0.00012 -0.00012 -0.00015 0.00012 0.00010 0.00009 0.00007 -0.00006 -0.00004 -0.00003 -0.00001 -0.00006 -0.00007 -0.00004 -0.00005 -0.00004 0.00001 -0.00006 -0.00001 -0.00001 -0.00004 0.00001 -0.00002 0.00004 0.00007 -0.00001 0.00002 0.00004 0.00000 -0.00002 -0.00006 -0.00004 -0.00005 0.00002 0.00000 0.00001 -0.00001 0.00005 0.00003 0.00000 -0.00000 0.00001 0.00001 0.00001 0.00001 0.00003 0.00003 -0.00002 -0.00001 -0.00001 -0.00001 -0.00001 0.00004 -0.00001 0.00002 0.00002 0.00004 0.00002 -0.00005 -0.00001 0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00003 -0.00002 -0.00002 0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00003 0.00004 0.00000 -0.00000 0.00000 0.00004 -0.00003 -0.00000 -0.00005 -0.00000 0.00002 0.00000 0.00000 0.00000 0.00002 0.00001 -0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00001 0.00002 0.00001 0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00000 -0.00001 -0.00000 -0.00001 -0.00003 -0.00001 0.00001 0.00004 -0.00002 0.00001 -0.00002 0.00003 0.00002 -0.00002 0.00001 -0.00002 -0.00003 0.00001 0.00001 0.00001 0.00001 -0.00000 -0.00001 -0.00004 0.00003 0.00003 0.00000 -0.00001 -0.00001 0.00000 -0.00001 0.00001 -0.00001 -0.00000 0.00001 -0.00001 -0.00003 0.00004 0.00001 -0.00000 -0.00000 -0.00002 0.00002 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00003 0.00000 -0.00003 0.00004 -0.00004 0.00001 0.00000 0.00002 -0.00002 -0.00003 0.00000 0.00003 0.00001 -0.00001 -0.00000 -0.00000 -0.00001 0.00001 -0.00004 -0.00004 -0.00003 0.00005 0.00007 0.00005 -0.00001 0.00001 -0.00001 0.00004 0.00003 0.00004 0.00088 0.00091 -0.00067 -0.00062 0.00014 -0.00002 -0.00010 -0.00007 -0.00010 0.00010 0.00013 0.00010 0.00002 -0.00002 -0.00016 -0.00020 0.00001 0.00001 -0.00001 0.00003 0.00000 0.00001 -0.00001 -0.00003 -0.00003 -0.00002 -0.00004 -0.00004 -0.00001 -0.00003 -0.00003 -0.00004 -0.00001 -0.00004 -0.00000 -0.00005 -0.00002 -0.00005 -0.00006 -0.00003 -0.00007 -0.00008 -0.00005 -0.00002 -0.00003 0.00000 -0.00010 -0.00009 -0.00013 -0.00008 -0.00008 -0.00011 -0.00012 -0.00012 -0.00015 0.00012 0.00010 0.00009 0.00007 -0.00006 -0.00004 -0.00003 -0.00001 -0.00006 -0.00007 -0.00004 -0.00005 -0.00004 0.00001 -0.00006 -0.00001 -0.00001 -0.00004 0.00001 -0.00002 0.00004 0.00007 -0.00001 0.00002 0.00004 0.00000 -0.00002 -0.00006 -0.00004 -0.00005 0.00002 0.00000 0.00001 -0.00001 0.00005 0.00003 0.00000 -0.00000 0.00001 0.00001 0.00001 0.00001 0.00003 0.00003 -0.00002 -0.00001 -0.00001 -0.00001 3.33455 3.32813 2.67595 2.72615 2.67161 2.70064 2.60709 2.61906 2.56819 2.74017 2.55622 2.49744 2.49543 2.57893 2.92532 2.90659 2.92110 2.87296 2.06597 2.05708 2.05674 2.05897 2.07277 2.64858 2.64194 2.06486 2.06239 2.06853 2.62592 2.62669 2.04401 2.62952 2.04413 2.62244 2.04552 2.03919 2.03932 2.63574 2.63321 2.63357 2.04623 2.62802 2.04637 2.62714 2.04537 2.63207 2.04535 1.89179 1.84719 2.05788 2.12256 1.90978 2.23483 1.79013 1.79155 1.83592 1.86576 1.97620 1.90194 1.93701 1.94205 1.80356 1.93794 1.85434 1.99257 1.93794 1.92912 1.97894 1.91125 1.88685 1.88714 1.88203 1.91713 1.81981 1.88085 1.92965 1.98423 1.93711 1.90966 2.15863 2.07035 2.04628 1.92677 1.92751 1.92492 1.89441 1.89628 1.89311 2.12902 2.02881 2.12389 2.13108 2.05895 2.09196 2.08116 2.10694 2.09432 2.07677 2.12011 2.08553 2.09475 2.08175 2.10663 1.92672 2.14290 2.21355 2.00648 2.12518 2.15152 2.14657 2.02869 2.10723 2.08326 2.12196 2.07795 2.09094 2.07998 2.11226 2.09021 2.08961 2.10335 2.08445 2.10221 2.09652 2.08808 2.08486 2.11024 -0.52097 -2.54136 1.59703 0.19129 -1.95224 2.23258 0.65143 2.64675 -1.49197 -0.51796 -2.63183 1.56504 1.18035 -1.97211 0.39497 -2.78633 2.97957 0.01486 -1.31348 0.79570 2.88402 1.61579 -2.55821 -0.46989 -0.01403 3.12022 -2.96417 0.17008 -0.01145 3.12438 0.00648 -3.12739 0.00344 -3.13229 -2.75174 1.40871 -0.66330 1.55561 -0.56712 -2.63913 -0.58583 -2.70856 1.50261 0.88260 -2.39786 2.94268 -0.33779 -1.21938 1.78334 0.19869 2.24225 -1.87925 2.30549 -1.93413 0.22756 -1.78276 0.26080 2.42249 1.04865 -1.04646 -3.13876 -0.98158 -3.07669 1.11420 3.10205 1.00694 -1.08536 -0.08422 2.99693 -3.08872 -0.00756 -3.00309 0.08587 0.00857 3.09754 3.07036 -0.02909 -0.01408 -3.11353 0.01212 3.11106 -3.07587 0.02307 -3.11711 0.03550 -0.01735 3.13526 3.11806 -0.03447 0.01826 -3.13427 3.10856 -0.02764 0.00840 -3.12780 -3.10693 0.03468 -0.00408 3.13752 -0.00565 -3.14053 3.13069 -0.00420 -0.00297 -3.13941 3.13861 0.00217 3.13998 -0.00137 -0.00838 3.13346 -3.13563 0.00571 0.00082 -3.14102 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000014 0.000003 0.003208 0.000547 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -5.921663e-09 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2824.4803273103 44 44 44 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 -0.0578385010 0.000000 8.644119 0.000000 3.030138 10.904135 0.000000 4.576972 10.881277 2.247896 0.000000 5.078915 5.912314 6.509887 6.344979 0.000000 3.948135 8.617567 3.656547 3.190272 5.758595 0.000000 5.161236 8.814326 4.518426 3.334148 5.996589 1.359037 0.000000 4.868149 6.673137 5.569878 5.038751 5.057660 2.195096 2.265251 0.000000 3.198692 10.005623 1.416056 1.413746 5.712238 2.506176 3.198740 4.374866 0.000000 4.167369 11.912934 1.442604 2.349586 7.016867 4.789462 5.395423 6.682468 2.318488 0.000000 3.464949 9.733977 2.382451 2.412091 6.328008 1.450033 2.452649 3.597712 1.548030 3.578017 0.000000 4.954382 11.760377 2.345065 1.429093 6.738241 4.523239 4.740202 6.316244 2.267975 1.545789 3.591415 0.000000 2.774561 8.803784 2.467586 2.433464 4.185191 2.799566 3.425650 3.950311 1.538111 3.180094 2.547512 3.030742 0.000000 4.189829 11.963952 2.442742 3.573562 6.767150 5.806257 6.481930 7.455835 3.341973 1.520304 4.718463 2.573904 3.609436 0.000000 1.764577 8.034272 3.063449 3.752674 3.662431 3.388709 4.279437 4.092140 2.592533 3.950461 3.249581 4.206641 1.401588 4.010075 0.000000 4.044566 8.583296 3.633472 2.749132 3.652077 3.311723 3.404727 3.994726 2.525951 3.995840 3.464627 3.324875 1.398034 4.363136 2.390178 0.000000 2.685705 6.977158 4.421883 4.865942 2.400123 4.258782 4.964722 4.282836 3.865052 5.166926 4.461453 5.279409 2.437520 5.000962 1.389556 2.772209 0.000000 4.540668 7.609521 4.840908 4.135964 2.387765 4.198978 4.227388 4.190226 3.823029 5.204632 4.624069 4.602916 2.439678 5.293934 2.779209 1.390000 2.415339 0.000000 3.991589 6.724894 5.149721 5.008236 1.379601 4.584749 4.919830 4.304934 4.334788 5.693591 5.015692 5.437611 2.805714 5.570503 2.399220 2.393239 1.391507 1.387724 0.000000 3.743070 7.372158 4.456568 4.329560 5.184579 1.352696 2.213454 1.320526 3.418875 5.688675 2.519931 5.560869 3.192888 6.478161 3.259923 3.679935 3.795977 4.167555 4.194302 0.000000 5.552189 7.693216 5.528798 4.475961 5.567106 2.091684 1.321587 1.364711 4.194268 6.464116 3.482059 5.824938 4.002268 7.397445 4.577803 3.785684 4.923652 4.190441 4.723074 2.096525 0.000000 5.509752 4.528737 7.297515 7.182384 1.385973 5.977636 6.222379 4.807951 6.438589 7.997198 6.762073 7.762006 4.978389 7.858253 4.319066 4.563064 3.041219 3.384286 2.369413 5.131092 5.538138 0.000000 5.364202 4.028692 7.142868 6.956890 2.443621 5.188941 5.405848 3.678929 6.166606 8.023560 6.176671 7.766838 4.870090 8.127830 4.290267 4.558729 3.276823 3.626327 2.830714 4.181281 4.550779 1.394764 0.000000 6.567540 4.023661 8.551424 8.528108 2.360091 7.340649 7.593965 6.068413 7.770139 9.215099 8.115065 9.031037 6.288065 8.938046 5.525828 5.879541 4.174566 4.638684 3.593797 6.428819 6.848339 1.393429 2.423565 0.000000 6.322659 2.730555 8.293761 8.156802 3.697743 6.029870 6.228962 4.206907 7.324321 9.269949 7.128377 9.050561 6.123780 9.415775 5.484534 5.882601 4.518267 4.999631 4.212570 4.865956 5.202425 2.406993 1.393626 2.790309 0.000000 7.372676 2.730210 9.533228 9.530335 3.643602 7.956280 8.198317 6.401431 8.716375 10.317557 8.860095 10.154361 7.301424 10.122901 6.497252 6.954713 5.207237 5.774472 4.758873 6.893472 7.295688 2.408700 2.797483 1.390681 2.421141 0.000000 7.253982 1.761148 9.408013 9.356209 4.151466 7.375657 7.592481 5.596376 8.510641 10.331343 8.415104 10.152586 7.220320 10.326257 6.468392 6.945420 5.337027 5.912561 4.994748 6.211061 6.572965 2.767598 2.407986 2.403637 1.390222 1.392834 0.000000 4.882239 12.864600 2.039335 2.966479 8.095849 5.383476 5.988955 7.415998 3.075678 1.093267 4.043609 2.190409 4.171748 2.161535 4.914696 5.012976 6.183097 6.264540 6.763597 6.370595 7.149695 9.046342 9.015561 10.272027 10.227076 11.349200 11.318247 0.000000 4.444840 10.652586 2.781343 2.455510 7.303573 2.083663 2.666540 4.254249 2.151680 3.750843 1.088560 3.645208 3.434089 5.102170 4.287797 4.193900 5.513955 5.442201 5.985950 3.319613 3.876753 7.757662 7.135690 9.126243 8.056240 9.861454 9.374242 3.967371 0.000000 2.892671 9.691905 2.440185 3.281599 6.578867 2.065985 3.313424 3.933292 2.147745 3.834171 1.088378 4.242632 2.979243 4.822577 3.240025 4.137344 4.483109 5.177467 5.301335 2.667365 4.145862 6.925203 6.327963 8.216943 7.194712 8.901491 8.437511 4.215851 1.781547 0.000000 5.975587 12.721702 3.173932 2.044429 7.715915 5.213019 5.265488 7.069730 3.162478 2.220329 4.267028 1.089562 4.066438 3.270130 5.282025 4.232708 6.351358 5.502488 6.439399 6.365276 6.425919 8.747600 8.726546 10.023660 9.999129 11.146951 11.125694 2.390488 4.058830 4.968270 0.000000 5.123740 11.457491 3.008518 2.084832 6.124911 4.952657 5.084233 6.472399 2.780106 2.192517 4.239184 1.096864 2.975808 2.600765 4.102863 2.933159 4.948994 4.025165 4.915129 5.841747 6.007907 7.260582 7.432781 8.468949 8.773984 9.665481 9.790103 3.016023 4.473319 4.901291 1.784597 0.000000 3.790026 11.077473 2.708896 3.615375 5.741473 5.572589 6.222497 6.970480 3.249778 2.159462 4.702056 2.802397 3.035802 1.092675 3.305494 3.665633 4.107157 4.408323 4.602023 6.087381 6.987093 6.875289 7.246097 7.916331 8.559648 9.133570 9.408240 3.067853 5.270686 4.847687 3.688335 2.480945 0.000000 4.004040 12.179144 2.707854 4.356598 7.220580 6.216423 7.061322 7.867094 3.870044 2.158960 5.055201 3.512205 4.165513 1.091369 4.268978 5.120214 5.271685 5.991368 6.057378 6.784762 7.954845 8.232095 8.490467 9.255415 9.717388 10.392487 10.590327 2.489015 5.470472 4.923025 4.174949 3.665779 1.772980 0.000000 5.268731 12.832846 3.387797 4.126302 7.419809 6.698944 7.245458 8.358181 4.201223 2.159533 5.618788 2.860260 4.476993 1.094620 4.979445 5.009838 5.869867 5.898566 6.287320 7.441721 8.193441 8.598376 8.956880 9.640140 10.281146 10.880716 11.159452 2.516797 5.891245 5.814127 3.268374 2.735508 1.776822 1.773730 0.000000 4.902263 9.338965 3.858486 2.325334 4.527329 3.472909 3.220270 4.339863 2.673250 4.007088 3.589394 2.959415 2.131403 4.593208 3.366129 1.081645 3.853132 2.144565 3.375119 4.129868 3.779630 5.425814 5.355383 6.737116 6.635162 7.790786 7.736890 4.928625 4.064844 4.460896 3.666853 2.594898 4.060837 5.476574 5.091526 0.000000 2.799793 6.545222 5.125232 5.844971 2.635200 5.000610 5.812767 4.824144 4.739656 5.930747 5.207192 6.220607 3.417340 5.628439 2.153292 3.853737 1.081706 3.392756 2.147388 4.334887 5.666724 2.969737 3.294574 3.849760 4.342810 4.780300 4.975388 6.902876 6.287123 5.039224 7.305048 5.913297 4.746462 5.723602 6.518081 4.934387 0.000000 5.621790 7.686920 5.761845 4.751537 2.608410 4.913341 4.670339 4.678109 4.683645 5.994188 5.456955 5.187825 3.423480 6.089099 3.861385 2.162152 3.390615 1.082443 2.139267 4.903795 4.504089 3.560392 3.884076 4.690384 5.188502 5.814278 6.012439 7.037375 6.180230 6.109211 5.967571 4.508872 5.206861 6.868462 6.568501 2.493814 4.277934 0.000000 3.081844 7.186031 4.445865 4.834789 5.213250 2.138868 3.239989 2.148599 3.684875 5.781047 2.845541 5.926651 3.389475 6.421802 3.034983 4.143725 3.553741 4.548195 4.266376 1.079091 3.155120 5.090137 4.194856 6.300913 4.804247 6.722717 6.063629 6.448513 3.751660 2.572911 6.805848 6.213573 6.026800 6.563629 7.452981 4.775161 3.861849 5.403492 0.000000 6.568772 7.746105 6.461721 5.163271 5.931231 3.132259 2.100647 2.154761 5.085763 7.286292 4.470001 6.482916 4.841345 8.218950 5.473521 4.368469 5.675406 4.607662 5.251958 3.137407 1.079160 5.841163 4.848775 7.083443 5.390729 7.462340 6.710807 7.975618 4.751061 5.195893 6.996847 6.588887 7.778529 8.849527 8.946651 4.213623 6.426828 4.675663 4.167255 0.000000 4.820404 4.870761 6.322964 6.025904 2.727197 4.132159 4.326175 2.659939 5.260654 7.247326 5.178574 6.939596 4.073662 7.513259 3.678528 3.796687 2.954147 3.103556 2.579806 3.172743 3.504378 2.167894 1.082817 3.412505 2.140217 3.880140 3.383354 8.205745 6.104362 5.400885 7.869960 6.698884 6.708431 7.917648 8.364646 4.537542 3.247365 3.481551 3.338244 3.896118 0.000000 6.951326 4.888512 8.868192 8.885478 2.551671 8.038429 8.301332 6.947760 8.176195 9.397442 8.693164 9.230764 6.652228 8.960486 5.888924 6.203704 4.504479 4.914513 3.882277 7.222934 7.653452 2.141346 3.396616 1.082892 3.873025 2.158476 3.393803 10.469795 9.708870 8.804879 10.217746 8.572466 7.899565 9.277384 9.578391 7.057868 4.160802 4.907427 7.082385 7.896676 4.299026 0.000000 6.556232 2.873657 8.445525 8.266378 4.583596 5.810824 5.972660 3.804426 7.432855 9.515591 7.013793 9.287397 6.396669 9.812434 5.841199 6.230038 5.077868 5.525864 4.880288 4.586571 4.853653 3.388247 2.146993 3.872663 1.082362 3.402398 2.152244 10.414514 7.872980 7.062331 10.197803 9.122725 9.033270 10.102674 10.718163 6.905390 4.964307 5.745294 4.566116 5.004558 2.456233 4.955365 0.000000 8.275781 2.864973 10.514866 10.559302 4.510622 9.032061 9.279552 7.468263 9.741786 11.269985 9.916188 11.133133 8.307073 10.993691 7.461067 7.955664 6.139457 6.738576 5.705596 7.958018 8.366233 3.393378 3.879806 2.151979 3.399357 1.082351 2.150478 12.307566 10.926582 9.930427 12.130675 10.605787 9.984025 11.233827 11.724965 8.794214 5.632896 6.730687 7.749872 8.503876 4.962412 2.497307 4.293226 0.000000 C19H17Cl2N3O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3415609 0.0914625 0.0838149 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= 712 RedAO= T EigKep= 1.31D-06 NBF= 712 NBsUse= 708 1.00D-06 EigRej= 9.13D-07 NBFU= 708 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= 723 722 723 723 723 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 1 1 -2044.94357631608 -2044.94357632 1 2.038246389715e+03 -1.045685442862e+04 3.549241973779e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830043202 LenY= 2829496342 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= 44. Will process 45 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111 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. 13638 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= 760000000 NMat= 132 IRICut= 330 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= 132 NMatS0= 132 NMatT0= 0 NMatD0= 132 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 75.13% of shell-pairs survive, threshold= 0.20 IRatSp=75. There are 135 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 132 vectors produced by pass 0 Test12= 6.33D-14 1.00D-09 XBig12= 3.39D+02 5.79D+00. AX will form 132 AO Fock derivatives at one time. 132 vectors produced by pass 1 Test12= 6.33D-14 1.00D-09 XBig12= 9.32D+01 1.77D+00. 132 vectors produced by pass 2 Test12= 6.33D-14 1.00D-09 XBig12= 9.94D-01 6.39D-02. 132 vectors produced by pass 3 Test12= 6.33D-14 1.00D-09 XBig12= 5.35D-03 5.61D-03. 132 vectors produced by pass 4 Test12= 6.33D-14 1.00D-09 XBig12= 1.45D-05 3.95D-04. 129 vectors produced by pass 5 Test12= 6.33D-14 1.00D-09 XBig12= 2.44D-08 1.04D-05. 57 vectors produced by pass 6 Test12= 6.33D-14 1.00D-09 XBig12= 3.18D-11 4.08D-07. 3 vectors produced by pass 7 Test12= 6.33D-14 1.00D-09 XBig12= 4.08D-14 1.67D-08. InvSVY: IOpt=1 It= 1 EMax= 1.60D-14 Solved reduced A of dimension 849 with 135 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 270.19 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 358.618 -4.899 230.608 -6.406 0.586 221.337 480.565 10.841 362.248 -11.211 0.240 395.679 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT91442.300S Mon Jul 5 20:57:01 2021 1.74287127e+00 -1.04852504e+00 -2.37985527e-01 3.58618170e+02 -4.89889934e+00 2.30607810e+02 -6.40619262e+00 5.85964513e-01 2.21336887e+02 -4.1007 -2.1839 -0.0006 0.0012 0.0016 2.3954 7.4553 27.2499 37.0264 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 7.3624 27.2416 37.0128 39.1852 50.7971 62.2207 66.3544 87.4743 95.5939 107.8766 144.4537 158.7239 172.3172 197.7506 208.3661 231.8325 249.2249 252.1251 305.4245 312.3220 331.7011 343.3772 362.1694 376.7081 387.0274 404.5100 428.0021 441.7983 448.0828 464.6804 476.2434 517.0635 536.8157 583.6116 595.3854 642.6978 658.0008 674.2893 678.2303 690.2165 697.1497 708.7633 719.8374 748.2452 754.0267 794.0076 822.8322 828.8611 852.9896 856.0291 860.0439 870.9174 877.9216 900.6444 903.2388 924.9202 929.8205 955.8595 956.1877 974.2687 986.9690 989.8576 1015.9851 1022.8436 1025.9298 1042.6260 1058.6595 1082.9907 1088.6611 1099.1681 1127.6865 1137.1921 1158.1857 1159.3534 1164.0157 1174.6320 1195.4022 1198.2951 1216.4919 1227.6879 1235.4353 1251.3158 1254.9217 1293.5300 1304.7310 1308.2187 1318.2289 1323.4189 1340.4208 1351.7061 1360.9113 1372.3147 1387.4503 1399.0687 1414.4133 1419.2066 1436.5118 1461.9498 1472.7566 1485.4779 1498.1208 1506.0324 1515.8224 1521.0114 1541.8278 1602.8547 1619.2578 1625.5258 1642.6768 3008.9852 3027.2478 3046.1705 3095.3767 3099.1620 3109.7714 3115.3593 3160.1726 3188.5248 3192.3518 3196.0875 3203.4703 3204.5210 3207.2335 3211.0997 3245.3816 3249.4164 9.9523 7.2662 4.1755 5.3152 6.7221 4.9705 4.7821 4.6675 6.0551 9.1155 3.6296 6.2899 7.6366 5.6763 6.6958 2.1237 8.4311 1.7170 6.1300 6.9055 5.8048 6.6396 3.2801 5.4460 5.0387 2.6391 3.1038 4.9545 5.0531 3.7189 3.6541 2.8532 5.2737 5.8374 5.2751 6.3958 6.0882 4.8963 3.6116 3.4309 4.3531 5.9671 3.9688 5.3821 4.1793 6.4974 3.7956 1.4203 1.4536 1.6126 3.1577 1.4301 2.2374 1.4013 1.7774 3.5808 3.1249 1.3191 1.2770 6.4288 1.3142 1.3654 5.4135 3.4054 5.0034 5.1755 3.5269 2.5780 3.6458 3.0324 2.0088 1.3190 1.4738 1.8870 1.9863 2.7926 1.4289 2.3013 2.5931 1.7278 2.5606 3.7201 1.2841 1.7643 2.9449 5.3012 3.6750 1.6558 1.8346 1.8060 1.2193 1.5024 2.8597 1.3885 1.3152 3.2136 3.0434 3.6436 1.1562 1.0512 1.0506 2.6237 2.4074 1.0907 3.8633 7.2533 6.6768 6.3496 6.3296 1.0692 1.0369 1.0868 1.1001 1.0584 1.0982 1.1020 1.1086 1.0888 1.0893 1.0893 1.0950 1.0954 1.0925 1.0941 1.0958 1.1017 0.0003 0.0032 0.0034 0.0048 0.0102 0.0113 0.0124 0.0210 0.0326 0.0625 0.0446 0.0934 0.1336 0.1308 0.1713 0.0672 0.3085 0.0643 0.3369 0.3969 0.3763 0.4612 0.2535 0.4553 0.4447 0.2544 0.3350 0.5698 0.5978 0.4731 0.4883 0.4494 0.8954 1.1714 1.1017 1.5565 1.5531 1.3116 0.9788 0.9630 1.2465 1.7661 1.2117 1.7754 1.4000 2.4135 1.5141 0.5749 0.6231 0.6962 1.3761 0.6391 1.0160 0.6697 0.8543 1.8049 1.5918 0.7101 0.6879 3.5953 0.7543 0.7883 3.2923 2.0991 3.1028 3.3148 2.3289 1.7815 2.5458 2.1585 1.5051 1.0050 1.1648 1.4944 1.5857 2.2702 1.2030 1.9470 2.2609 1.5343 2.3027 3.4320 1.1915 1.7393 2.9536 5.3455 3.7626 1.7086 1.9421 1.9442 1.3305 1.6670 3.2435 1.6013 1.5502 3.8136 3.7002 4.5883 1.4776 1.3666 1.3892 3.5061 3.2590 1.4867 5.4110 10.9792 10.3145 9.8852 10.0630 5.7038 5.5989 5.9419 6.2102 5.9893 6.2571 6.3013 6.5231 6.5218 6.5408 6.5561 6.6204 6.6278 6.6211 6.6468 6.7999 6.8537 0.2882 0.3367 0.1585 1.0200 0.6728 0.4815 0.1340 1.5157 0.2400 0.1602 2.7299 0.1597 0.9921 0.6751 2.4371 0.6204 0.5725 0.2383 0.2700 0.4034 0.6173 4.9141 0.5221 2.2848 4.2756 6.9202 0.1946 0.0491 9.4671 2.9818 7.2336 18.2935 2.8902 20.1974 19.2957 4.1229 15.8623 14.2247 2.3713 28.2237 4.7718 11.2810 6.6555 1.0247 8.0988 11.0175 1.6500 17.5653 38.3564 4.7134 15.6593 19.8707 27.5599 5.6848 22.9521 57.5478 22.3905 0.1136 4.7125 6.6674 0.8641 3.3468 6.8818 28.5240 26.6246 130.4282 33.0029 56.9053 89.9778 63.6008 3.2380 10.4886 5.3910 21.1085 54.7108 138.3096 32.0918 68.3386 28.7039 30.5681 42.4988 410.1200 19.3840 45.9436 35.3738 22.0582 9.6912 0.5760 2.5745 5.8262 1.2766 7.4046 3.7560 1.8944 15.5475 16.2072 1.5904 19.5945 12.5235 3.9572 9.3107 212.1084 111.8673 4.3009 68.8749 32.6243 12.7161 79.1133 39.5109 28.5571 18.9484 31.4198 25.5365 7.6882 27.3738 34.8285 0.9779 2.8855 6.5540 0.9328 0.3243 5.6254 0.5825 1.7685 0.9002 2.1565 -0.15 0.04 -0.04 0.02 -0.16 0.25 -0.06 -0.03 0.09 0.08 -0.05 0.07 -0.00 0.15 -0.21 0.04 0.02 -0.05 0.10 0.01 -0.06 0.06 0.05 -0.16 0.01 -0.02 0.04 -0.03 -0.06 0.15 0.00 -0.01 0.01 0.06 -0.07 0.13 0.00 0.01 -0.03 -0.06 -0.05 0.15 -0.07 0.04 -0.06 0.07 0.02 -0.05 -0.07 0.09 -0.12 0.07 0.06 -0.11 -0.00 0.10 -0.15 0.01 0.04 -0.11 0.11 0.03 -0.13 -0.00 0.07 -0.10 -0.04 0.06 -0.07 0.04 0.01 -0.03 -0.03 -0.01 0.04 0.04 -0.06 0.07 0.01 -0.07 0.11 -0.04 -0.07 0.20 0.02 -0.02 0.04 -0.05 0.01 0.01 0.09 -0.10 0.17 0.07 -0.06 0.11 -0.05 -0.04 0.10 -0.12 -0.04 0.16 -0.04 -0.07 0.19 0.13 -0.01 -0.02 -0.12 0.11 -0.15 0.12 0.07 -0.13 -0.05 0.05 -0.12 0.16 0.03 -0.15 -0.06 0.10 -0.12 0.06 0.02 -0.06 -0.06 -0.02 0.07 0.07 -0.10 0.13 -0.04 -0.11 -0.02 0.15 0.14 0.09 -0.04 0.04 0.04 -0.04 0.05 0.04 -0.01 -0.05 -0.06 -0.13 -0.05 -0.01 -0.10 -0.02 0.00 -0.13 -0.09 -0.09 -0.06 0.00 0.02 0.05 0.13 0.06 -0.13 -0.02 0.03 0.02 0.09 0.05 -0.02 -0.05 -0.01 0.21 0.10 0.07 -0.02 -0.09 -0.03 0.00 -0.05 -0.02 -0.00 -0.10 -0.05 0.01 -0.06 -0.04 0.01 -0.07 -0.05 -0.15 -0.09 -0.06 -0.10 -0.05 -0.05 0.02 -0.01 -0.04 0.07 0.01 -0.09 0.00 0.03 0.03 0.11 0.05 -0.05 0.04 0.07 0.07 0.10 0.09 0.03 0.02 0.24 0.07 -0.15 0.01 0.08 -0.18 -0.04 0.02 0.00 0.14 0.05 0.06 0.05 0.07 0.23 -0.00 0.06 0.23 0.13 0.07 0.27 0.17 0.08 0.00 -0.02 -0.00 -0.01 -0.11 -0.07 0.02 -0.04 -0.04 -0.18 -0.12 -0.08 -0.08 -0.03 -0.05 0.09 -0.02 -0.15 -0.04 0.02 0.07 0.16 0.06 -0.09 0.03 0.10 0.13 0.02 -0.06 0.00 -0.10 -0.03 -0.02 0.00 -0.05 -0.01 -0.01 -0.02 -0.01 -0.04 0.05 0.02 0.04 -0.01 -0.01 0.08 0.03 0.00 0.05 0.03 -0.07 0.00 -0.03 -0.00 0.11 0.07 -0.01 0.01 -0.04 0.01 -0.02 -0.02 -0.01 -0.01 -0.02 0.01 0.35 0.04 0.07 -0.01 -0.02 0.01 -0.03 0.02 0.01 -0.02 0.01 0.02 -0.05 0.05 0.02 -0.04 0.04 0.02 0.02 -0.00 -0.05 0.09 0.04 -0.04 -0.05 0.03 0.02 -0.07 0.03 0.04 -0.04 0.02 0.00 -0.09 0.01 0.03 -0.06 -0.00 -0.01 -0.08 -0.01 0.00 0.08 0.25 -0.05 0.03 -0.05 0.04 -0.02 -0.05 0.01 -0.06 -0.04 -0.11 -0.06 -0.07 0.08 0.37 -0.13 0.12 0.45 0.10 0.07 0.41 0.12 0.06 -0.03 0.02 0.01 -0.02 0.01 0.02 -0.06 0.07 0.03 -0.02 -0.02 -0.07 0.12 0.07 -0.04 -0.08 0.04 0.05 -0.03 0.02 -0.01 -0.11 0.01 0.04 -0.05 -0.01 -0.03 -0.03 0.11 -0.02 -0.01 -0.00 0.02 0.01 -0.00 -0.01 0.05 -0.06 -0.05 -0.00 0.05 -0.04 -0.01 -0.04 -0.01 -0.15 -0.14 -0.05 -0.05 -0.07 0.20 0.03 -0.01 -0.05 0.06 0.01 0.03 0.04 0.02 -0.09 0.03 -0.08 0.01 0.02 -0.01 -0.04 0.15 0.00 0.12 -0.01 0.05 -0.03 0.04 -0.04 -0.05 -0.01 0.06 -0.03 0.03 -0.03 -0.04 0.00 0.03 -0.04 0.05 0.00 0.14 -0.17 -0.16 0.08 -0.00 0.04 -0.03 0.01 0.01 0.08 -0.02 0.06 -0.12 0.01 -0.00 0.09 -0.02 0.05 -0.11 -0.00 0.02 0.00 0.04 0.09 0.02 0.01 0.03 -0.19 0.14 0.06 -0.07 0.02 -0.13 -0.04 0.01 -0.12 0.07 0.16 -0.07 0.14 0.17 0.07 0.14 0.18 0.01 0.15 0.06 -0.08 -0.06 -0.03 0.11 -0.02 0.05 -0.05 -0.05 0.16 0.08 0.20 -0.27 -0.24 0.08 0.02 -0.00 0.15 -0.03 0.09 -0.21 0.02 -0.03 0.18 -0.03 0.06 -0.18 -0.14 0.16 0.01 0.06 0.01 -0.00 -0.04 -0.10 -0.04 -0.04 -0.02 -0.02 -0.01 -0.09 -0.03 0.03 0.01 0.06 0.04 0.08 0.10 0.05 0.16 0.14 -0.03 -0.04 -0.02 0.02 -0.00 -0.06 0.02 -0.05 0.02 -0.05 -0.02 -0.05 -0.05 -0.02 -0.02 0.17 -0.02 -0.07 -0.07 0.04 -0.01 -0.00 -0.10 -0.03 -0.06 0.01 -0.01 0.01 -0.14 -0.04 -0.01 -0.08 -0.03 0.04 0.06 0.09 0.05 0.17 0.14 0.00 -0.07 -0.03 0.01 -0.04 -0.15 0.01 -0.08 0.10 0.02 -0.01 -0.15 0.03 -0.06 0.11 0.04 -0.02 -0.02 0.00 0.09 -0.08 0.04 -0.07 0.02 0.04 -0.07 0.02 -0.07 -0.02 -0.10 -0.07 -0.03 -0.02 0.18 -0.11 -0.04 0.23 -0.02 -0.07 0.20 0.05 -0.09 0.01 -0.14 -0.04 -0.08 0.06 -0.01 0.05 -0.20 -0.05 0.03 0.03 0.07 0.06 0.24 0.18 0.00 -0.04 -0.24 0.01 -0.11 0.19 0.03 0.02 -0.23 0.04 -0.07 0.21 0.01 0.01 -0.00 -0.07 -0.01 -0.05 0.04 -0.02 -0.00 0.04 0.03 0.02 -0.00 0.10 -0.02 0.00 -0.05 0.04 -0.03 -0.12 0.01 -0.02 -0.16 0.03 0.04 -0.01 0.01 0.04 -0.00 -0.02 0.02 -0.02 0.04 0.06 0.05 -0.00 0.04 0.00 -0.00 0.01 -0.01 -0.09 0.01 0.03 -0.00 0.05 0.00 -0.00 -0.01 0.09 -0.01 0.03 0.04 -0.01 -0.00 0.09 -0.01 0.01 -0.08 0.05 -0.04 -0.18 0.00 -0.01 0.07 0.01 -0.08 0.11 -0.15 0.05 -0.02 0.20 -0.09 0.09 -0.16 0.04 -0.04 0.20 -0.04 0.01 0.00 0.04 -0.04 0.00 0.00 -0.00 0.03 0.03 -0.03 0.04 0.07 0.09 0.03 0.09 0.07 -0.05 0.01 0.02 -0.11 -0.01 -0.05 -0.10 0.01 0.01 -0.10 0.06 -0.02 -0.00 -0.03 0.11 -0.01 0.04 0.04 -0.01 0.03 -0.04 0.07 -0.06 -0.25 -0.02 -0.11 0.16 -0.26 0.11 -0.06 0.34 -0.15 0.13 -0.29 0.08 -0.11 0.34 0.08 -0.11 -0.06 0.00 -0.00 -0.03 -0.02 0.05 0.01 0.04 -0.08 -0.05 0.00 -0.00 -0.01 -0.01 0.03 -0.04 -0.07 0.10 -0.00 -0.02 0.08 0.11 0.01 0.01 -0.05 -0.03 -0.03 0.08 0.02 0.05 -0.11 -0.05 -0.15 0.03 -0.00 0.02 -0.04 -0.04 -0.01 0.24 0.03 -0.03 -0.04 -0.04 0.09 -0.02 0.03 -0.03 -0.04 -0.04 0.08 -0.02 0.00 0.02 -0.02 0.02 0.03 0.03 -0.08 0.12 0.09 0.01 -0.01 -0.00 -0.01 0.02 -0.09 0.03 -0.04 0.11 -0.02 0.02 -0.10 0.03 -0.04 0.11 0.01 -0.01 -0.00 -0.03 0.01 0.04 0.01 0.05 -0.18 0.09 0.09 -0.09 -0.05 -0.26 -0.03 -0.12 -0.18 0.12 -0.04 -0.04 0.27 -0.03 0.10 0.27 -0.04 -0.08 0.29 -0.06 0.12 -0.02 0.06 -0.08 -0.04 -0.06 0.13 -0.01 0.08 -0.02 0.02 -0.13 0.17 0.14 -0.03 0.03 -0.15 0.05 -0.07 0.19 -0.03 0.04 -0.17 0.05 -0.06 0.19 0.02 0.03 -0.02 -0.06 0.00 -0.03 0.04 0.03 0.00 0.05 -0.03 -0.02 -0.01 0.06 -0.00 -0.06 -0.07 -0.04 -0.03 0.18 0.09 -0.06 -0.03 -0.01 0.03 -0.04 -0.04 0.04 -0.01 0.04 -0.04 -0.04 -0.06 0.15 0.03 0.03 0.06 -0.09 -0.04 -0.04 0.00 0.00 0.03 -0.01 -0.02 0.09 -0.17 -0.05 -0.00 0.05 0.00 0.07 -0.13 -0.03 0.01 0.00 -0.01 -0.07 -0.18 -0.09 -0.03 0.19 0.09 -0.01 0.04 0.05 -0.02 0.03 0.08 -0.00 0.03 0.03 -0.03 0.02 0.07 -0.01 0.02 0.02 -0.03 0.01 0.03 0.04 -0.07 0.11 -0.07 -0.01 -0.07 -0.01 -0.03 -0.06 0.18 0.11 0.14 0.27 0.01 -0.05 -0.03 0.06 -0.08 -0.13 -0.02 0.01 -0.03 -0.02 0.04 0.12 -0.25 -0.07 -0.03 0.12 0.02 0.09 -0.18 -0.04 -0.09 -0.35 -0.18 -0.01 0.36 0.18 -0.03 0.04 0.09 0.01 0.04 0.01 -0.04 0.01 0.09 -0.01 0.01 -0.01 0.02 -0.11 -0.01 -0.04 -0.00 -0.03 0.01 0.02 0.02 0.01 0.02 0.02 -0.02 0.03 -0.02 -0.04 -0.03 -0.06 -0.04 -0.19 -0.14 0.01 0.34 0.10 -0.01 -0.03 0.00 0.04 0.03 0.04 -0.06 -0.04 -0.00 0.14 0.11 0.05 0.02 -0.07 -0.01 -0.02 0.03 -0.06 -0.00 -0.04 -0.01 0.05 -0.12 -0.02 -0.02 0.00 -0.01 0.04 -0.10 -0.02 -0.00 -0.02 -0.01 -0.00 0.28 0.08 -0.01 0.04 -0.04 -0.01 0.01 0.03 -0.01 0.01 0.04 -0.00 0.00 0.05 -0.02 0.00 0.04 -0.00 -0.01 0.04 -0.02 -0.00 0.03 0.02 -0.02 0.12 -0.05 -0.05 0.07 -0.14 -0.06 -0.01 0.18 0.23 0.17 0.29 0.09 -0.06 0.00 0.08 -0.16 -0.11 -0.03 -0.07 0.02 0.05 -0.04 0.08 -0.16 -0.03 -0.04 0.03 -0.01 0.07 -0.14 -0.03 0.00 0.44 0.17 -0.00 -0.02 -0.08 -0.02 0.01 0.04 0.01 0.00 0.05 -0.03 0.01 0.03 -0.00 -0.01 0.04 0.12 -0.02 0.07 0.01 -0.08 0.22 0.08 0.05 -0.01 -0.03 -0.03 -0.03 -0.00 -0.04 0.10 -0.02 -0.03 -0.03 -0.03 0.01 -0.01 -0.01 0.04 0.03 0.02 -0.02 -0.00 0.03 0.01 -0.02 -0.00 -0.01 -0.03 0.03 0.01 -0.02 0.03 -0.06 0.06 -0.02 0.02 -0.00 0.02 -0.00 0.09 0.02 -0.11 0.06 -0.01 0.04 0.13 0.01 -0.10 0.10 -0.01 -0.01 0.12 -0.01 -0.00 -0.00 -0.02 0.05 0.03 -0.05 0.06 -0.15 -0.09 0.09 -0.29 -0.07 0.07 -0.21 -0.10 0.09 -0.30 -0.07 0.06 -0.21 -0.07 0.05 -0.18 0.05 -0.03 -0.04 -0.02 0.00 -0.06 0.01 0.02 -0.03 0.02 0.05 -0.01 0.07 -0.02 -0.03 -0.04 0.06 0.01 -0.02 0.02 -0.00 -0.06 -0.01 -0.01 0.02 -0.16 0.04 -0.02 0.09 0.15 0.02 -0.16 0.09 0.01 -0.01 -0.00 -0.03 0.08 0.05 -0.09 0.10 -0.30 -0.05 0.05 -0.16 -0.10 0.10 -0.32 -0.06 0.05 -0.17 0.01 0.04 -0.05 0.00 0.04 0.03 -0.07 -0.04 0.02 0.06 -0.02 0.01 -0.04 -0.10 0.06 0.05 0.03 0.00 0.02 0.02 0.00 0.04 -0.04 0.02 -0.00 -0.01 -0.03 0.04 0.01 0.11 0.05 0.01 -0.03 0.24 0.09 0.10 -0.03 0.03 -0.05 0.01 0.00 -0.03 0.00 -0.00 -0.04 -0.09 0.08 -0.03 0.01 -0.05 -0.02 -0.11 0.08 0.00 -0.04 -0.02 0.01 0.06 -0.01 0.01 0.01 -0.02 0.01 -0.05 -0.07 0.00 -0.04 -0.07 -0.03 -0.08 -0.04 -0.01 -0.02 -0.04 -0.04 -0.07 -0.01 -0.02 -0.04 -0.01 -0.02 -0.01 -0.02 0.27 0.06 -0.02 -0.06 0.07 0.02 -0.03 0.30 0.23 0.29 0.44 0.07 -0.06 0.08 0.01 -0.26 -0.21 -0.05 -0.02 0.15 0.04 0.09 -0.12 0.11 -0.04 0.06 -0.10 -0.00 -0.15 0.12 0.02 0.08 -0.02 0.01 -0.01 -0.03 0.01 -0.02 -0.09 -0.02 -0.10 -0.05 0.01 0.00 -0.03 -0.05 -0.08 0.01 -0.01 0.04 0.13 0.02 0.02 -0.04 -0.01 -0.03 -0.15 0.02 0.07 -0.03 0.07 0.05 0.02 0.05 -0.14 -0.17 -0.08 -0.09 -0.09 -0.04 -0.10 0.15 -0.01 0.02 -0.07 0.02 0.01 -0.10 -0.00 -0.11 -0.09 0.00 0.01 -0.06 0.02 0.03 -0.03 -0.01 0.07 -0.13 -0.10 0.07 -0.04 0.01 -0.04 0.15 0.02 0.08 -0.06 0.02 -0.07 0.23 0.05 0.03 0.05 0.04 -0.15 -0.02 -0.06 -0.06 0.10 -0.01 0.05 0.04 0.01 0.03 0.04 -0.00 0.06 0.02 -0.00 0.02 0.03 -0.02 0.05 0.01 -0.02 0.04 0.01 -0.02 -0.01 -0.08 0.02 -0.17 -0.01 0.04 -0.17 -0.08 -0.00 0.01 -0.09 0.01 -0.04 -0.02 0.01 0.08 -0.16 -0.11 0.11 -0.21 -0.13 0.10 -0.04 -0.16 -0.07 0.24 0.05 0.11 -0.13 0.00 -0.16 0.37 0.09 -0.20 -0.04 -0.08 -0.01 0.20 0.03 0.03 0.05 0.00 0.08 0.02 0.00 0.00 0.03 -0.02 0.06 0.00 -0.02 0.24 0.09 -0.16 -0.02 0.02 0.02 -0.12 -0.07 0.03 0.05 0.09 0.10 -0.01 -0.03 0.03 -0.05 -0.01 0.15 0.06 -0.07 0.11 -0.02 0.03 -0.06 -0.04 0.03 0.01 -0.09 -0.02 0.04 -0.08 -0.05 0.16 -0.12 -0.03 0.05 -0.01 0.05 -0.12 -0.01 -0.03 0.10 0.02 0.08 -0.09 0.01 -0.07 -0.13 0.00 0.09 -0.01 0.02 -0.14 -0.08 -0.00 -0.02 -0.02 -0.10 0.05 0.05 0.08 -0.05 -0.02 -0.02 -0.02 0.01 -0.02 -0.02 0.00 -0.03 -0.01 -0.00 -0.02 -0.01 -0.01 -0.03 0.01 -0.02 -0.03 0.00 -0.01 -0.09 0.04 0.02 -0.07 -0.03 0.30 -0.15 -0.18 0.13 -0.13 -0.17 -0.04 -0.28 0.03 0.11 0.00 -0.10 0.11 0.01 0.03 0.11 0.02 -0.03 0.13 0.01 -0.13 -0.17 0.01 0.15 0.03 0.03 -0.27 -0.09 -0.19 0.10 0.06 0.17 -0.10 -0.09 -0.02 -0.02 0.00 -0.04 -0.01 -0.00 -0.01 -0.01 -0.01 -0.04 0.01 -0.03 0.06 -0.10 0.04 0.07 0.00 -0.02 -0.15 -0.15 0.02 0.02 -0.02 0.05 0.03 0.02 0.00 -0.00 0.08 -0.07 -0.07 0.10 -0.06 -0.04 -0.04 -0.01 -0.03 0.01 0.01 -0.05 -0.06 0.03 0.02 0.08 -0.07 0.01 -0.02 0.05 -0.06 0.09 0.03 0.09 -0.11 -0.14 -0.08 0.18 0.07 0.00 0.00 0.02 -0.13 0.28 0.08 0.03 -0.05 0.01 -0.02 0.10 0.04 0.01 0.01 -0.04 -0.09 0.03 -0.02 0.01 -0.02 -0.01 0.03 -0.03 0.01 0.03 -0.03 -0.02 0.04 -0.04 0.02 0.03 -0.03 -0.01 0.04 -0.04 0.00 -0.09 -0.01 0.11 0.02 0.05 -0.15 0.04 0.16 -0.05 0.03 -0.02 0.09 0.02 0.01 0.01 0.15 -0.20 -0.27 0.03 -0.22 -0.17 0.23 0.06 -0.14 0.05 -0.07 0.00 -0.17 0.36 0.09 0.09 -0.21 -0.02 0.06 -0.01 -0.04 -0.14 0.02 0.00 0.02 -0.03 0.00 0.03 -0.03 -0.03 0.03 -0.04 0.03 0.02 -0.03 -0.02 0.02 0.00 0.01 0.08 0.13 -0.00 0.19 0.10 -0.01 0.02 -0.02 -0.03 -0.00 0.01 -0.07 -0.05 -0.14 0.00 0.02 -0.09 0.03 -0.01 0.06 -0.00 0.07 -0.03 0.01 0.09 0.01 -0.04 -0.03 -0.08 0.04 0.02 -0.02 -0.05 0.05 -0.03 0.02 -0.04 0.04 0.07 -0.04 0.09 0.02 0.02 0.04 0.03 -0.11 0.23 0.02 -0.02 0.14 0.02 -0.06 0.15 -0.00 -0.06 -0.05 -0.01 0.04 0.03 0.02 -0.08 -0.13 -0.06 -0.07 -0.15 -0.03 -0.08 -0.14 -0.04 -0.03 -0.16 0.02 -0.08 -0.13 0.01 -0.04 -0.13 0.03 0.13 -0.05 -0.11 -0.07 -0.02 0.10 -0.07 -0.13 0.02 -0.00 -0.01 -0.09 0.00 -0.03 -0.01 -0.13 0.15 0.27 0.11 0.08 0.06 -0.23 -0.08 -0.03 0.05 0.01 0.03 -0.14 0.29 0.03 0.01 0.15 0.01 -0.12 -0.06 -0.02 0.10 0.09 0.03 -0.07 -0.16 -0.05 -0.11 -0.14 -0.06 -0.01 -0.16 0.03 -0.09 -0.11 0.01 -0.01 0.00 -0.01 -0.03 0.05 0.03 0.01 -0.02 0.05 0.08 0.05 0.08 -0.00 -0.01 -0.01 0.01 0.03 -0.04 -0.03 0.04 -0.04 -0.00 -0.01 0.01 0.04 0.03 0.04 -0.00 -0.02 0.02 0.02 0.06 -0.01 -0.03 -0.01 0.04 0.04 0.01 0.01 0.02 -0.03 -0.07 0.04 -0.03 -0.02 0.05 -0.01 0.00 0.05 -0.06 -0.03 0.05 -0.03 -0.01 0.02 -0.03 -0.02 0.03 0.01 -0.02 -0.04 0.01 -0.00 -0.03 -0.03 -0.00 -0.04 -0.03 -0.00 -0.04 -0.02 0.00 -0.05 -0.03 -0.01 -0.05 -0.02 -0.00 -0.06 -0.01 -0.00 0.01 -0.02 -0.00 0.02 0.06 -0.05 0.02 0.12 -0.00 -0.04 -0.10 -0.02 -0.13 0.02 0.08 -0.13 0.06 0.36 0.50 -0.23 -0.18 -0.29 0.06 -0.50 0.04 -0.00 0.00 0.06 -0.08 -0.03 0.06 -0.01 -0.02 0.06 0.00 -0.01 -0.07 0.01 0.01 -0.05 -0.03 -0.00 -0.05 -0.02 0.01 -0.04 -0.03 -0.02 -0.05 -0.03 -0.00 0.21 0.12 0.01 0.01 0.01 -0.06 -0.02 0.00 0.05 -0.21 -0.12 -0.01 -0.05 0.12 -0.28 0.04 0.05 -0.02 0.00 0.04 -0.02 0.02 -0.03 0.02 -0.10 -0.07 0.07 -0.01 0.03 0.05 0.02 0.00 -0.03 0.01 0.04 0.05 -0.10 -0.09 0.11 0.00 0.02 -0.04 -0.08 -0.13 0.07 -0.04 -0.03 0.10 -0.09 -0.17 0.04 -0.02 0.01 0.06 -0.05 -0.05 -0.00 0.06 0.01 0.00 -0.01 -0.01 0.00 -0.04 0.05 -0.18 -0.02 0.03 -0.09 -0.01 0.01 -0.08 0.03 -0.04 0.10 0.03 -0.05 0.11 0.05 -0.06 0.15 -0.02 0.03 0.08 0.06 -0.08 -0.16 0.07 0.13 -0.00 0.00 0.22 0.14 0.20 -0.05 -0.02 -0.05 0.07 0.10 0.18 -0.11 -0.10 -0.11 0.09 -0.24 -0.02 0.01 0.14 -0.10 -0.20 0.01 -0.03 0.09 0.07 0.09 0.01 0.01 -0.04 -0.03 0.01 -0.03 0.04 -0.14 -0.01 0.03 -0.13 0.03 -0.05 0.15 0.04 -0.06 0.17 -0.01 -0.01 -0.02 0.01 -0.05 -0.02 -0.01 0.02 -0.00 -0.03 -0.04 -0.04 -0.01 -0.03 0.05 -0.00 -0.01 0.02 0.02 -0.02 0.02 0.01 -0.00 -0.00 -0.02 -0.02 -0.03 0.01 0.02 0.03 -0.01 -0.03 -0.00 0.06 0.01 0.02 -0.03 0.00 -0.03 -0.01 0.03 0.01 -0.03 0.03 -0.01 -0.05 0.01 -0.02 -0.04 0.05 0.01 -0.05 0.01 -0.00 -0.03 0.01 0.01 -0.01 -0.01 0.01 0.02 -0.01 0.00 0.02 0.02 0.02 0.04 0.02 0.01 0.02 0.02 0.01 0.04 0.04 -0.00 0.03 0.04 -0.01 0.05 0.03 -0.01 0.01 0.02 0.06 -0.00 -0.04 0.01 -0.00 -0.06 -0.01 0.07 0.06 0.07 0.13 -0.03 -0.01 -0.19 0.16 0.49 0.48 -0.12 -0.09 -0.38 0.04 -0.41 -0.05 -0.01 -0.03 -0.05 0.07 0.02 -0.06 -0.01 0.00 -0.02 -0.01 0.01 0.04 -0.01 -0.00 0.05 0.01 0.01 0.03 0.02 0.02 0.05 0.04 -0.00 0.02 0.05 -0.01 -0.00 -0.00 0.06 0.07 0.07 0.04 -0.06 -0.01 -0.06 -0.07 -0.14 -0.14 0.04 0.13 -0.01 -0.06 0.16 0.17 -0.00 0.07 0.12 -0.08 -0.01 -0.09 -0.04 -0.02 -0.09 -0.01 -0.03 0.02 -0.03 0.01 -0.01 0.09 -0.07 -0.01 0.01 -0.02 -0.01 0.03 -0.05 -0.01 0.06 -0.04 0.02 0.05 -0.04 -0.02 0.08 -0.07 -0.01 0.04 0.03 -0.02 0.06 0.05 -0.00 -0.12 0.15 0.07 0.00 -0.06 -0.06 0.04 0.03 0.09 -0.04 0.03 0.09 0.08 -0.05 0.04 -0.12 -0.05 -0.06 -0.01 -0.11 -0.09 -0.09 -0.10 -0.13 -0.04 -0.02 0.08 -0.03 0.00 -0.03 0.07 -0.08 -0.01 0.13 0.03 0.11 0.25 -0.13 -0.08 -0.00 -0.06 0.10 0.17 -0.12 -0.05 -0.04 0.01 -0.14 0.08 -0.06 -0.01 0.08 -0.12 -0.04 0.01 0.06 -0.01 -0.20 0.23 0.09 0.06 -0.19 -0.16 -0.08 0.08 0.15 0.19 -0.05 0.05 -0.23 -0.05 -0.06 0.02 -0.18 -0.14 -0.02 -0.03 0.06 -0.11 -0.01 -0.04 0.07 0.01 -0.06 0.14 -0.04 -0.07 0.01 -0.12 0.01 -0.08 0.10 0.15 -0.01 0.03 0.11 -0.09 0.02 -0.09 0.08 0.05 -0.07 0.05 -0.08 -0.02 -0.00 0.06 0.00 0.11 -0.09 -0.03 0.03 0.07 -0.00 0.04 -0.08 -0.01 0.04 0.06 0.02 -0.01 0.04 0.01 0.05 0.00 0.01 0.01 -0.04 0.02 0.01 -0.06 0.01 -0.15 0.11 0.05 -0.00 -0.04 -0.05 -0.04 -0.01 -0.20 -0.00 -0.01 -0.18 -0.09 0.06 -0.14 0.08 -0.00 0.11 0.02 0.06 0.15 0.06 0.03 0.25 0.05 -0.10 0.00 -0.07 0.14 -0.03 0.11 -0.02 -0.00 0.13 -0.14 -0.01 0.09 -0.08 -0.03 0.03 -0.08 0.01 0.07 -0.10 -0.03 0.02 -0.07 -0.05 -0.03 0.03 -0.01 0.08 -0.01 0.03 0.03 -0.07 0.01 -0.25 0.19 0.06 0.07 -0.13 -0.14 -0.00 -0.02 -0.25 -0.19 0.07 -0.19 0.18 -0.01 0.12 0.01 0.08 0.20 0.02 0.02 -0.09 -0.03 -0.07 0.02 0.21 0.09 0.08 -0.04 -0.11 0.03 -0.04 -0.04 -0.08 -0.03 0.09 0.06 -0.03 0.07 0.03 -0.05 -0.00 -0.05 0.04 -0.04 0.10 0.09 -0.05 0.02 0.01 0.06 0.02 -0.02 -0.08 0.03 0.01 -0.05 0.07 0.04 -0.06 -0.10 -0.09 -0.01 -0.01 0.02 0.01 0.06 -0.10 0.03 -0.04 0.01 0.05 0.00 -0.04 -0.01 -0.06 -0.06 0.09 0.02 -0.03 -0.02 -0.04 -0.01 -0.10 0.10 0.06 -0.10 0.09 -0.05 -0.04 0.13 0.08 0.06 -0.06 -0.03 0.13 -0.05 0.02 0.15 -0.14 0.13 -0.12 -0.05 -0.01 0.04 -0.11 0.09 0.16 0.04 -0.07 -0.07 -0.05 -0.03 -0.12 0.09 0.11 -0.06 -0.34 -0.16 -0.16 -0.11 0.18 0.02 -0.02 0.04 0.02 0.08 -0.13 0.05 -0.05 0.07 0.10 -0.02 -0.08 0.13 0.04 -0.02 -0.08 -0.08 0.11 -0.17 0.10 -0.13 -0.06 0.20 0.17 0.07 -0.10 -0.07 0.20 -0.05 -0.05 0.01 -0.09 0.13 -0.04 -0.06 0.09 0.03 0.04 0.08 0.06 0.09 -0.07 0.04 0.14 0.04 0.18 0.00 -0.04 0.15 -0.03 -0.02 -0.06 0.00 0.02 -0.05 0.01 0.03 -0.02 -0.01 -0.07 -0.05 0.05 -0.04 -0.01 0.01 0.09 -0.19 -0.07 0.00 -0.03 -0.02 0.04 -0.11 -0.06 0.00 -0.17 -0.05 -0.03 0.00 0.06 -0.14 0.08 0.08 -0.11 0.08 0.11 0.06 0.11 0.02 -0.08 -0.03 -0.03 -0.07 0.09 -0.02 -0.03 0.08 -0.05 -0.02 0.01 -0.07 -0.01 0.00 0.04 0.00 -0.07 0.03 0.06 -0.09 0.07 0.05 -0.05 -0.06 0.06 -0.14 0.28 -0.26 -0.14 0.02 -0.07 -0.10 -0.09 -0.17 0.03 0.07 0.03 -0.03 -0.09 -0.07 -0.02 -0.01 0.05 -0.03 0.04 -0.01 -0.25 -0.10 0.00 0.05 0.11 -0.24 0.16 0.12 0.12 0.15 0.05 -0.15 -0.13 -0.06 -0.03 0.08 -0.08 0.06 0.03 -0.12 -0.09 -0.00 0.07 -0.00 -0.05 0.05 0.03 0.01 0.08 -0.04 -0.02 0.02 -0.02 -0.11 -0.07 0.03 0.06 0.02 0.01 0.00 -0.09 0.03 0.10 -0.03 -0.04 0.09 -0.05 -0.01 -0.04 0.01 -0.00 -0.04 -0.02 0.01 -0.05 -0.09 -0.07 -0.08 0.06 0.06 0.07 -0.07 0.01 -0.04 -0.00 -0.01 -0.03 0.13 0.01 -0.01 0.03 0.02 -0.01 -0.00 -0.00 0.02 -0.01 0.00 0.04 -0.02 0.00 0.02 -0.03 0.05 0.05 -0.01 -0.07 -0.01 -0.01 -0.00 -0.07 0.01 0.02 -0.08 0.02 -0.03 -0.03 0.05 0.05 0.02 -0.02 -0.01 0.06 -0.00 0.01 0.08 -0.04 0.00 -0.04 -0.08 0.04 -0.13 0.37 -0.32 -0.23 0.02 0.09 0.16 0.03 0.11 0.14 -0.20 -0.08 -0.03 0.34 0.12 0.19 0.18 -0.14 -0.21 0.15 0.04 0.00 0.02 -0.03 0.02 -0.03 0.00 0.08 -0.02 0.11 0.06 0.01 -0.13 -0.05 -0.01 0.05 -0.12 0.01 -0.11 -0.04 0.08 0.12 0.02 -0.03 -0.03 0.10 0.01 0.00 -0.00 -0.01 0.11 -0.05 -0.03 0.02 -0.07 -0.06 0.18 0.12 0.05 -0.13 0.11 -0.14 -0.04 -0.05 0.04 0.00 -0.05 0.04 -0.03 0.04 -0.03 0.07 0.06 -0.01 0.04 -0.06 -0.09 0.09 0.11 -0.05 0.08 0.05 -0.06 -0.05 0.08 0.03 -0.00 -0.04 0.08 -0.05 -0.01 0.01 -0.10 0.01 0.05 -0.06 -0.10 0.06 -0.06 -0.12 0.09 -0.10 -0.10 0.05 -0.08 -0.01 0.00 0.02 0.01 -0.01 -0.07 0.05 0.05 -0.02 0.04 0.06 -0.03 -0.01 0.06 -0.02 0.04 -0.00 -0.04 -0.01 -0.02 0.01 -0.01 -0.09 0.04 -0.06 -0.09 -0.05 0.19 -0.34 0.33 0.25 -0.01 0.10 0.02 -0.03 0.00 0.16 -0.13 -0.05 -0.03 0.23 0.07 0.14 0.13 -0.09 -0.18 0.12 -0.16 0.02 0.01 -0.01 -0.08 0.11 -0.06 -0.15 0.09 -0.14 -0.00 -0.01 0.08 0.02 -0.03 0.00 0.01 0.06 0.04 -0.01 0.08 -0.08 0.03 0.02 -0.05 0.02 -0.01 0.03 -0.00 0.14 0.03 -0.06 -0.02 -0.13 0.07 0.01 0.09 0.05 -0.04 -0.04 0.07 -0.08 -0.00 -0.03 0.04 0.04 -0.05 0.04 0.03 0.01 -0.00 -0.02 0.04 -0.10 -0.07 0.09 0.09 0.01 0.00 -0.08 -0.06 -0.06 0.05 0.06 -0.08 -0.07 -0.01 0.08 -0.09 0.09 -0.06 0.01 0.04 -0.13 -0.07 0.05 0.01 -0.02 -0.07 0.09 -0.03 -0.05 0.11 -0.01 -0.01 -0.02 0.02 0.06 -0.01 0.01 -0.09 -0.08 0.01 -0.00 -0.09 -0.00 -0.11 -0.06 0.04 0.08 0.04 -0.01 -0.05 0.08 0.01 0.05 0.08 -0.03 -0.10 0.13 0.13 -0.02 0.01 -0.18 0.15 -0.00 -0.07 -0.06 -0.27 -0.07 -0.21 -0.08 0.20 0.03 0.07 -0.21 -0.06 -0.11 -0.14 0.06 0.23 -0.15 0.08 -0.20 -0.09 0.06 -0.01 -0.02 -0.11 0.16 -0.01 -0.03 -0.02 0.02 0.09 -0.01 -0.00 0.05 -0.18 -0.06 -0.20 -0.07 0.07 0.16 0.04 -0.02 -0.11 0.18 0.05 0.01 0.00 0.04 0.01 0.00 0.00 0.04 0.09 -0.01 0.09 -0.02 -0.04 -0.03 0.02 -0.08 0.02 0.01 -0.04 -0.01 0.02 -0.04 0.01 -0.02 0.02 0.03 0.04 -0.06 0.03 0.02 0.06 -0.07 -0.08 0.08 0.02 -0.10 0.04 -0.04 0.07 -0.02 0.00 0.02 -0.07 -0.02 0.04 0.01 -0.10 0.08 0.00 -0.01 -0.02 0.02 -0.02 -0.10 -0.00 -0.01 -0.10 -0.00 0.04 -0.01 -0.01 -0.02 0.00 0.01 0.00 0.03 0.00 0.00 0.03 0.03 0.02 0.01 0.02 -0.02 -0.00 0.00 0.00 -0.02 -0.01 -0.02 -0.01 -0.04 0.03 0.01 0.07 0.01 -0.06 0.52 -0.39 -0.36 0.00 -0.00 -0.23 -0.07 -0.09 -0.13 0.16 0.03 0.06 -0.19 -0.07 -0.14 -0.10 0.04 0.10 -0.10 -0.15 0.14 -0.00 -0.00 0.02 0.04 -0.02 -0.14 -0.00 0.08 -0.03 -0.01 -0.06 0.01 0.03 -0.01 0.04 0.05 0.06 0.01 0.03 -0.05 -0.01 0.02 0.01 -0.04 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 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 -0.01 0.01 0.05 -0.07 0.21 -0.05 0.06 -0.20 -0.04 0.06 -0.20 0.04 -0.05 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 -0.01 -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 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.09 -0.12 0.40 -0.10 0.12 -0.42 -0.09 0.13 -0.45 0.09 -0.12 0.42 0.02 0.00 0.05 0.12 -0.07 -0.05 0.07 0.08 0.01 -0.12 -0.03 -0.05 -0.08 0.01 0.12 0.00 -0.03 -0.04 -0.01 -0.02 -0.03 0.01 0.00 0.02 0.01 0.06 0.04 -0.07 -0.08 -0.00 -0.01 0.03 0.08 0.01 0.03 0.01 -0.03 0.14 0.03 0.05 -0.14 0.03 0.01 0.07 -0.00 0.05 0.01 -0.01 0.10 -0.05 -0.14 0.06 -0.02 -0.12 -0.01 0.05 -0.11 0.02 -0.04 -0.02 -0.01 0.02 0.01 -0.12 0.01 0.06 -0.08 0.03 -0.02 -0.14 0.01 0.00 -0.03 0.05 0.02 -0.10 0.03 0.03 0.02 -0.00 0.06 -0.05 -0.15 -0.02 -0.00 0.07 0.24 -0.16 -0.03 0.06 0.07 0.18 0.19 0.19 0.04 -0.16 0.08 -0.34 0.07 0.17 -0.11 0.03 0.13 -0.02 0.01 0.11 -0.06 0.00 0.12 -0.21 -0.20 0.19 -0.05 -0.17 0.04 -0.07 -0.03 -0.02 0.05 0.04 -0.06 -0.01 -0.09 -0.16 0.02 -0.05 -0.07 0.06 -0.01 -0.16 0.12 0.01 0.06 0.01 0.14 0.03 0.00 -0.01 0.06 -0.08 0.03 0.05 -0.01 0.11 -0.06 -0.13 0.09 -0.01 0.02 0.02 -0.01 0.03 0.02 -0.02 -0.00 -0.02 -0.00 -0.09 0.05 0.14 0.04 -0.03 0.03 -0.01 -0.05 -0.01 -0.01 -0.01 -0.05 -0.07 -0.02 -0.04 0.10 -0.02 -0.05 -0.03 0.02 -0.08 0.03 -0.05 -0.05 0.05 -0.15 -0.05 -0.01 -0.22 -0.02 -0.04 -0.20 -0.02 0.04 0.01 -0.01 -0.01 -0.02 0.01 0.08 0.02 0.00 0.09 0.01 0.03 0.06 0.00 -0.05 -0.00 0.02 -0.01 -0.04 -0.01 -0.02 -0.05 0.01 0.14 0.07 -0.06 0.01 -0.05 -0.29 0.19 0.16 -0.01 -0.10 -0.05 -0.18 -0.14 -0.03 0.12 -0.09 0.33 -0.05 -0.19 0.12 0.01 -0.15 -0.08 0.04 -0.05 0.12 0.03 -0.17 0.08 -0.24 0.03 0.04 -0.25 -0.04 0.06 0.02 -0.00 -0.03 -0.04 -0.03 0.14 0.05 0.11 0.06 -0.00 -0.13 -0.01 0.04 0.02 -0.08 -0.03 0.01 0.00 0.06 -0.04 0.03 0.02 0.07 0.18 0.01 0.00 0.10 0.01 -0.00 -0.06 -0.03 0.00 -0.01 0.01 0.02 -0.02 0.01 0.02 -0.00 0.01 -0.02 0.03 -0.03 -0.15 -0.09 0.02 -0.01 0.02 -0.04 -0.02 0.08 0.02 0.01 -0.11 -0.05 0.06 -0.19 0.03 0.00 -0.06 -0.01 -0.08 -0.02 -0.04 -0.06 0.06 -0.01 -0.09 0.01 -0.05 -0.03 -0.04 -0.03 0.01 -0.01 0.01 0.03 -0.01 0.01 0.06 0.03 -0.04 0.05 0.02 0.02 0.08 0.02 0.00 0.00 -0.03 -0.00 0.05 -0.03 -0.01 -0.02 -0.02 -0.04 -0.12 -0.19 -0.01 -0.02 0.00 -0.14 0.08 0.07 -0.02 0.08 0.10 0.20 0.05 0.18 -0.16 0.13 -0.53 0.08 0.25 -0.16 0.02 0.23 0.05 -0.00 -0.11 0.05 -0.03 -0.13 0.17 0.00 -0.14 0.06 -0.03 0.02 -0.02 0.01 0.03 -0.00 0.01 0.03 0.06 0.09 0.14 0.01 0.04 -0.01 -0.04 0.04 0.09 -0.10 0.01 -0.02 0.01 -0.01 0.03 -0.02 -0.02 -0.02 -0.01 0.02 -0.05 -0.01 -0.01 -0.00 0.05 0.00 0.00 0.01 0.01 0.00 0.01 0.01 -0.00 0.00 -0.00 -0.01 -0.03 0.00 -0.02 0.00 0.01 -0.00 -0.01 -0.02 -0.01 0.02 0.00 0.09 -0.09 -0.03 -0.00 0.00 0.00 0.17 -0.22 -0.05 -0.07 0.22 0.03 -0.00 0.14 0.03 0.10 -0.14 -0.01 0.05 -0.04 0.01 -0.00 0.02 0.01 0.00 -0.01 -0.01 -0.04 -0.03 0.03 -0.04 -0.02 -0.01 -0.07 -0.01 -0.01 -0.01 0.02 -0.00 -0.04 0.02 0.01 0.01 0.01 0.04 -0.02 0.01 0.01 0.00 -0.04 -0.09 0.05 0.02 -0.01 -0.00 0.06 0.04 0.03 0.01 -0.03 0.00 -0.02 0.01 0.01 0.01 0.00 0.00 0.01 -0.00 -0.24 0.55 0.10 -0.14 0.50 0.12 0.12 -0.20 -0.02 -0.00 0.02 0.01 0.00 -0.03 -0.02 -0.03 -0.04 -0.07 -0.11 0.00 -0.06 -0.00 0.04 -0.06 -0.08 0.08 -0.01 0.01 0.00 0.01 -0.02 0.01 -0.00 0.01 0.02 -0.01 0.03 0.02 0.01 0.01 0.05 -0.04 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.00 -0.01 -0.00 -0.00 -0.01 -0.01 0.00 0.00 0.00 -0.03 -0.01 -0.00 0.00 -0.01 0.00 -0.05 0.01 0.01 -0.02 -0.01 -0.01 -0.03 -0.02 0.00 -0.02 0.00 -0.01 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.06 -0.08 0.24 0.00 0.00 -0.05 0.02 -0.01 -0.03 -0.00 0.02 -0.09 0.01 0.02 -0.09 0.06 -0.07 0.22 0.00 -0.01 -0.00 0.00 -0.02 -0.03 0.01 -0.01 -0.01 0.01 -0.02 -0.01 -0.02 0.02 0.00 0.01 -0.03 -0.00 0.01 -0.01 -0.00 0.01 0.00 -0.00 -0.01 -0.01 0.00 -0.04 -0.04 -0.01 -0.05 0.03 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.06 0.08 -0.38 -0.06 0.10 -0.41 -0.07 0.13 -0.45 -0.08 0.13 -0.49 0.02 0.02 -0.07 0.03 -0.01 -0.01 -0.13 0.03 -0.08 0.15 0.06 -0.09 -0.03 -0.13 0.07 -0.00 0.00 0.01 0.01 -0.01 0.01 0.01 -0.00 0.00 0.01 0.05 -0.08 -0.11 0.03 0.00 -0.03 -0.02 -0.03 0.04 -0.04 -0.04 0.03 -0.10 0.19 -0.00 0.03 -0.01 -0.11 -0.12 0.08 0.12 -0.00 0.24 -0.14 0.00 -0.06 0.13 0.09 0.03 -0.00 -0.02 -0.11 0.00 -0.01 0.01 0.02 -0.01 0.01 0.01 0.03 0.02 -0.00 0.05 0.01 -0.01 0.06 0.02 -0.04 0.00 0.00 -0.04 -0.00 0.00 -0.02 -0.02 0.02 -0.14 0.07 0.07 -0.01 0.02 0.15 -0.10 -0.18 -0.07 0.12 -0.18 0.01 -0.01 0.00 -0.04 0.02 -0.08 0.01 0.07 0.00 -0.02 0.05 0.14 -0.04 0.18 0.09 0.36 -0.28 0.05 -0.14 0.33 0.26 -0.03 0.00 -0.01 0.01 0.02 -0.01 0.00 -0.03 0.09 0.03 0.01 0.06 0.00 -0.09 0.00 0.00 -0.03 -0.02 -0.03 0.00 0.03 -0.00 -0.07 0.04 0.03 0.02 0.02 -0.05 0.06 -0.00 -0.00 0.01 0.11 0.15 0.00 0.01 0.00 -0.01 -0.03 -0.02 0.00 0.02 0.01 0.00 0.06 0.01 0.04 -0.01 -0.01 0.02 0.08 0.07 0.05 -0.04 -0.00 -0.17 0.08 0.07 0.00 -0.01 -0.00 -0.00 -0.29 0.01 -0.09 -0.00 0.03 -0.08 -0.06 -0.03 -0.01 -0.10 -0.11 -0.11 0.30 0.00 -0.00 -0.03 -0.02 -0.00 0.01 0.01 -0.02 -0.03 -0.03 0.03 -0.06 -0.03 0.06 -0.13 -0.06 0.09 0.01 -0.00 0.12 -0.04 -0.02 0.08 0.01 -0.05 0.03 -0.01 0.01 0.00 0.12 0.17 -0.07 0.01 0.05 0.03 -0.07 -0.04 0.00 -0.04 0.03 -0.01 0.04 -0.01 -0.02 -0.02 -0.00 -0.02 -0.04 -0.00 0.04 -0.12 0.05 -0.13 -0.21 -0.16 0.18 -0.48 -0.20 -0.01 -0.09 -0.05 -0.00 0.03 0.01 0.09 -0.14 -0.03 0.09 -0.14 -0.01 0.16 -0.01 0.04 0.12 -0.02 0.06 0.00 0.00 0.02 -0.02 0.01 0.01 -0.05 -0.11 0.01 -0.08 -0.06 -0.10 -0.11 -0.10 -0.09 0.00 0.02 -0.00 -0.02 -0.06 -0.05 -0.01 0.04 0.02 0.10 0.14 0.06 0.03 0.00 0.00 0.06 0.21 0.20 0.02 -0.04 -0.00 0.12 0.04 0.01 -0.00 0.02 -0.00 0.15 -0.11 -0.08 -0.01 -0.12 0.04 0.01 0.12 -0.05 -0.11 0.05 0.05 -0.11 -0.05 -0.03 -0.01 -0.06 -0.04 -0.02 0.03 0.01 0.03 0.04 0.04 0.11 0.05 0.01 0.04 0.06 0.03 0.03 -0.05 -0.05 -0.02 -0.04 -0.03 0.01 -0.06 0.03 0.02 0.04 0.02 0.01 0.33 0.38 -0.11 0.13 0.17 0.02 0.01 0.02 0.10 -0.10 0.01 -0.03 0.11 -0.00 -0.05 0.02 0.00 -0.05 -0.05 0.00 -0.07 -0.16 -0.04 0.02 0.31 0.06 -0.07 0.17 0.04 -0.02 -0.15 -0.09 -0.02 0.06 0.02 0.07 0.11 -0.03 0.11 0.09 -0.06 -0.05 -0.02 -0.12 -0.01 -0.06 -0.15 -0.00 0.00 -0.00 -0.03 -0.01 0.00 0.02 0.02 0.00 0.01 0.01 0.03 -0.02 0.05 0.01 -0.01 -0.05 -0.02 0.01 0.04 0.03 0.00 -0.03 -0.01 -0.02 -0.04 -0.01 -0.01 -0.00 0.00 -0.02 -0.08 -0.06 -0.01 0.01 0.00 -0.04 0.05 0.00 0.00 -0.00 0.00 0.02 -0.02 0.00 0.01 0.05 -0.00 0.02 -0.03 0.01 0.04 -0.03 0.01 -0.04 0.13 0.04 0.01 0.05 0.03 0.00 -0.01 -0.00 0.03 0.09 0.01 0.34 0.03 -0.05 -0.12 0.23 0.11 0.16 -0.27 -0.13 -0.30 -0.06 0.04 -0.02 -0.10 -0.01 -0.00 -0.01 -0.01 -0.02 -0.09 -0.10 0.02 -0.06 -0.06 -0.01 0.02 -0.00 -0.02 0.02 -0.00 0.00 -0.02 0.00 0.01 -0.00 0.00 0.01 0.01 0.00 0.06 -0.05 -0.02 0.09 -0.16 -0.01 0.13 -0.26 -0.03 0.02 0.13 0.07 0.00 -0.02 -0.01 0.28 0.11 -0.03 -0.01 0.24 0.07 0.06 -0.27 -0.14 -0.26 -0.12 -0.01 0.00 0.00 0.02 0.06 -0.04 -0.02 0.02 0.03 -0.06 0.03 -0.01 0.03 0.15 -0.05 -0.03 0.04 0.20 0.11 -0.03 -0.14 -0.08 0.00 0.10 0.05 -0.06 0.01 0.00 0.05 -0.01 -0.01 0.02 0.08 0.08 0.03 -0.03 0.01 -0.12 -0.01 -0.08 0.01 -0.02 -0.00 -0.08 -0.13 -0.02 0.08 0.03 -0.18 -0.14 -0.05 0.13 0.04 0.06 -0.01 0.11 0.03 0.06 -0.02 -0.16 -0.09 -0.01 0.03 0.01 0.09 -0.02 -0.03 -0.05 -0.03 0.01 -0.04 0.15 0.06 -0.08 -0.07 -0.01 -0.10 0.09 0.04 -0.11 0.03 0.05 0.04 -0.01 0.02 0.07 0.02 0.06 0.03 0.10 0.08 -0.01 -0.03 -0.05 -0.01 -0.03 0.05 -0.01 0.04 -0.01 -0.03 -0.03 -0.00 -0.03 -0.07 0.00 0.14 0.00 -0.15 -0.24 -0.02 0.07 -0.13 -0.06 0.05 -0.07 -0.49 -0.27 -0.01 0.02 0.00 -0.12 0.09 0.07 -0.17 0.14 0.09 -0.05 -0.06 -0.03 -0.06 0.03 -0.00 0.00 -0.01 -0.01 -0.05 0.02 0.02 -0.01 0.02 0.04 0.04 -0.04 0.04 -0.07 0.13 0.07 0.05 0.22 0.13 -0.03 -0.12 -0.07 -0.01 0.12 0.05 -0.02 -0.05 0.00 -0.07 0.01 -0.03 0.01 -0.03 -0.01 0.01 -0.02 -0.05 0.07 -0.09 0.01 -0.00 0.05 -0.01 -0.03 0.15 0.04 -0.03 0.01 0.06 0.07 -0.00 -0.05 0.01 -0.04 -0.02 0.02 -0.09 -0.04 -0.04 -0.16 -0.09 -0.01 0.00 -0.01 -0.07 0.03 0.05 0.09 0.03 -0.05 -0.04 -0.08 -0.06 0.12 -0.01 0.01 -0.01 -0.09 0.01 0.08 -0.03 -0.09 -0.06 0.02 -0.07 0.09 -0.14 -0.03 0.07 -0.03 -0.00 0.05 0.02 0.06 0.06 0.02 -0.14 0.02 -0.06 0.01 0.05 0.08 -0.00 0.05 0.10 -0.00 -0.11 0.20 0.11 0.04 0.07 -0.03 -0.05 0.26 0.01 -0.10 -0.50 -0.28 -0.02 -0.06 -0.04 0.16 -0.08 -0.12 0.08 -0.07 -0.07 0.09 -0.03 0.08 -0.04 -0.05 0.12 -0.00 -0.00 -0.02 -0.01 0.00 0.00 0.03 -0.05 -0.11 -0.11 0.16 -0.08 -0.00 0.02 0.01 0.01 0.04 0.03 -0.01 -0.01 -0.01 0.00 0.03 0.01 -0.02 0.03 -0.11 0.20 -0.03 0.13 0.01 -0.03 -0.05 -0.05 0.09 0.15 0.01 -0.02 0.04 0.00 -0.16 0.03 0.01 0.02 0.04 -0.02 -0.02 0.07 0.03 0.01 -0.02 0.01 -0.00 -0.00 0.01 -0.01 -0.02 -0.01 -0.04 -0.02 -0.00 -0.01 -0.01 -0.01 0.00 0.01 0.01 0.00 -0.01 -0.01 -0.01 -0.01 0.01 -0.00 0.00 -0.01 -0.01 0.00 0.01 -0.00 -0.01 0.17 -0.06 0.24 0.02 -0.05 -0.06 0.06 -0.07 -0.05 -0.21 -0.04 -0.20 -0.26 -0.01 0.46 -0.06 0.16 -0.03 -0.17 -0.29 0.01 -0.14 -0.32 0.01 -0.03 0.03 0.10 0.01 0.02 -0.04 0.04 0.08 -0.01 -0.03 -0.11 -0.06 -0.00 -0.05 -0.03 0.02 -0.01 -0.02 0.00 -0.01 -0.01 0.01 -0.01 0.01 -0.01 -0.01 0.02 -0.01 0.00 -0.01 0.02 -0.01 -0.01 0.01 0.00 0.04 0.00 -0.01 0.03 -0.00 -0.09 -0.07 0.01 0.02 0.02 0.01 0.10 0.05 0.02 0.18 0.09 0.00 -0.03 -0.01 -0.03 0.00 -0.01 -0.01 -0.08 -0.06 -0.01 0.01 -0.01 0.01 0.05 0.04 -0.00 0.02 -0.00 0.08 0.00 0.01 -0.06 -0.00 0.08 0.07 0.04 -0.04 -0.03 -0.02 0.02 -0.08 0.10 0.01 -0.02 -0.11 -0.06 -0.02 -0.15 -0.08 0.02 0.00 -0.06 -0.03 -0.01 0.05 0.04 0.02 0.05 -0.06 0.02 -0.03 0.02 0.04 -0.04 -0.02 -0.00 0.08 -0.02 -0.00 -0.04 0.01 -0.11 -0.06 0.02 -0.10 -0.06 0.00 0.03 0.03 0.01 0.03 -0.05 0.01 -0.04 0.01 0.02 0.03 0.00 0.02 0.05 0.00 0.01 -0.19 0.02 0.21 -0.17 -0.04 0.17 -0.31 -0.06 -0.05 -0.33 -0.18 -0.07 -0.49 -0.25 -0.06 0.04 0.11 0.01 0.01 0.08 -0.06 0.04 -0.10 0.03 0.03 -0.13 0.01 -0.00 0.03 -0.02 0.01 0.01 -0.01 -0.01 -0.02 -0.01 0.00 -0.03 -0.01 0.06 0.06 -0.04 -0.14 -0.08 0.04 0.20 0.10 0.04 0.15 0.09 0.02 0.05 0.03 0.02 -0.00 0.00 -0.02 0.08 0.05 0.01 -0.02 0.01 -0.02 -0.02 -0.05 0.00 -0.01 -0.00 -0.09 -0.02 -0.05 0.09 0.03 -0.11 -0.11 -0.05 0.05 0.04 0.04 0.00 0.06 -0.10 -0.00 0.02 -0.05 -0.01 -0.02 -0.19 -0.09 -0.03 -0.00 0.07 0.03 0.02 -0.05 -0.03 -0.03 -0.05 0.05 -0.01 0.03 -0.01 -0.05 0.04 0.03 -0.00 -0.08 0.01 0.00 0.03 -0.09 0.18 0.07 -0.07 0.10 0.05 0.00 -0.03 -0.01 0.01 -0.03 0.03 -0.01 0.03 -0.00 -0.02 -0.02 -0.00 -0.02 -0.03 -0.00 0.04 0.14 -0.08 -0.23 0.15 0.06 -0.14 0.25 0.07 0.04 -0.09 -0.03 -0.07 -0.56 -0.27 0.06 -0.03 -0.10 0.00 -0.02 -0.10 0.05 -0.03 0.11 -0.02 -0.03 0.12 0.01 -0.00 0.06 -0.04 0.02 0.01 0.01 -0.01 0.01 -0.03 0.02 -0.03 -0.14 -0.08 0.03 0.02 0.04 0.03 -0.02 -0.04 -0.02 -0.01 -0.01 -0.01 0.01 -0.02 -0.01 0.01 0.00 0.03 0.02 -0.06 -0.04 -0.02 0.03 0.02 0.06 0.04 -0.10 -0.00 -0.02 0.01 -0.07 -0.01 -0.15 0.20 0.15 -0.13 -0.12 -0.08 0.03 0.16 0.03 0.14 -0.10 0.01 0.03 -0.01 0.00 -0.01 -0.01 0.03 0.01 -0.12 0.09 -0.14 0.07 0.04 0.12 0.03 -0.14 0.06 0.02 0.12 -0.09 0.01 -0.05 -0.14 0.13 -0.09 0.13 0.01 -0.01 0.03 0.04 -0.11 -0.07 0.06 -0.07 -0.03 -0.04 0.01 -0.02 -0.04 0.01 0.06 -0.00 -0.00 -0.00 -0.01 -0.04 0.00 -0.01 -0.01 -0.00 0.16 0.08 -0.21 -0.01 -0.14 0.10 0.22 -0.15 0.11 -0.03 -0.03 -0.03 0.01 0.08 0.03 0.15 -0.08 0.22 0.22 -0.19 0.26 -0.08 0.15 -0.20 -0.05 0.04 -0.20 0.01 0.00 0.03 -0.00 0.00 0.01 0.01 -0.01 0.03 -0.02 0.01 -0.01 -0.07 -0.11 -0.06 0.02 0.04 0.03 -0.02 -0.02 -0.01 -0.02 -0.00 -0.01 0.01 -0.03 -0.01 -0.01 0.00 0.01 0.03 -0.09 -0.05 -0.02 0.03 0.00 0.02 0.08 -0.03 -0.00 -0.00 0.00 0.02 -0.04 -0.09 0.08 0.07 -0.03 -0.04 -0.01 -0.01 0.05 0.02 0.10 -0.11 0.06 0.02 -0.01 0.01 -0.01 -0.01 0.02 0.00 0.05 -0.06 0.22 -0.03 0.06 -0.10 0.01 0.04 -0.10 0.01 -0.01 0.13 0.06 -0.05 0.12 -0.04 0.05 -0.19 -0.00 -0.01 -0.01 0.06 -0.13 -0.05 0.06 -0.11 -0.05 -0.02 0.02 0.00 -0.02 0.02 0.01 0.00 -0.02 0.00 0.00 -0.01 0.00 0.01 0.02 0.00 0.12 -0.14 -0.13 0.11 -0.15 0.04 0.23 -0.29 0.03 -0.04 -0.03 -0.03 0.00 0.04 0.01 -0.09 0.15 -0.34 -0.04 0.15 -0.48 -0.00 -0.03 0.21 0.08 -0.07 0.12 -0.01 0.00 -0.01 -0.01 0.01 0.01 0.00 0.08 -0.11 0.01 -0.08 0.18 -0.04 -0.02 -0.02 -0.05 0.06 -0.01 0.06 -0.03 0.00 0.07 -0.03 0.03 -0.13 -0.00 -0.02 0.07 -0.02 -0.06 -0.22 0.00 -0.14 0.02 -0.03 0.02 -0.14 0.23 0.05 0.01 -0.03 -0.01 0.14 -0.12 0.00 0.07 -0.07 0.01 0.06 0.10 -0.00 -0.01 0.10 0.04 0.05 -0.14 -0.02 0.02 -0.03 0.04 0.07 -0.01 0.02 -0.04 0.02 0.01 0.02 0.04 0.01 -0.02 -0.06 -0.01 0.02 0.06 0.01 -0.02 -0.05 -0.01 0.05 -0.02 -0.02 0.05 0.01 -0.02 -0.20 -0.04 -0.16 -0.17 0.03 -0.13 -0.06 0.11 -0.04 0.02 -0.02 0.00 -0.01 0.06 0.01 -0.03 0.01 0.00 -0.05 -0.14 0.01 0.21 -0.31 -0.02 -0.07 0.48 0.10 0.01 0.18 0.04 0.09 -0.09 0.03 0.05 0.01 0.05 0.05 -0.01 -0.02 0.05 -0.05 -0.02 -0.04 0.06 0.02 -0.05 0.00 0.01 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.04 0.00 0.03 0.01 0.03 -0.03 0.02 0.04 0.02 0.08 -0.05 0.03 -0.08 0.03 0.00 -0.10 0.03 -0.04 0.04 -0.03 -0.01 -0.07 0.01 0.04 0.28 -0.19 0.04 -0.03 0.03 0.02 -0.13 0.18 0.04 -0.01 0.03 0.01 0.05 -0.12 0.02 0.02 -0.07 -0.01 -0.01 0.04 0.01 -0.04 0.07 -0.02 0.08 -0.11 -0.02 -0.04 0.04 -0.06 -0.09 0.02 -0.03 -0.01 0.01 -0.02 0.01 -0.00 0.00 -0.02 -0.02 -0.00 0.01 0.01 -0.01 -0.02 -0.01 -0.01 0.01 -0.01 0.01 -0.04 -0.03 -0.00 0.32 -0.23 0.07 0.27 -0.27 0.03 0.02 -0.02 0.07 -0.02 0.04 -0.00 0.02 -0.09 -0.01 0.05 0.01 -0.01 0.07 0.15 -0.01 0.12 -0.22 -0.02 -0.20 0.39 0.05 -0.11 0.20 0.01 -0.15 0.09 -0.06 -0.05 0.00 -0.06 0.03 -0.04 0.03 0.00 -0.04 0.07 0.01 0.01 0.00 -0.03 0.01 0.03 0.01 0.00 0.00 0.01 -0.00 -0.00 0.03 -0.12 0.41 0.01 0.06 -0.20 0.02 0.06 0.05 -0.04 0.09 0.01 0.04 -0.05 0.02 0.05 -0.02 0.02 0.11 0.06 -0.02 0.03 -0.00 0.02 -0.15 0.00 -0.22 -0.02 0.07 -0.15 -0.04 0.11 0.02 0.01 -0.05 0.00 -0.03 -0.07 -0.01 -0.01 -0.02 -0.01 -0.06 -0.03 0.01 -0.03 0.02 -0.03 0.04 -0.06 -0.02 -0.01 -0.02 0.05 0.07 -0.00 0.02 0.01 -0.01 -0.01 -0.01 -0.04 -0.01 0.00 0.02 -0.01 -0.00 -0.04 -0.02 0.01 0.03 -0.01 -0.02 0.01 0.02 0.09 0.00 -0.14 -0.17 0.13 0.16 -0.30 -0.25 -0.28 0.02 0.01 -0.14 -0.02 0.06 -0.15 -0.02 0.04 0.02 -0.06 -0.02 0.02 -0.05 -0.15 0.04 0.05 -0.17 -0.06 -0.22 0.20 0.00 -0.07 0.05 -0.01 0.02 -0.14 0.00 0.07 0.01 0.03 -0.01 -0.04 0.02 -0.01 -0.01 0.10 0.05 -0.04 -0.01 0.04 -0.01 0.06 -0.01 -0.00 -0.03 -0.02 0.01 0.01 -0.00 -0.01 0.07 0.02 0.03 -0.07 0.10 -0.10 -0.08 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 0.01 0.00 0.01 -0.00 0.03 0.04 0.01 0.00 -0.04 -0.04 -0.07 0.01 0.00 -0.01 0.00 0.02 -0.01 0.11 -0.05 0.02 -0.03 0.02 0.03 0.08 -0.04 0.05 -0.08 0.09 0.03 0.02 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.04 0.02 -0.02 0.05 0.15 0.03 -0.07 -0.12 0.05 0.02 0.19 0.04 -0.13 -0.14 0.05 0.09 -0.04 -0.07 0.01 0.01 0.00 -0.01 0.03 0.00 0.00 0.08 0.05 0.03 -0.06 -0.06 -0.01 -0.01 -0.02 -0.00 0.01 -0.01 -0.01 -0.03 0.00 -0.01 -0.02 0.00 0.13 -0.16 0.00 0.05 -0.19 -0.01 0.04 -0.36 -0.12 0.01 0.03 0.01 -0.00 -0.00 0.00 0.11 0.07 0.08 -0.08 0.01 -0.43 -0.16 0.16 0.17 -0.33 0.14 -0.29 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 -0.01 0.02 -0.02 -0.03 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 0.00 0.00 -0.00 0.01 0.01 0.00 -0.00 -0.01 -0.00 -0.02 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.02 -0.01 0.01 -0.00 0.00 0.01 0.01 -0.01 0.02 -0.01 0.02 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.02 0.06 0.02 0.03 0.03 -0.04 0.01 -0.10 0.01 0.03 0.06 -0.05 0.00 -0.08 0.02 -0.02 0.02 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 0.03 0.02 0.01 -0.02 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.05 -0.07 -0.01 0.02 -0.06 -0.00 0.04 -0.14 -0.04 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.05 0.10 -0.28 0.13 -0.19 0.57 -0.10 0.12 -0.25 0.08 -0.16 0.57 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.01 0.00 0.01 -0.02 0.00 0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.02 0.01 -0.01 -0.00 0.00 -0.02 0.00 0.02 0.00 -0.00 0.01 0.01 -0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.01 -0.02 0.03 0.01 -0.00 -0.01 -0.01 -0.02 0.04 0.01 0.00 -0.03 -0.01 0.00 -0.01 -0.01 0.00 0.00 -0.00 0.02 -0.03 0.08 -0.02 0.02 -0.08 -0.01 0.01 -0.03 -0.02 0.02 -0.10 -0.01 0.01 -0.03 0.01 -0.02 0.06 -0.01 -0.01 0.01 -0.02 -0.01 -0.06 0.02 0.07 0.03 0.02 -0.04 0.01 -0.00 -0.01 0.02 0.00 -0.02 0.00 0.01 0.02 -0.00 0.01 0.03 -0.00 0.09 -0.20 -0.05 -0.02 0.06 0.01 0.12 -0.25 -0.05 0.02 0.03 0.02 -0.01 0.00 0.00 0.12 -0.15 0.53 0.03 -0.04 0.14 0.15 -0.18 0.61 0.04 -0.05 0.18 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.02 0.03 -0.01 -0.03 0.05 0.02 -0.04 -0.03 0.01 -0.01 -0.00 -0.01 -0.01 0.02 -0.01 0.00 -0.01 0.00 0.04 -0.03 0.02 0.00 -0.00 0.04 -0.00 -0.05 -0.01 0.01 -0.02 -0.02 0.03 0.00 0.01 -0.02 0.00 0.01 -0.02 0.00 0.03 -0.06 -0.01 -0.03 0.06 0.02 0.03 -0.08 -0.01 -0.02 0.06 0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.01 -0.02 0.05 0.00 0.04 -0.03 -0.02 -0.00 -0.02 -0.01 0.05 -0.03 -0.03 -0.01 -0.02 0.02 -0.02 0.02 0.02 0.04 -0.02 0.05 0.04 0.15 -0.06 -0.17 -0.09 -0.04 0.10 -0.03 0.01 0.03 -0.06 -0.01 0.04 -0.01 -0.03 -0.04 0.00 -0.03 -0.07 -0.00 -0.22 0.42 0.09 0.16 -0.38 -0.06 -0.23 0.47 0.10 -0.03 -0.02 -0.01 0.02 0.00 -0.01 0.06 -0.02 0.22 0.02 -0.04 0.09 0.01 -0.04 0.27 -0.01 -0.04 0.14 -0.00 0.00 0.00 -0.00 0.00 0.00 0.13 -0.13 -0.06 -0.05 -0.00 0.02 0.04 -0.00 -0.00 -0.02 0.02 -0.00 0.01 -0.02 0.02 0.01 -0.01 -0.00 0.08 0.07 -0.08 -0.10 -0.03 -0.04 -0.01 0.04 -0.12 -0.06 -0.01 0.24 0.02 -0.01 0.00 -0.02 0.14 -0.04 -0.02 -0.01 -0.00 -0.02 -0.00 -0.00 -0.03 -0.01 0.02 -0.01 0.00 -0.02 0.02 0.00 0.00 -0.02 0.01 0.04 0.02 0.00 0.00 0.00 -0.00 -0.00 0.01 0.02 0.01 -0.01 -0.02 0.00 0.00 0.03 0.01 -0.03 -0.02 0.00 0.01 -0.01 -0.01 0.02 -0.24 -0.18 -0.04 0.17 0.22 -0.17 -0.23 -0.18 0.05 -0.04 0.43 0.03 0.03 0.12 0.01 -0.16 0.08 0.17 0.40 0.01 0.13 0.22 0.06 -0.02 -0.02 -0.02 -0.05 -0.06 -0.02 -0.02 -0.04 -0.02 -0.03 -0.15 -0.05 0.03 -0.03 -0.01 0.01 0.02 -0.01 -0.01 -0.01 -0.01 -0.03 0.03 -0.00 -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 -0.02 0.03 -0.00 -0.00 -0.00 0.01 0.03 0.01 -0.00 0.00 0.01 0.00 0.04 0.02 0.01 0.02 -0.03 0.00 0.00 -0.00 0.02 0.02 -0.03 -0.01 0.01 0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.01 -0.00 0.00 -0.02 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.03 -0.15 -0.07 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 0.01 0.01 -0.02 0.04 0.04 0.11 -0.06 -0.11 -0.06 -0.02 0.05 0.01 0.00 0.01 -0.02 -0.00 0.01 0.00 -0.01 0.01 0.00 -0.01 -0.02 0.00 0.01 -0.02 -0.01 -0.04 0.06 0.01 0.02 -0.05 -0.01 0.07 0.83 0.43 0.03 0.13 0.06 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.01 0.01 -0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.06 0.05 -0.00 -0.02 -0.08 0.13 0.02 0.01 0.01 0.02 -0.03 -0.02 -0.02 -0.02 0.05 -0.02 -0.00 -0.02 0.04 0.07 -0.08 0.04 0.02 0.01 0.11 0.05 -0.07 -0.03 0.04 -0.06 0.05 -0.07 -0.01 0.01 -0.06 0.01 -0.03 0.03 -0.01 -0.03 0.03 0.02 -0.00 -0.06 -0.01 -0.02 0.05 0.00 0.01 -0.01 -0.00 -0.01 0.05 0.02 -0.00 0.02 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 0.00 0.01 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.01 0.11 0.01 0.13 0.15 0.37 -0.15 -0.33 -0.16 -0.13 0.25 -0.11 0.01 0.04 -0.10 -0.01 0.09 -0.03 -0.08 -0.15 -0.00 -0.06 -0.12 -0.02 0.07 -0.19 -0.05 -0.15 0.23 0.03 0.16 -0.36 -0.08 -0.08 -0.25 -0.14 0.04 -0.12 -0.09 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.00 0.01 -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 0.01 0.01 -0.00 -0.00 0.00 0.01 0.00 0.01 0.03 0.01 -0.00 0.03 0.02 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 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 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.03 0.01 -0.02 -0.16 -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 0.01 0.00 0.01 0.01 0.01 -0.00 -0.01 -0.01 -0.01 0.01 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.03 0.05 0.01 0.01 -0.01 -0.00 -0.02 -0.16 -0.08 0.11 0.85 0.44 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 0.01 -0.00 0.01 0.00 0.01 -0.01 0.01 -0.06 -0.03 -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 -0.01 -0.01 -0.01 0.00 0.00 -0.01 0.01 -0.01 0.01 0.00 0.00 0.00 -0.01 -0.02 0.04 0.02 0.01 -0.01 -0.01 0.08 -0.15 -0.02 0.02 -0.05 -0.01 -0.05 0.13 0.02 0.00 0.00 0.00 0.00 0.01 0.00 0.02 -0.02 0.02 0.01 0.03 0.00 -0.00 0.00 -0.00 -0.01 0.04 0.00 -0.02 -0.01 -0.01 0.01 -0.01 0.00 0.00 -0.01 -0.01 -0.01 -0.02 -0.04 0.02 0.02 0.01 0.02 -0.03 0.02 0.00 -0.00 0.01 -0.00 -0.01 0.01 0.01 0.03 0.00 0.00 -0.01 0.01 -0.07 0.14 0.03 -0.35 0.82 0.16 -0.11 0.22 0.05 0.01 -0.02 -0.01 -0.01 -0.06 -0.03 0.01 0.04 0.03 0.01 -0.00 0.01 -0.03 0.01 0.09 -0.01 -0.03 0.06 0.01 0.00 0.03 0.00 -0.00 0.00 0.05 -0.06 -0.09 -0.01 -0.00 0.03 0.17 0.03 0.03 -0.02 0.02 0.01 0.01 0.01 -0.03 0.02 -0.00 0.01 0.07 -0.03 0.02 -0.03 0.00 0.13 -0.05 -0.01 -0.00 -0.01 0.02 -0.12 0.05 0.06 -0.01 -0.04 0.04 0.10 -0.06 -0.01 -0.19 -0.07 -0.05 0.08 -0.06 -0.00 -0.12 -0.02 -0.05 0.10 -0.01 0.00 -0.02 -0.00 -0.02 0.01 0.01 0.01 -0.00 0.04 -0.02 -0.02 0.01 0.03 0.01 -0.03 -0.03 -0.00 0.00 0.06 0.03 -0.08 -0.03 0.02 0.01 -0.00 -0.01 -0.01 -0.03 0.12 -0.09 0.00 -0.11 0.02 0.07 0.02 -0.06 0.12 -0.14 -0.02 0.03 -0.14 0.06 -0.02 -0.17 -0.01 -0.46 -0.06 0.10 0.49 -0.17 -0.20 -0.13 -0.06 -0.07 0.02 -0.13 -0.05 0.11 0.12 0.03 0.06 0.05 -0.03 -0.03 -0.00 0.01 0.05 0.02 -0.06 -0.05 0.03 -0.06 0.08 -0.04 -0.14 0.05 -0.02 -0.01 -0.00 -0.03 -0.00 0.00 -0.00 0.08 -0.09 -0.07 -0.01 0.01 0.03 -0.13 -0.03 -0.02 -0.01 0.01 -0.01 0.01 -0.00 0.00 0.01 -0.00 0.00 0.04 -0.02 -0.02 -0.04 -0.00 0.15 -0.01 0.05 -0.02 -0.02 0.02 -0.12 -0.04 -0.02 0.02 -0.04 0.06 0.11 0.05 0.00 0.15 0.06 0.03 -0.08 0.04 -0.01 0.11 0.01 0.02 -0.10 0.01 0.01 0.02 -0.01 -0.00 0.01 0.01 -0.00 0.00 -0.03 0.01 0.02 -0.01 -0.02 -0.00 0.02 0.02 0.00 -0.00 -0.04 -0.02 0.06 0.02 -0.02 -0.01 0.00 0.01 0.01 -0.07 0.07 -0.04 0.11 0.08 -0.08 0.00 -0.03 -0.05 0.12 -0.12 -0.01 0.05 -0.17 0.07 -0.03 -0.19 0.01 -0.48 -0.06 0.12 0.56 -0.18 0.15 0.11 0.03 0.03 0.01 0.12 -0.03 -0.00 -0.09 -0.00 -0.04 -0.00 0.01 0.01 0.01 -0.01 -0.03 -0.02 0.05 0.04 -0.03 0.04 -0.06 0.04 0.11 -0.04 0.03 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -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 0.01 -0.03 0.01 -0.01 0.04 0.02 -0.03 0.10 -0.01 0.01 -0.03 -0.03 0.03 -0.10 0.00 -0.01 0.02 -0.00 -0.03 0.03 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.02 -0.01 -0.06 -0.02 -0.01 0.05 -0.00 -0.05 0.02 0.03 0.03 0.00 0.02 0.01 0.01 -0.00 -0.02 -0.00 0.00 -0.02 -0.01 -0.00 0.01 0.01 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.06 0.07 -0.27 -0.13 0.17 -0.58 0.05 -0.06 0.21 0.14 -0.19 0.62 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 -0.00 -0.00 0.00 0.05 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.01 0.01 -0.00 -0.00 -0.02 0.03 -0.02 -0.00 -0.01 0.00 -0.01 -0.02 0.01 -0.07 -0.08 0.02 0.00 -0.00 -0.00 0.06 -0.00 0.03 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.03 0.26 -0.27 -0.02 -0.03 -0.07 0.06 0.01 0.02 0.16 0.04 0.50 0.17 0.08 -0.38 0.01 0.42 -0.13 -0.21 -0.26 -0.01 -0.14 -0.12 -0.09 -0.02 0.02 0.01 -0.01 -0.00 -0.01 0.03 -0.04 -0.01 -0.00 0.00 0.00 -0.02 -0.00 0.00 -0.01 0.01 -0.03 -0.02 0.02 -0.07 0.01 -0.01 0.03 0.02 -0.02 0.07 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.02 0.01 -0.01 0.00 0.00 -0.08 -0.05 0.13 -0.23 0.04 -0.01 0.46 0.00 -0.11 0.00 0.02 -0.02 0.00 0.01 -0.00 0.01 -0.03 0.03 0.01 0.01 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.00 0.00 0.01 0.01 -0.01 -0.00 -0.00 -0.01 0.01 -0.01 0.01 -0.01 0.00 -0.00 0.00 0.04 -0.10 0.18 -0.14 0.12 -0.23 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.03 0.02 -0.05 0.04 -0.00 0.13 -0.11 0.03 -0.04 0.03 -0.07 -0.02 -0.01 0.04 -0.01 -0.06 0.03 0.03 0.06 0.00 0.01 -0.02 0.02 -0.02 0.07 0.03 -0.01 0.01 0.01 0.03 -0.06 -0.02 -0.50 -0.01 0.13 -0.43 0.17 -0.08 -0.00 0.02 0.01 -0.01 -0.01 -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 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 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 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.02 0.03 -0.10 0.01 -0.01 0.04 0.02 -0.03 0.10 -0.01 0.01 -0.05 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 0.03 -0.04 -0.01 -0.00 0.01 0.00 -0.01 0.03 0.00 0.00 -0.01 -0.01 0.01 0.01 -0.00 0.14 -0.17 0.65 -0.05 0.07 -0.23 -0.12 0.16 -0.57 0.05 -0.07 0.24 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.00 0.01 0.00 0.01 0.01 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.01 -0.00 0.00 -0.02 0.01 -0.01 0.00 -0.01 0.00 -0.00 -0.01 0.00 0.02 -0.01 -0.01 -0.02 0.02 -0.00 -0.01 0.01 -0.00 -0.01 0.01 -0.01 0.06 -0.12 -0.02 0.01 -0.01 -0.02 -0.05 0.09 0.03 0.00 -0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 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 -0.05 0.02 -0.01 -0.01 -0.02 0.02 -0.00 0.00 -0.00 -0.01 -0.04 -0.01 -0.00 0.01 0.00 -0.04 0.00 0.03 0.02 -0.00 0.02 0.04 0.00 -0.35 0.68 0.17 -0.02 0.07 -0.00 0.22 -0.52 -0.09 0.02 -0.00 -0.00 0.00 -0.00 0.01 0.01 -0.01 0.04 -0.01 0.00 -0.02 -0.00 0.01 -0.04 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 -0.00 -0.00 0.06 -0.03 0.05 -0.02 0.11 -0.01 0.02 0.01 0.00 0.06 0.00 -0.08 -0.15 -0.12 0.30 0.03 0.04 -0.07 -0.20 -0.07 -0.05 0.01 -0.05 0.01 0.03 0.13 -0.02 0.06 -0.09 -0.04 -0.12 -0.06 -0.04 -0.01 0.05 0.01 -0.00 -0.01 0.04 0.00 0.03 -0.03 0.08 0.07 -0.15 0.05 -0.02 0.18 -0.03 -0.01 -0.01 0.13 0.03 -0.10 -0.08 0.01 -0.03 -0.01 0.00 0.00 0.02 0.02 0.01 -0.01 -0.03 -0.01 -0.01 -0.02 -0.01 0.01 0.02 0.00 -0.02 0.01 0.01 0.07 -0.15 -0.05 0.19 -0.01 0.21 -0.35 0.11 -0.05 0.09 -0.13 -0.01 0.02 -0.03 -0.06 0.02 -0.01 -0.04 0.04 -0.02 -0.02 0.05 0.17 -0.03 -0.00 -0.08 -0.10 0.03 0.04 -0.21 -0.01 0.01 0.21 0.22 0.02 -0.10 0.32 0.08 -0.18 -0.01 0.07 -0.02 -0.05 -0.04 -0.00 -0.02 -0.03 0.02 -0.01 0.04 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 0.00 0.01 0.01 0.00 -0.01 -0.02 -0.01 0.04 0.01 0.00 -0.01 -0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.01 0.00 -0.01 -0.01 0.00 -0.01 0.02 -0.00 -0.01 -0.17 -0.19 -0.02 0.07 0.24 0.05 0.06 0.16 0.03 -0.11 -0.14 -0.02 0.11 -0.05 -0.04 -0.00 0.00 0.00 0.02 -0.01 0.02 -0.05 0.02 -0.01 0.01 -0.02 0.01 0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.01 -0.00 -0.00 0.01 -0.01 -0.00 0.01 -0.00 0.01 -0.00 -0.01 0.00 -0.01 0.01 0.01 -0.00 -0.01 0.03 0.01 -0.02 -0.00 -0.48 -0.12 0.43 0.27 -0.01 0.33 0.18 -0.03 0.01 -0.35 -0.11 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.07 0.05 -0.12 0.04 -0.04 -0.08 -0.00 -0.00 -0.01 0.04 0.06 -0.04 -0.11 -0.09 0.21 0.03 0.02 -0.04 0.17 -0.11 0.28 -0.01 0.02 -0.04 -0.05 -0.03 -0.11 -0.07 0.10 0.06 0.07 0.07 0.05 0.02 -0.04 0.03 0.00 0.01 -0.07 0.01 -0.04 0.00 -0.04 -0.04 0.10 -0.06 0.02 -0.14 0.01 0.00 0.02 0.06 0.01 -0.06 -0.04 0.01 -0.02 0.00 -0.00 -0.00 0.02 0.02 0.00 -0.01 -0.02 -0.00 -0.01 -0.01 -0.00 0.01 0.01 0.00 -0.01 0.00 0.00 -0.13 0.24 0.10 0.04 -0.09 0.07 -0.36 0.17 -0.10 0.08 -0.14 0.18 -0.04 0.06 0.08 0.00 0.14 -0.07 -0.09 -0.17 0.00 -0.08 -0.06 -0.05 -0.04 0.20 0.11 0.07 -0.00 0.20 -0.05 -0.09 -0.16 0.14 0.03 -0.04 0.26 0.06 -0.14 -0.01 0.05 -0.00 -0.04 -0.02 0.01 -0.04 -0.02 0.01 -0.00 0.03 0.01 0.00 0.00 -0.01 0.00 -0.00 -0.00 0.04 -0.01 -0.04 0.17 -0.15 -0.12 0.01 0.00 0.00 -0.03 -0.00 -0.01 0.05 0.03 -0.08 0.01 -0.01 0.02 -0.02 -0.16 0.05 -0.04 0.06 0.01 0.05 0.10 0.00 -0.17 0.25 0.08 -0.12 -0.04 -0.01 0.02 -0.05 0.03 -0.00 -0.02 0.12 0.03 0.01 -0.08 0.07 0.06 -0.16 0.02 -0.02 0.18 -0.02 -0.01 -0.01 -0.09 -0.03 0.08 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 -0.03 0.18 -0.10 0.11 0.11 0.27 -0.19 0.02 -0.03 -0.00 -0.03 0.20 -0.09 0.18 0.06 -0.00 0.08 -0.03 -0.09 -0.14 0.01 -0.07 -0.10 -0.02 -0.12 0.09 -0.15 -0.11 0.03 -0.33 -0.14 -0.14 0.24 -0.21 -0.04 0.06 -0.09 -0.02 0.06 0.01 -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 -0.04 0.04 -0.03 -0.09 0.15 0.01 0.00 0.00 -0.00 -0.00 0.01 -0.03 0.05 0.04 -0.08 0.02 -0.02 0.03 -0.01 -0.06 0.19 0.02 -0.05 -0.04 0.10 0.03 -0.13 0.11 -0.14 -0.03 -0.02 -0.03 0.03 0.01 0.02 0.02 -0.00 0.01 -0.01 0.01 0.02 -0.03 0.03 0.02 -0.04 -0.02 -0.01 0.02 -0.00 -0.00 0.01 -0.16 -0.04 0.13 0.06 -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 -0.06 -0.00 0.12 0.33 -0.11 0.34 -0.34 -0.09 -0.19 0.16 -0.27 -0.01 0.02 -0.10 0.02 0.02 0.06 -0.05 0.00 -0.06 -0.01 0.00 0.08 -0.05 0.06 0.00 -0.01 0.05 0.02 -0.03 -0.15 -0.07 0.06 -0.42 -0.03 0.10 -0.09 -0.03 0.05 0.01 0.00 0.01 -0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 -0.00 0.00 0.00 -0.02 0.00 -0.03 -0.06 0.02 0.04 -0.00 0.00 0.00 0.00 0.01 0.03 -0.01 -0.01 0.01 -0.00 0.00 -0.01 0.15 0.09 0.05 -0.03 0.06 -0.00 -0.05 -0.09 -0.02 0.05 -0.06 -0.01 0.05 0.01 0.04 -0.00 -0.04 -0.01 0.01 -0.02 0.18 0.04 0.04 -0.10 -0.01 0.01 -0.10 -0.04 -0.03 0.08 0.01 0.00 -0.01 0.05 0.01 -0.04 -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 0.01 -0.00 -0.00 -0.07 0.13 0.06 -0.19 0.04 -0.15 0.14 -0.02 0.01 0.00 0.01 -0.05 0.03 -0.08 0.04 -0.02 -0.04 0.03 -0.01 0.02 0.01 -0.02 -0.09 0.02 -0.11 -0.01 -0.26 -0.38 -0.09 -0.45 -0.43 -0.24 0.21 0.11 0.01 -0.03 0.02 0.01 -0.01 -0.01 0.01 -0.00 -0.02 -0.00 0.00 -0.01 -0.00 0.00 -0.01 0.01 0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.14 -0.09 -0.03 -0.02 0.02 0.04 0.00 -0.00 -0.00 -0.00 0.01 -0.02 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.04 -0.02 -0.02 -0.18 0.34 0.05 0.01 0.03 -0.01 0.10 -0.05 -0.03 -0.02 0.00 -0.00 -0.01 -0.16 -0.04 -0.00 0.01 -0.06 -0.01 -0.01 0.02 0.01 -0.00 0.02 0.00 0.01 -0.02 -0.01 -0.00 0.00 -0.02 -0.01 0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.15 0.53 -0.15 0.05 -0.00 0.05 -0.08 0.02 -0.01 0.12 -0.20 -0.08 0.05 -0.17 0.17 -0.07 -0.18 0.13 -0.12 -0.01 0.03 -0.11 -0.40 0.08 0.04 0.03 0.08 0.13 0.04 0.14 0.08 0.04 -0.05 -0.02 -0.01 0.01 0.03 0.00 -0.01 0.01 -0.01 -0.00 0.02 -0.00 -0.01 0.02 0.01 -0.00 0.00 -0.02 -0.01 0.00 -0.00 0.00 -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 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -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 0.00 0.01 0.02 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.10 -0.01 0.02 -0.05 0.11 0.04 -0.04 -0.08 -0.02 0.08 0.08 0.01 0.30 -0.17 -0.12 -0.00 0.01 -0.01 0.01 -0.00 0.01 -0.01 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 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 0.00 -0.00 -0.00 -0.23 0.17 0.08 -0.49 0.08 0.14 -0.53 -0.13 0.08 -0.07 0.37 0.13 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.02 -0.03 -0.02 0.02 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 0.07 -0.09 -0.04 -0.08 -0.08 0.16 -0.00 0.03 0.01 -0.04 -0.01 -0.08 -0.02 0.02 -0.00 0.10 0.05 -0.11 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 0.01 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 -0.18 -0.11 0.49 -0.04 0.08 0.03 -0.06 0.07 0.02 0.01 0.01 0.02 -0.06 0.09 -0.18 -0.06 0.30 0.21 -0.09 0.47 0.05 -0.10 -0.41 0.13 -0.02 0.02 0.00 -0.01 0.00 -0.00 0.02 0.01 -0.00 0.01 -0.01 0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.02 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 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 0.03 0.01 -0.08 0.00 0.02 0.04 -0.05 -0.02 0.03 -0.07 -0.03 -0.06 0.02 0.02 0.04 0.03 -0.00 0.00 0.00 -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 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 -0.00 0.01 0.00 0.03 -0.01 0.01 0.02 0.01 -0.02 -0.28 0.31 0.13 0.56 -0.01 -0.13 0.34 -0.06 -0.09 -0.31 0.43 0.20 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.01 0.01 0.01 -0.00 -0.00 0.00 0.03 0.01 -0.02 0.01 -0.01 0.02 0.04 0.01 -0.03 0.02 -0.04 -0.01 -0.00 0.01 -0.02 -0.01 0.02 -0.00 0.01 -0.01 0.01 0.04 0.04 -0.04 -0.00 -0.00 0.01 0.05 0.01 0.07 -0.06 -0.03 -0.02 -0.04 -0.03 0.04 0.04 0.02 0.02 0.00 0.00 -0.01 -0.02 0.02 -0.03 -0.02 -0.04 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 -0.01 0.03 -0.03 0.05 -0.06 -0.00 -0.11 0.13 0.01 0.02 -0.04 0.00 -0.01 0.00 0.02 0.00 -0.01 -0.02 -0.00 -0.03 -0.00 -0.00 0.02 -0.01 -0.41 -0.09 -0.33 -0.25 -0.08 -0.15 0.53 0.26 -0.14 -0.30 0.06 -0.07 -0.21 -0.06 0.17 -0.00 0.00 0.00 0.02 -0.00 -0.00 0.00 -0.00 0.00 -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 0.04 -0.01 0.03 0.03 -0.01 0.01 0.06 0.03 -0.08 0.01 -0.00 -0.00 -0.01 -0.01 -0.00 -0.03 0.01 -0.02 0.01 0.01 0.00 -0.03 -0.02 0.02 0.01 0.00 0.00 -0.03 -0.01 -0.05 0.04 0.02 0.01 0.03 0.02 -0.03 -0.02 -0.01 -0.01 -0.00 -0.00 0.01 0.02 0.05 -0.11 -0.06 -0.08 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 -0.02 0.00 -0.00 -0.12 0.13 -0.01 0.00 -0.06 -0.03 0.01 -0.03 -0.02 -0.03 0.03 0.02 0.00 0.05 -0.01 -0.02 -0.01 0.00 -0.02 -0.01 -0.01 0.25 0.06 0.20 0.17 0.06 0.10 -0.31 -0.15 0.09 -0.40 0.13 -0.17 -0.50 -0.12 0.37 -0.00 -0.00 0.00 0.05 -0.00 -0.01 -0.01 -0.01 0.00 -0.03 0.05 0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.03 0.02 -0.06 -0.00 0.03 -0.00 -0.00 -0.00 -0.03 -0.01 0.06 0.00 0.01 -0.03 -0.02 0.00 0.00 0.08 -0.08 -0.04 -0.10 -0.06 -0.09 0.00 0.02 0.01 0.12 0.05 0.04 -0.06 -0.01 -0.02 0.07 0.02 0.06 -0.00 -0.00 -0.01 -0.02 -0.01 -0.00 0.02 0.01 -0.00 0.02 0.01 0.02 0.00 0.00 0.00 0.05 0.00 -0.01 -0.00 0.02 -0.03 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.13 0.08 -0.16 -0.22 0.31 0.05 0.12 -0.16 -0.01 0.10 -0.34 -0.22 -0.28 0.17 0.25 0.04 0.33 -0.14 -0.16 -0.21 0.01 -0.11 0.02 -0.14 -0.02 0.01 0.01 0.07 0.02 0.04 0.15 0.07 -0.02 0.24 -0.03 0.01 0.02 0.02 -0.04 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.01 0.00 -0.00 0.02 -0.02 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.07 -0.04 -0.00 0.03 -0.07 -0.02 0.00 0.00 0.00 0.02 0.01 -0.05 -0.01 -0.01 0.02 0.01 -0.01 0.01 -0.17 0.19 0.04 -0.14 -0.09 -0.00 -0.01 -0.04 -0.01 0.07 0.08 -0.01 0.10 0.02 0.03 0.11 0.04 0.03 0.01 0.01 0.01 0.01 0.02 -0.00 -0.04 -0.02 0.01 -0.03 -0.01 -0.03 -0.01 -0.00 -0.00 -0.04 -0.00 0.01 0.00 -0.01 0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.14 -0.13 0.04 0.26 -0.40 -0.10 -0.03 0.05 0.00 -0.06 -0.07 -0.34 -0.14 0.05 0.20 0.02 0.45 -0.06 -0.20 -0.07 0.03 -0.14 -0.10 -0.10 -0.02 -0.04 -0.07 -0.12 -0.04 -0.07 -0.14 -0.06 0.01 -0.17 0.02 -0.00 0.05 -0.01 -0.01 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.02 0.02 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 0.00 0.01 0.03 -0.03 -0.02 0.00 0.01 -0.02 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.01 -0.03 -0.03 -0.00 0.00 -0.01 0.00 0.01 0.02 0.01 0.00 0.01 0.01 0.02 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.03 -0.01 -0.01 0.03 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.06 0.03 0.01 -0.01 -0.00 0.01 0.00 0.00 -0.00 -0.11 0.04 0.04 0.03 -0.03 -0.02 0.01 0.01 0.00 -0.04 -0.03 0.00 0.03 0.05 0.01 -0.01 0.00 0.00 0.01 0.01 -0.05 0.04 -0.05 -0.02 -0.03 0.07 0.02 -0.00 -0.01 -0.01 -0.02 0.02 0.01 0.00 -0.00 -0.01 -0.00 -0.01 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.04 -0.13 -0.03 -0.12 -0.14 -0.07 0.05 -0.02 -0.01 0.01 0.03 0.00 -0.02 0.31 -0.48 -0.19 0.49 0.05 -0.09 -0.45 -0.06 0.08 -0.06 0.22 0.08 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.02 -0.02 -0.04 0.03 -0.01 -0.03 0.03 -0.00 -0.00 -0.01 -0.02 0.07 -0.00 0.01 -0.02 -0.02 0.00 -0.01 -0.03 0.15 0.18 0.00 0.00 0.03 -0.00 -0.05 -0.07 -0.02 -0.00 -0.03 -0.10 -0.09 -0.01 0.01 0.00 -0.01 -0.02 -0.00 0.01 -0.05 -0.01 -0.05 0.04 0.02 -0.01 0.04 0.02 0.03 -0.04 -0.01 0.01 0.05 0.01 -0.04 -0.01 0.00 -0.00 -0.03 0.01 0.01 0.02 -0.01 -0.01 0.01 0.00 -0.00 -0.02 -0.01 0.00 0.00 0.02 0.01 -0.00 -0.00 0.00 -0.06 -0.05 0.24 -0.18 0.19 0.06 0.17 -0.30 -0.10 0.00 0.03 0.03 0.10 -0.10 -0.03 -0.01 0.02 0.03 0.00 0.06 0.01 -0.00 -0.04 0.02 -0.14 -0.07 -0.15 0.24 0.07 0.17 0.44 0.23 -0.10 0.13 0.01 -0.03 -0.04 0.00 0.01 0.13 -0.20 -0.08 0.19 0.02 -0.04 -0.23 -0.02 0.05 -0.06 0.12 0.05 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.01 0.00 0.01 -0.01 0.07 0.05 0.00 0.01 -0.02 -0.00 -0.00 0.00 0.00 -0.01 0.01 0.03 -0.03 -0.05 -0.00 -0.00 -0.01 -0.00 0.01 0.02 0.01 -0.00 0.01 0.02 0.02 0.02 -0.00 -0.00 0.00 -0.00 -0.02 0.08 0.07 0.04 -0.04 -0.01 -0.00 -0.01 -0.04 -0.02 -0.01 -0.15 -0.06 -0.05 -0.01 -0.00 0.01 0.01 0.00 -0.01 0.19 -0.09 -0.07 0.06 -0.05 -0.03 0.06 -0.02 -0.02 -0.06 0.06 0.03 -0.09 0.01 0.02 -0.01 0.01 0.00 0.02 0.01 -0.07 0.03 -0.05 -0.02 -0.04 0.10 0.03 -0.01 0.02 -0.01 -0.02 0.02 0.01 0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.00 0.01 -0.00 0.08 0.05 -0.03 0.27 0.06 0.27 0.08 0.05 -0.07 -0.05 -0.00 0.01 0.06 0.01 -0.03 0.12 -0.13 -0.06 0.13 -0.03 -0.03 -0.55 0.04 0.13 -0.32 0.38 0.19 -0.00 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 0.00 -0.09 0.00 0.02 0.07 -0.02 0.02 -0.01 0.05 -0.09 -0.10 -0.06 0.03 0.02 0.00 0.01 0.05 0.03 -0.01 -0.01 0.00 -0.01 0.09 0.05 0.04 -0.01 0.00 -0.00 0.03 0.01 0.01 0.02 0.01 -0.01 -0.04 -0.02 0.01 -0.02 -0.00 -0.03 -0.02 -0.01 0.00 0.01 -0.02 0.02 -0.03 0.01 -0.00 0.01 -0.01 -0.01 0.01 -0.00 -0.00 0.01 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 0.07 0.04 0.06 0.09 0.08 -0.27 -0.06 0.08 -0.12 0.06 -0.00 0.01 -0.03 -0.00 -0.03 0.01 0.02 0.01 -0.00 0.01 0.00 0.01 -0.06 -0.01 -0.08 -0.14 -0.05 -0.08 -0.08 -0.03 -0.01 0.68 -0.13 0.10 -0.48 -0.03 0.19 0.01 -0.01 -0.01 0.01 0.00 -0.00 -0.05 0.00 0.01 -0.02 0.03 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 0.00 0.01 -0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.06 0.09 -0.13 0.06 -0.05 0.08 0.03 0.03 -0.06 0.14 0.09 -0.02 -0.03 -0.01 -0.01 0.04 -0.08 0.04 0.01 -0.01 0.02 -0.11 -0.06 -0.05 0.01 -0.00 0.01 -0.05 -0.02 0.01 -0.01 -0.00 -0.00 0.05 0.03 -0.01 0.02 0.00 0.04 0.01 0.00 -0.01 -0.09 -0.03 0.08 -0.02 0.00 0.01 -0.01 0.01 0.01 -0.01 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.02 -0.07 0.16 -0.27 -0.10 -0.06 0.32 0.10 -0.17 0.27 -0.12 0.06 -0.09 0.07 0.00 0.07 -0.01 -0.04 -0.01 0.01 -0.02 -0.01 -0.03 0.06 0.01 0.06 0.21 0.07 0.13 0.13 0.05 0.01 0.41 -0.11 0.14 -0.41 -0.04 0.18 -0.01 0.00 0.00 -0.01 0.00 0.00 0.05 -0.00 -0.01 0.02 -0.03 -0.01 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.01 0.01 0.00 -0.01 0.00 0.01 0.23 -0.01 -0.01 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.04 -0.05 0.01 -0.00 -0.00 -0.00 0.01 0.01 0.01 -0.00 0.00 0.08 0.04 0.09 -0.01 -0.00 -0.00 -0.04 -0.04 0.11 0.07 0.04 -0.07 -0.02 -0.01 -0.02 -0.05 -0.02 -0.03 -0.20 -0.07 -0.09 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.19 0.08 0.06 -0.05 0.04 0.03 -0.03 0.02 0.02 0.04 -0.06 -0.03 0.05 0.03 -0.00 0.01 -0.04 -0.01 0.03 -0.00 -0.06 0.01 -0.02 -0.02 -0.03 0.05 0.02 0.02 -0.04 0.01 -0.05 0.06 -0.01 -0.00 -0.01 -0.00 0.02 0.00 -0.00 0.01 0.01 0.01 -0.15 -0.01 -0.29 0.46 0.15 0.48 0.01 0.04 -0.07 -0.07 0.01 -0.00 0.03 -0.00 -0.01 0.04 -0.10 -0.05 -0.03 0.04 0.01 0.25 -0.05 -0.07 0.19 -0.18 -0.09 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.01 0.04 0.05 -0.02 0.01 0.00 0.00 0.00 -0.01 0.03 -0.00 0.01 -0.01 -0.01 0.00 0.00 -0.01 -0.07 0.00 -0.06 -0.02 -0.04 0.00 0.02 -0.01 -0.02 -0.04 0.04 0.02 0.02 -0.00 0.03 0.01 0.02 0.01 0.00 0.01 0.01 -0.00 0.00 -0.01 -0.01 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.02 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 -0.09 0.01 0.00 -0.06 0.12 0.07 -0.03 -0.02 -0.02 -0.36 0.57 -0.19 0.37 -0.49 0.21 0.01 0.11 -0.03 -0.08 -0.04 0.01 -0.05 -0.01 -0.06 0.01 0.03 0.02 -0.05 -0.01 -0.03 -0.00 -0.00 -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 -0.00 0.00 -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 0.07 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 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.03 -0.01 -0.04 -0.00 -0.00 -0.00 0.11 0.06 0.00 -0.01 0.00 -0.03 -0.04 -0.02 -0.02 -0.02 -0.01 -0.01 -0.13 -0.07 0.08 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.04 -0.03 -0.00 -0.01 0.04 0.02 0.03 0.01 -0.00 0.04 0.01 -0.01 -0.01 0.04 0.01 -0.02 -0.05 -0.01 0.01 0.01 -0.01 -0.01 0.01 0.00 0.00 0.03 0.01 0.01 -0.02 0.01 -0.03 0.04 -0.02 -0.00 -0.00 0.00 0.01 0.01 -0.00 0.01 0.00 0.01 0.54 0.16 0.50 -0.38 -0.11 -0.33 0.24 0.15 -0.10 -0.00 0.00 0.00 0.00 -0.00 0.01 0.02 -0.01 -0.01 -0.00 0.01 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 0.00 0.00 0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.09 0.04 -0.05 -0.13 0.06 -0.09 0.07 0.07 -0.16 0.01 -0.01 -0.00 -0.00 -0.00 -0.01 0.03 -0.01 0.03 -0.00 -0.00 0.00 -0.01 -0.01 0.04 -0.00 0.00 0.00 0.01 0.01 -0.01 -0.01 -0.00 -0.02 -0.01 -0.00 -0.02 0.02 0.01 -0.01 0.00 -0.00 0.02 -0.00 -0.04 0.07 0.04 -0.13 0.24 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.01 0.01 0.02 0.04 -0.04 -0.01 0.16 -0.17 0.01 -0.01 0.02 0.00 0.02 -0.02 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.04 -0.00 -0.04 0.02 0.01 0.01 -0.01 -0.01 0.00 0.24 -0.08 0.10 0.83 -0.05 -0.07 -0.01 0.02 0.01 0.01 0.00 -0.00 -0.02 0.00 0.01 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 0.01 0.00 0.02 0.01 -0.01 -0.05 0.00 0.00 0.01 0.01 -0.02 0.03 -0.02 0.03 -0.00 -0.02 0.04 0.02 -0.02 -0.06 -0.01 -0.01 0.03 -0.01 0.00 0.02 0.02 -0.01 0.02 -0.04 -0.08 0.34 -0.00 -0.00 -0.01 0.09 0.07 -0.11 -0.10 -0.03 -0.15 -0.10 -0.01 -0.15 0.16 0.09 -0.09 0.03 -0.02 0.21 -0.01 0.01 -0.01 -0.00 0.02 -0.05 -0.05 -0.15 -0.04 -0.01 0.07 0.02 0.08 0.02 -0.01 0.10 0.04 -0.01 -0.03 0.09 0.03 -0.06 -0.09 -0.01 0.10 0.01 -0.28 -0.01 -0.02 -0.06 -0.01 0.04 0.03 -0.11 0.16 -0.10 -0.04 0.08 -0.03 -0.01 0.01 0.03 -0.00 0.04 0.00 0.02 -0.00 0.01 -0.32 -0.05 -0.34 0.24 0.06 0.15 -0.16 -0.07 0.02 -0.08 0.02 -0.02 -0.15 0.01 0.01 -0.04 0.13 0.04 0.14 0.03 -0.03 -0.16 0.03 0.05 0.07 -0.08 -0.04 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.04 0.00 -0.01 -0.00 0.01 -0.01 0.00 -0.00 0.01 0.00 -0.00 0.01 0.01 -0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.01 0.01 0.01 -0.00 0.01 -0.01 -0.02 0.09 -0.00 -0.00 -0.01 0.07 0.04 -0.02 -0.03 -0.00 -0.07 -0.05 -0.02 -0.05 0.03 0.01 -0.02 -0.06 -0.03 0.08 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.05 0.12 0.03 0.05 -0.14 -0.05 -0.17 -0.04 0.03 -0.11 -0.05 0.01 0.02 -0.12 -0.04 0.16 0.26 0.04 0.04 0.01 -0.11 -0.01 0.01 -0.01 -0.00 0.02 0.01 -0.03 0.05 -0.03 -0.03 0.04 -0.02 -0.01 0.01 0.01 0.00 0.02 0.00 0.01 0.00 0.01 0.12 0.05 0.09 -0.03 -0.01 -0.03 0.06 0.05 -0.04 -0.02 0.01 -0.00 -0.01 0.00 0.01 -0.26 0.33 0.14 0.33 -0.01 -0.07 -0.40 -0.08 0.06 0.19 -0.41 -0.16 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 -0.02 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.01 -0.02 0.06 -0.00 -0.00 -0.00 0.04 0.02 -0.02 -0.03 -0.01 -0.04 -0.03 -0.01 -0.03 0.03 0.01 -0.01 -0.02 -0.00 0.05 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.07 0.14 0.03 0.00 -0.02 -0.01 -0.01 -0.01 -0.00 -0.09 -0.01 0.02 0.04 -0.07 -0.03 -0.01 -0.02 -0.00 0.03 0.01 -0.08 -0.01 0.00 -0.01 0.01 -0.00 0.00 -0.02 0.03 -0.03 -0.01 0.02 -0.01 -0.01 0.00 0.01 0.00 0.01 0.00 0.01 0.00 0.01 0.02 0.02 0.01 -0.01 0.00 -0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.22 -0.37 -0.15 -0.42 -0.04 0.08 0.48 0.02 -0.10 -0.27 0.43 0.19 0.00 0.00 0.00 0.00 0.00 -0.00 0.03 -0.01 0.03 -0.00 0.01 0.02 0.00 -0.00 0.00 -0.05 0.08 -0.12 0.01 -0.03 0.05 0.05 -0.04 0.07 -0.02 -0.01 -0.04 0.02 0.03 -0.11 0.04 -0.03 0.05 -0.05 0.01 -0.02 0.01 -0.00 0.02 0.00 0.01 0.04 0.01 0.01 -0.01 -0.00 -0.00 -0.00 -0.02 -0.01 -0.01 0.01 0.01 -0.01 -0.00 -0.00 0.01 -0.05 0.02 -0.03 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.23 -0.05 0.65 -0.23 0.26 -0.08 0.25 -0.25 0.03 0.12 -0.15 0.19 0.10 -0.17 0.07 0.05 -0.03 -0.10 -0.00 -0.12 -0.00 -0.08 0.00 -0.06 -0.01 -0.00 -0.01 0.01 0.00 0.01 -0.04 -0.02 0.01 -0.18 0.05 -0.06 0.03 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.03 -0.02 0.03 -0.01 -0.01 0.01 0.00 -0.00 0.00 0.06 -0.07 0.09 0.01 0.02 -0.03 -0.05 0.04 -0.06 0.05 0.03 -0.06 0.01 0.03 -0.11 -0.06 0.05 -0.02 -0.03 -0.01 0.01 -0.02 -0.01 0.02 -0.00 -0.00 0.04 0.01 0.01 0.00 -0.02 -0.01 -0.02 -0.02 -0.00 -0.02 0.03 0.01 -0.00 -0.01 -0.00 0.02 0.05 -0.03 0.04 -0.03 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.27 0.05 0.68 0.30 -0.38 -0.01 -0.20 0.22 -0.01 0.03 -0.02 0.13 -0.02 0.01 -0.02 0.05 -0.04 -0.11 0.01 -0.09 0.00 -0.07 0.02 -0.07 0.03 0.01 0.03 0.06 0.02 0.05 -0.02 -0.01 0.01 0.08 -0.04 0.06 -0.03 0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.03 -0.01 0.01 0.01 -0.00 -0.03 -0.00 0.00 0.00 -0.01 0.01 -0.01 -0.00 -0.00 0.00 0.01 -0.01 0.01 -0.03 -0.00 0.01 0.01 -0.05 -0.01 0.02 -0.01 0.00 0.04 -0.05 0.07 0.01 0.00 -0.01 -0.04 -0.02 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.01 -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 -0.23 0.63 0.18 -0.07 0.10 0.02 0.01 -0.02 -0.00 -0.21 0.25 -0.20 -0.22 0.40 -0.25 -0.03 -0.02 -0.04 0.11 0.14 0.01 0.07 0.13 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.02 0.01 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.04 0.02 0.01 0.03 0.00 -0.01 -0.03 0.03 -0.05 -0.06 0.02 -0.01 0.00 0.02 -0.01 0.06 -0.12 -0.03 0.00 -0.00 -0.00 0.02 0.00 0.00 0.01 0.01 0.01 0.01 0.01 -0.00 0.00 0.00 0.01 -0.01 -0.01 0.00 0.01 0.01 -0.01 0.00 0.00 -0.01 0.02 -0.04 0.07 -0.05 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 0.02 -0.14 0.06 -0.40 0.51 0.20 -0.28 0.59 0.07 0.02 -0.03 0.01 -0.04 0.06 -0.04 0.02 -0.02 -0.01 -0.02 -0.05 -0.00 -0.03 -0.03 -0.01 -0.03 -0.02 -0.03 -0.01 -0.00 0.01 -0.06 -0.03 0.02 -0.06 -0.03 0.08 0.07 0.01 -0.05 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 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 -0.06 -0.04 0.08 -0.17 0.03 -0.02 0.07 -0.05 0.07 -0.01 0.01 -0.02 -0.00 0.05 -0.02 0.05 -0.05 -0.03 0.00 -0.02 0.02 0.00 -0.00 -0.00 0.02 0.01 0.01 0.01 0.01 0.00 -0.01 -0.00 0.01 -0.02 -0.01 -0.00 0.01 0.01 -0.00 -0.00 0.00 -0.01 -0.09 0.09 -0.15 0.22 -0.03 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.03 -0.25 0.11 0.08 0.01 0.25 -0.20 0.49 0.04 -0.04 0.06 -0.00 -0.09 0.14 -0.09 0.04 -0.05 -0.02 -0.04 -0.09 -0.01 -0.07 -0.07 -0.02 -0.01 -0.01 0.00 0.02 0.00 0.03 -0.05 -0.03 0.02 0.46 0.01 -0.11 -0.24 -0.09 0.23 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.01 0.00 0.03 0.00 -0.00 0.00 0.00 -0.01 0.02 -0.02 0.01 -0.00 0.00 -0.00 0.00 -0.01 0.03 -0.03 0.02 -0.10 0.03 0.01 -0.02 -0.01 -0.02 0.08 -0.06 -0.00 -0.00 -0.01 -0.04 -0.03 -0.02 0.03 0.01 0.01 -0.02 -0.01 0.01 -0.03 -0.01 -0.01 0.03 0.01 0.00 -0.00 0.00 -0.02 -0.01 0.01 -0.01 0.03 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.11 0.55 -0.09 -0.00 0.02 0.07 -0.06 0.20 0.02 0.19 -0.27 0.10 0.25 -0.40 0.26 -0.08 0.14 0.01 0.12 0.20 0.03 0.18 0.21 0.02 0.00 0.00 0.03 0.05 0.01 0.07 -0.08 -0.05 0.04 0.07 -0.01 -0.00 -0.04 -0.01 0.03 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.07 -0.02 0.00 0.00 0.00 -0.01 -0.01 0.01 0.00 0.00 0.01 -0.00 -0.15 0.02 -0.01 -0.01 -0.01 0.01 0.00 -0.00 0.01 0.01 0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.07 -0.29 0.06 -0.00 0.01 -0.00 -0.00 -0.01 0.00 -0.01 0.01 0.01 -0.02 0.05 -0.07 -0.12 0.51 -0.08 -0.00 0.47 0.19 0.22 0.46 -0.27 -0.00 0.00 -0.02 -0.02 -0.00 -0.03 0.03 0.02 -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 0.01 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 0.01 0.00 0.00 0.01 -0.01 0.00 -0.03 0.01 -0.01 0.01 -0.02 0.01 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.06 0.01 -0.04 -0.01 0.01 -0.02 0.00 -0.01 0.03 -0.02 0.03 -0.00 0.13 -0.01 0.02 -0.00 -0.18 -0.07 -0.09 0.11 0.06 -0.04 0.17 0.08 0.00 -0.17 -0.07 -0.05 0.02 -0.02 0.18 -0.01 0.00 -0.01 0.02 -0.00 -0.00 -0.01 -0.02 -0.00 0.03 -0.01 -0.01 -0.03 0.02 0.01 -0.03 0.02 0.01 0.04 -0.01 -0.01 -0.01 -0.02 -0.00 -0.06 0.18 0.03 -0.02 0.02 0.01 -0.10 0.17 0.02 0.07 -0.08 0.06 0.07 -0.13 0.11 0.01 -0.05 -0.01 0.04 -0.04 -0.02 -0.00 -0.02 0.04 -0.03 0.03 -0.20 -0.20 -0.02 -0.39 0.48 0.28 -0.29 0.04 -0.00 0.00 -0.03 -0.01 0.02 -0.01 0.07 0.03 0.08 0.03 -0.01 0.11 0.03 -0.02 -0.02 0.09 0.03 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.03 0.02 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.03 0.00 0.00 -0.00 0.03 0.01 0.03 -0.02 -0.01 0.01 -0.04 -0.01 -0.01 0.03 0.01 0.01 -0.00 -0.00 -0.04 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.07 -0.13 -0.02 0.17 -0.06 -0.06 -0.16 0.10 0.06 -0.13 0.10 0.06 0.16 -0.03 -0.04 -0.06 -0.13 -0.02 0.01 -0.02 -0.01 0.01 -0.01 -0.01 0.00 -0.03 -0.01 -0.01 0.01 -0.01 -0.01 0.01 -0.01 -0.00 -0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.01 -0.00 0.05 0.06 0.00 0.08 -0.08 -0.05 0.05 -0.02 0.01 -0.00 0.00 0.00 0.00 -0.12 0.44 0.15 0.46 0.16 -0.06 0.40 0.15 -0.05 -0.04 0.34 0.11 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.33 -0.03 -0.08 -0.13 0.01 0.02 -0.02 0.03 -0.06 -0.01 -0.02 0.01 -0.00 0.00 -0.00 -0.14 0.03 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 -0.01 -0.18 -0.03 0.10 0.10 -0.00 -0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.26 0.23 0.17 0.61 -0.18 0.04 -0.02 0.01 -0.03 -0.00 0.03 -0.03 0.01 -0.01 -0.02 0.00 0.01 0.01 -0.01 -0.00 -0.01 -0.01 0.00 -0.01 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.28 -0.14 0.17 -0.27 -0.05 0.14 -0.00 0.01 0.00 0.02 0.00 -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 -0.04 0.00 -0.01 0.04 -0.01 0.01 0.01 -0.01 0.01 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.05 -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 0.01 0.01 -0.02 -0.05 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 0.19 -0.09 0.65 0.63 0.30 0.07 -0.00 -0.00 -0.01 -0.00 0.01 -0.01 0.00 -0.01 0.01 -0.01 0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.01 0.00 -0.01 -0.05 0.03 -0.03 0.08 0.02 -0.05 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 -0.02 0.02 -0.03 -0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 -0.00 -0.02 -0.00 -0.04 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.03 -0.08 0.08 -0.00 0.00 0.01 0.01 -0.00 0.00 -0.02 0.04 0.00 -0.03 0.03 0.00 -0.21 0.38 0.34 0.14 -0.40 -0.16 0.47 0.03 0.50 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 -0.00 -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 0.01 0.01 0.00 -0.00 -0.04 -0.00 0.03 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.01 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 0.02 -0.09 -0.03 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.04 -0.09 -0.12 0.12 -0.01 -0.09 0.10 0.22 -0.57 0.66 0.05 -0.05 -0.08 -0.28 0.20 0.02 0.01 0.02 0.02 0.01 0.02 0.02 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.00 0.01 -0.00 -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 -0.00 -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 -0.03 -0.02 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.13 0.08 -0.03 0.01 0.00 -0.00 -0.07 -0.05 0.10 -0.10 -0.03 -0.10 -0.08 -0.01 -0.13 -0.04 -0.03 0.06 0.14 0.05 0.07 -0.01 0.00 -0.00 -0.01 0.00 0.00 0.06 -0.02 -0.02 -0.02 0.06 0.02 -0.06 -0.03 0.00 -0.05 -0.03 0.00 -0.01 0.06 0.02 0.04 -0.02 -0.02 0.01 -0.00 -0.00 -0.03 0.04 0.01 -0.01 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.01 -0.01 -0.01 -0.04 0.07 -0.10 0.00 0.01 -0.00 0.04 -0.04 0.38 0.12 0.36 0.36 0.11 0.28 0.31 0.15 -0.04 0.02 -0.01 0.00 0.02 0.00 -0.01 0.15 -0.19 -0.08 0.20 -0.02 -0.05 0.20 -0.02 -0.05 0.13 -0.17 -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 0.01 -0.02 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.07 0.04 -0.02 0.00 0.00 0.00 -0.05 -0.03 0.05 -0.05 -0.02 -0.05 -0.03 -0.00 -0.05 -0.01 -0.01 0.02 0.06 0.02 0.03 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.11 0.05 0.04 0.01 -0.11 -0.03 0.10 0.05 -0.00 0.14 0.04 -0.02 0.04 -0.13 -0.05 -0.11 0.05 0.04 0.00 -0.00 -0.00 -0.01 0.01 0.02 0.02 -0.00 0.00 0.00 0.01 0.01 -0.02 0.00 0.01 0.00 -0.01 0.00 -0.01 0.01 0.00 -0.01 0.00 -0.01 0.17 0.05 0.17 0.15 0.05 0.11 0.12 0.06 -0.01 -0.01 0.00 0.00 -0.01 -0.00 0.01 -0.27 0.32 0.15 -0.37 0.04 0.09 -0.43 0.02 0.10 -0.26 0.35 0.16 -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 -0.00 -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 -0.01 -0.00 0.00 0.00 -0.03 0.03 0.07 -0.00 -0.00 0.00 0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 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 0.01 -0.01 -0.01 -0.01 0.01 0.00 -0.15 -0.46 -0.47 0.53 0.02 -0.46 -0.02 -0.05 0.14 -0.15 -0.04 0.00 0.02 0.04 -0.03 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -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 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.10 0.05 -0.07 -0.13 -0.00 0.03 -0.18 0.05 -0.06 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 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 -0.09 0.11 0.27 -0.01 -0.05 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.00 -0.01 0.01 0.01 0.01 -0.00 -0.00 0.00 -0.01 -0.00 0.04 -0.03 0.12 0.23 -0.02 0.03 -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 0.01 0.00 0.01 0.01 0.00 0.01 0.00 0.00 -0.00 -0.59 0.06 0.03 -0.48 -0.08 0.29 0.02 -0.03 -0.01 0.01 -0.01 -0.00 0.02 -0.00 -0.00 0.01 -0.03 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.01 -0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.04 -0.00 0.00 0.01 0.00 0.00 -0.00 0.01 -0.01 -0.00 0.01 0.06 -0.31 0.00 -0.00 -0.00 -0.10 -0.07 0.14 0.08 -0.01 0.25 -0.02 0.03 -0.21 0.15 0.11 -0.24 -0.11 -0.11 0.39 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.04 -0.08 -0.02 0.01 0.07 0.02 0.05 0.04 0.00 -0.06 -0.04 0.00 -0.01 -0.07 -0.02 0.05 0.09 0.01 0.01 -0.01 -0.02 -0.01 0.01 -0.01 0.00 -0.05 -0.01 0.00 0.03 0.01 -0.03 0.01 0.01 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.38 -0.15 -0.18 0.18 0.09 -0.04 -0.35 -0.13 -0.10 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.09 -0.06 -0.04 -0.07 0.04 0.02 0.08 -0.04 -0.03 -0.07 0.03 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 -0.03 -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 0.03 0.03 -0.06 0.00 0.00 -0.00 -0.06 -0.03 0.03 -0.02 -0.02 0.03 0.03 0.02 -0.03 0.07 0.04 -0.06 -0.05 -0.02 0.10 -0.01 0.00 -0.00 -0.01 -0.00 0.00 0.08 0.32 0.08 0.09 -0.30 -0.11 0.01 -0.16 -0.05 0.02 0.15 0.04 -0.10 0.30 0.11 -0.07 -0.28 -0.07 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 -0.05 -0.02 0.00 0.00 0.02 -0.05 -0.11 -0.04 -0.01 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.31 0.30 0.16 -0.02 -0.19 -0.05 -0.04 0.16 0.06 0.27 -0.30 -0.15 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.11 0.05 0.06 -0.00 0.00 0.00 -0.14 -0.07 -0.01 -0.18 -0.07 -0.13 0.15 0.05 0.12 0.16 0.07 0.02 -0.08 -0.03 -0.07 -0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.19 -0.10 0.01 0.16 -0.03 -0.04 0.29 0.03 -0.06 -0.28 -0.02 0.06 -0.15 0.03 0.04 0.16 0.09 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 0.02 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 0.18 0.05 0.24 -0.15 -0.03 -0.18 -0.14 -0.09 0.14 0.01 0.00 -0.00 0.01 0.00 -0.00 0.04 0.19 0.05 -0.35 -0.01 0.07 0.34 0.01 -0.08 -0.05 -0.16 -0.04 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.13 0.07 0.02 -0.00 0.00 0.00 -0.19 -0.10 0.00 -0.20 -0.08 -0.11 0.20 0.07 0.13 0.25 0.12 -0.03 -0.18 -0.07 -0.02 0.00 -0.00 0.00 0.00 0.00 -0.00 0.17 0.01 -0.03 -0.13 0.07 0.05 -0.23 -0.00 0.05 0.18 -0.00 -0.04 0.12 -0.05 -0.04 -0.10 -0.03 0.01 0.00 -0.00 -0.00 -0.01 0.01 0.02 0.01 0.01 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.13 0.02 0.24 -0.20 -0.04 -0.27 -0.28 -0.15 0.16 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.03 -0.20 -0.07 0.29 0.03 -0.05 -0.21 -0.03 0.04 0.02 0.13 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.03 -0.04 -0.05 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.09 -0.03 -0.03 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.20 -0.07 0.09 0.49 0.63 0.53 -0.06 -0.01 -0.02 0.01 -0.01 0.04 0.06 -0.05 -0.06 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 -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 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 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 -0.02 -0.01 0.01 0.06 0.07 0.06 0.50 0.11 0.15 -0.05 0.12 -0.44 -0.45 0.36 0.40 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.07 -0.02 -0.03 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.00 0.00 -0.00 0.02 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.88 0.23 0.31 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.12 -0.04 0.06 0.04 0.05 0.04 -0.17 -0.04 -0.05 -0.00 0.01 -0.04 -0.04 0.03 0.04 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 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 -0.08 0.01 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.12 0.03 0.04 0.01 0.00 -0.00 -0.00 -0.00 0.01 -0.09 -0.03 0.05 -0.01 -0.01 -0.01 0.56 0.14 0.19 -0.06 0.10 -0.34 0.44 -0.36 -0.39 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -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 -0.04 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.56 0.46 -0.14 -0.06 -0.12 0.65 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 0.00 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 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.07 -0.03 0.03 -0.00 0.00 0.00 0.01 -0.00 0.04 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.06 0.01 0.02 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.73 0.25 -0.41 0.09 0.12 0.11 -0.18 -0.04 -0.05 -0.04 0.11 -0.37 0.07 -0.05 -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 0.00 -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 -0.03 -0.02 0.01 -0.00 0.00 0.00 -0.04 0.00 -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 0.16 0.04 0.06 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.34 0.12 -0.19 0.06 0.07 0.07 0.48 0.12 0.14 0.08 -0.20 0.68 -0.04 0.03 0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.05 0.04 -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 -0.00 -0.00 -0.50 -0.42 0.11 -0.06 -0.12 0.73 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 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 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -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 -0.00 -0.06 -0.02 -0.00 -0.01 -0.00 0.04 0.03 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.21 -0.14 0.01 -0.00 0.73 0.22 0.00 0.15 0.04 -0.48 -0.30 0.02 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.06 -0.04 0.00 -0.00 -0.02 -0.01 0.00 0.04 0.01 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 -0.01 0.01 0.00 -0.01 0.01 -0.00 0.02 0.00 0.00 -0.00 0.00 -0.00 0.00 0.67 0.44 -0.03 -0.00 0.22 0.06 -0.00 -0.49 -0.14 -0.16 -0.10 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 -0.02 -0.02 0.03 -0.00 -0.00 0.00 -0.02 0.00 -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 0.00 0.00 0.29 0.23 -0.37 0.02 0.02 -0.03 0.28 -0.03 0.80 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 0.02 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 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 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 0.00 -0.04 -0.01 0.00 -0.04 -0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.27 0.17 -0.01 -0.01 0.47 0.14 0.00 0.47 0.14 0.54 0.34 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 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 0.00 -0.00 0.03 0.01 0.00 -0.06 -0.02 0.04 0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.35 0.23 -0.02 0.00 -0.34 -0.10 0.00 0.66 0.19 -0.40 -0.25 0.02 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 0.05 0.03 -0.06 -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 -0.06 -0.05 0.07 -0.57 -0.38 0.70 0.04 -0.00 0.11 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 0.01 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 0.04 0.03 -0.05 -0.01 -0.01 0.01 -0.02 0.00 -0.04 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.47 -0.37 0.59 0.08 0.06 -0.11 0.17 -0.02 0.48 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 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 -0.03 0.03 -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 0.01 -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 -0.11 -0.28 0.57 0.29 -0.35 0.60 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -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 -0.06 0.02 -0.03 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 0.01 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 -0.13 -0.33 0.67 -0.25 0.30 -0.52 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 17 17 8 8 8 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 42 43 44 17 17 8 8 8 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 34.96885 15.99491 15.99491 15.99491 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 405.06470 0.99999 -0.00346 -7.7E-4 0.00347 0.99992 0.01186 7.2E-4 -0.01186 0.99993 asymmetric 1 0.01639 0.00439 0.00402 0.34156 0.09146 0.08381 877992.7 10.59 39.19 53.25 56.38 73.09 89.52 95.47 125.86 137.54 155.21 207.84 228.37 247.93 284.52 299.79 333.56 358.58 362.75 439.44 449.36 477.24 494.04 521.08 542.00 556.85 582.00 615.80 635.65 644.69 668.57 685.21 743.94 772.36 839.69 856.63 924.70 946.72 970.15 975.82 993.07 1003.04 1019.75 1035.69 1076.56 1084.88 1142.40 1183.87 1192.55 1227.26 1231.63 1237.41 1253.06 1263.13 1295.83 1299.56 1330.75 1337.80 1375.27 1375.74 1401.76 1420.03 1424.18 1461.78 1471.64 1476.08 1500.11 1523.17 1558.18 1566.34 1581.46 1622.49 1636.17 1666.37 1668.05 1674.76 1690.03 1719.92 1724.08 1750.26 1766.37 1777.52 1800.36 1805.55 1861.10 1877.22 1882.23 1896.64 1904.10 1928.57 1944.80 1958.05 1974.45 1996.23 2012.95 2035.03 2041.92 2066.82 2103.42 2118.97 2137.27 2155.46 2166.84 2180.93 2188.40 2218.35 2306.15 2329.75 2338.77 2363.45 4329.26 4355.53 4382.76 4453.56 4459.00 4474.27 4482.31 4546.78 4587.58 4593.08 4598.46 4609.08 4610.59 4614.49 4620.06 4669.38 4675.19 0.334410 0.357585 0.358529 0.278186 -2044.609167 -2044.585991 -2044.585047 -2044.665391 224.388 88.956 169.097 0.000 0.000 0.000 0.889 2.981 43.888 0.889 2.981 36.061 222.610 82.994 89.149 1 0.593 1.987 8.619 2 0.593 1.984 6.021 3 0.594 1.982 5.413 4 0.594 1.981 5.300 5 0.595 1.977 4.786 6 0.597 1.972 4.385 7 0.598 1.970 4.259 8 0.601 1.958 3.716 9 0.603 1.952 3.542 10 0.606 1.943 3.307 11 0.616 1.909 2.744 12 0.621 1.893 2.565 13 0.626 1.877 2.410 14 0.637 1.843 2.154 15 0.642 1.828 2.058 16 0.653 1.792 1.865 17 0.662 1.764 1.736 18 0.664 1.759 1.716 19 0.696 1.663 1.387 20 0.701 1.650 1.350 21 0.714 1.612 1.252 22 0.722 1.589 1.196 23 0.736 1.550 1.113 24 0.747 1.520 1.052 25 0.755 1.498 1.012 26 0.770 1.460 0.946 27 0.790 1.409 0.865 28 0.802 1.379 0.821 29 0.807 1.365 0.802 30 0.822 1.328 0.753 31 0.833 1.303 0.720 32 0.872 1.212 0.617 33 0.892 1.169 0.572 34 0.940 1.067 0.479 35 0.953 1.042 0.458 0.726605e+26 25.861299 59.547841 0.133692e+11 10.126106 23.316221 0.100000e+01 0.000000 0.000000 0.320435e+09 8.505740 19.585191 0.169610e+08 7.229452 16.646428 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -2044.9435763 5.871E-9 5.352E-6 0.3344098 0.3575848 -2044.5859915 -2044.5850473 -2044.6653907 0.832571,-2.3962286,1.5636576,-1.102733,0.623307,2.8414758 C01 [X(C19H17Cl2N3O3)] 1.5999707 -1.261763 -0.2041815 -0.0907115 0.0062827 -0.0879036 0.0059193 -0.1095359 0.0697049 -0.2203488 0.1095152 -0.6683168 -0.6937494 0.3034865 0.1524435 0.3811611 -0.2807792 -0.1032848 0.2243089 -0.1194263 -0.1313658 -1.076883 0.4465983 -0.0434066 0.5151976 -0.8814134 0.0736816 0.015448 -0.0867083 -0.4976535 -0.9445491 0.2154501 0.2150824 0.2568311 -0.7048084 -0.0903818 0.2586734 -0.0534264 -0.5705832 -2.5096977 0.3452912 -0.0694025 0.3036412 -0.4351258 -0.1363914 0.2474075 -0.1974982 -0.3307485 -0.4809546 0.2055571 -0.1178243 0.1791727 -0.2456139 -0.0005098 -0.2860994 0.0937911 -0.1565883 -0.413654 0.0157953 0.0658185 -0.1001331 -0.1960741 0.0116457 0.2592185 -0.1158162 -0.1559495 -0.5664516 0.1090555 -0.0147738 0.0657584 -0.485201 0.0727628 -0.1164288 0.1903897 -0.3978705 1.4937546 -0.2140835 -0.0743224 -0.1828695 0.7818554 -0.080128 -0.0062247 -0.0487677 0.6311825 0.668431 -0.2385262 -0.012967 -0.2882028 0.6389678 0.0053809 -0.206858 0.2251601 0.2033552 0.3053749 -0.266246 0.063983 -0.1472792 0.2970596 -0.052283 0.1918285 -0.1252445 0.1546461 0.5020859 -0.1169953 -0.0634469 -0.2784633 0.4778925 0.2008718 -0.0280201 0.0664268 0.2385852 -0.4094653 0.0533368 -0.0344462 0.0050141 -0.1137172 0.0379992 0.0044928 0.05498 -0.3358468 0.0554854 -0.0830286 -0.0266534 0.0068514 -0.1198007 0.0021835 0.0057193 -0.0016402 0.0890391 0.2803639 0.0186675 0.200766 0.0611613 -0.0004292 -0.0969436 0.1922598 -0.1890371 0.9740467 0.0207423 0.0495111 0.0589544 0.0572915 -0.0613553 -0.0218359 0.0639114 -0.0258423 0.0321467 -0.3466107 0.0597509 -0.1151436 -0.0456983 -0.0800658 0.0109757 -0.3436936 0.0058504 -0.2997211 -0.3561041 0.0132323 0.0235045 -0.0261075 -0.0951968 -0.0288024 0.0919853 0.016117 0.038342 1.7717791 -0.0103661 0.1905149 0.3748679 0.0502481 -0.0459598 0.4452349 -0.0510816 0.3030522 0.57762 -0.2840217 0.0734674 -0.1646597 0.1306918 -0.0465413 0.1223568 -0.015599 0.086108 0.2599534 0.0470717 -0.0766852 0.0265217 0.138869 -0.1857505 -0.1490526 -0.2446787 0.3293542 1.494804 -0.4414327 -0.142807 -0.8041681 0.3771054 0.0896846 -0.6565642 0.1843257 0.0937802 -0.2129765 -0.0182445 -0.014869 0.2656676 -0.1370969 -0.0045225 0.1278389 -0.0233541 -0.095145 -0.2681523 0.1254279 0.0273171 0.0314258 0.0068999 0.0729146 -0.01477 0.0631085 -0.0956663 -0.0555212 0.1127972 0.0400282 0.0455752 -0.0034117 0.0217146 0.0077483 0.0230893 -0.0859396 -0.0938776 0.0744156 0.0178566 0.1396767 -0.0250013 0.0173371 0.0527037 0.0219466 -0.1038068 0.7999445 -0.5144125 -0.2759309 -0.6090901 0.2599386 0.1642946 -0.3313898 0.179914 0.062887 -0.18613 0.0291793 -0.0547747 0.0039768 -0.0189332 -0.0101642 -0.0611269 -0.0044715 0.0069369 -0.0312449 0.013172 -0.0272845 -0.0715495 0.0016665 -0.0091921 -0.0059934 0.033672 0.0895187 0.0540857 0.0483733 0.0601055 0.0609479 0.0577386 0.0382503 0.0086906 0.0198651 0.0005408 -0.1175786 0.0060988 0.0912164 -0.0241902 0.0364247 0.0258318 0.0507267 -0.0023724 0.0358418 -0.0085084 -0.0629905 -0.0899833 -0.0042212 -0.0677076 -0.0760889 -0.0334206 -0.0659699 -0.0313798 -0.0829689 -0.0307906 -0.0529588 -0.0184542 0.0497327 0.0134331 -0.0804866 0.0124291 0.0206718 0.0829526 -0.024795 0.0045737 -0.002809 0.0222225 0.0275549 -0.0208966 0.0906276 -0.081042 -0.0354757 0.0860003 0.0706131 0.0730128 -0.0215174 -0.0361465 0.091867 -0.0854758 0.0131169 0.091133 -0.0185689 0.0307502 -0.0420276 0.1025352 0.0263023 0.0375396 0.0215436 0.0465445 0.0603482 -0.042066 0.024166 -0.0458516 0.1237374 0.0092658 0.0590323 0.0125514 0.055512 0.0791283 -0.0214309 -0.0443143 -0.0071321 0.1215276 0.0348017 -0.0537779 0.0208574 -0.0061535 0.0847974 -0.0063089 0.0018476 0.0100745 0.1344559 0.0786303 0.0034387 0.0682506 0.0667367 0.0761839 0.0288371 -0.0106604 0.0163367 0.0958213 0.0526746 -0.005677 0.0709919 0.0343733 0.0743681 0.0216228 0.0261572 0.0048906 0.1104507 -0.0123699 0.037889 -0.0038101 0.0897026 0.0824233 0.0078935 0.0143674 -0.0033006 -0.0206441 -0.0620989 0.0093921 -0.0604338 0.1128548 0.0987623 -0.0049938 0.0010997 0.0123865 0.0083148 -0.0421704 0.0023055 -0.0450291 0.106785 -0.0332568 -0.0436034 -0.004075 -0.0371531 0.0792729 -0.0163307 0.0088114 -0.0197201 0.1281158 355.2447166|-21.8954539|234.1560091|1.9188816|0.7109962|221.1621413 -0.000001636 0.000000971 -0.000002980 -0.000005778 0.000003279 0.000001739 -0.000001210 0.000002509 0.000001162 -0.000002173 0.000010921 -0.000002905 -0.000009873 0.000010333 0.000002675 -0.000005801 -0.000004825 -0.000004939 -0.000002695 -0.000000299 0.000004813 0.000000941 -0.000000715 0.000002999 -0.000008912 -0.000001724 0.000004059 0.000003871 -0.000003668 -0.000006891 0.000003189 -0.000006162 -0.000001592 0.000005850 -0.000013513 0.000003335 0.000005728 0.000000453 0.000018210 0.000001540 -0.000000364 0.000000965 0.000011943 0.000004666 -0.000002113 -0.000010072 -0.000000657 -0.000012682 -0.000014084 -0.000001995 -0.000015062 0.000008772 0.000006182 0.000000228 0.000001447 -0.000003510 0.000014881 0.000003447 0.000002714 -0.000000228 0.000002574 -0.000000324 0.000001278 0.000016890 -0.000016349 -0.000010087 -0.000009223 0.000008091 0.000001254 0.000003128 -0.000001601 -0.000000563 0.000002522 0.000006914 0.000002596 -0.000003332 0.000006143 0.000001502 0.000004996 -0.000008895 -0.000004001 -0.000002007 0.000002672 0.000001423 0.000001531 0.000000262 0.000003574 -0.000000518 0.000001336 0.000000621 -0.000000656 0.000001856 0.000000176 -0.000000523 0.000002519 0.000000166 -0.000000214 0.000001782 -0.000001445 -0.000000365 -0.000002774 -0.000002098 -0.000001495 -0.000002424 -0.000001382 -0.000000513 0.000000727 0.000000457 0.000003142 -0.000001091 0.000001373 0.000000772 0.000001366 -0.000000531 -0.000000775 -0.000002930 0.000001257 -0.000000277 0.000001154 0.000001329 0.000003270 -0.000003145 -0.000000288 -0.000001657 -0.000000226 -0.000001982 0.000000487 0.000000658 0.000000600 -0.000002250 -0.000000318 -0.000000902 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 5-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 126 C1[X(C19H17Cl2N3O3)] 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 0 0 0 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/difenoconazole_RR/gas/CONF49/ #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 difenoconazole_RR CONF49 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 42 43 44 35 35 16 16 16 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 34.9688527 15.9949146 15.9949146 15.9949146 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 3 0 0 0 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 14.2400000 5.6000000 5.6000000 5.6000000 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 739 A 712 A 712 1142 739 105 105 2824.4803273103 44 44 44 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 -0.0578385010 0.000000 8.644119 0.000000 3.030138 10.904135 0.000000 4.576972 10.881277 2.247896 0.000000 5.078915 5.912314 6.509887 6.344979 0.000000 3.948135 8.617567 3.656547 3.190272 5.758595 0.000000 5.161236 8.814326 4.518426 3.334148 5.996589 1.359037 0.000000 4.868149 6.673137 5.569878 5.038751 5.057660 2.195096 2.265251 0.000000 3.198692 10.005623 1.416056 1.413746 5.712238 2.506176 3.198740 4.374866 0.000000 4.167369 11.912934 1.442604 2.349586 7.016867 4.789462 5.395423 6.682468 2.318488 0.000000 3.464949 9.733977 2.382451 2.412091 6.328008 1.450033 2.452649 3.597712 1.548030 3.578017 0.000000 4.954382 11.760377 2.345065 1.429093 6.738241 4.523239 4.740202 6.316244 2.267975 1.545789 3.591415 0.000000 2.774561 8.803784 2.467586 2.433464 4.185191 2.799566 3.425650 3.950311 1.538111 3.180094 2.547512 3.030742 0.000000 4.189829 11.963952 2.442742 3.573562 6.767150 5.806257 6.481930 7.455835 3.341973 1.520304 4.718463 2.573904 3.609436 0.000000 1.764577 8.034272 3.063449 3.752674 3.662431 3.388709 4.279437 4.092140 2.592533 3.950461 3.249581 4.206641 1.401588 4.010075 0.000000 4.044566 8.583296 3.633472 2.749132 3.652077 3.311723 3.404727 3.994726 2.525951 3.995840 3.464627 3.324875 1.398034 4.363136 2.390178 0.000000 2.685705 6.977158 4.421883 4.865942 2.400123 4.258782 4.964722 4.282836 3.865052 5.166926 4.461453 5.279409 2.437520 5.000962 1.389556 2.772209 0.000000 4.540668 7.609521 4.840908 4.135964 2.387765 4.198978 4.227388 4.190226 3.823029 5.204632 4.624069 4.602916 2.439678 5.293934 2.779209 1.390000 2.415339 0.000000 3.991589 6.724894 5.149721 5.008236 1.379601 4.584749 4.919830 4.304934 4.334788 5.693591 5.015692 5.437611 2.805714 5.570503 2.399220 2.393239 1.391507 1.387724 0.000000 3.743070 7.372158 4.456568 4.329560 5.184579 1.352696 2.213454 1.320526 3.418875 5.688675 2.519931 5.560869 3.192888 6.478161 3.259923 3.679935 3.795977 4.167555 4.194302 0.000000 5.552189 7.693216 5.528798 4.475961 5.567106 2.091684 1.321587 1.364711 4.194268 6.464116 3.482059 5.824938 4.002268 7.397445 4.577803 3.785684 4.923652 4.190441 4.723074 2.096525 0.000000 5.509752 4.528737 7.297515 7.182384 1.385973 5.977636 6.222379 4.807951 6.438589 7.997198 6.762073 7.762006 4.978389 7.858253 4.319066 4.563064 3.041219 3.384286 2.369413 5.131092 5.538138 0.000000 5.364202 4.028692 7.142868 6.956890 2.443621 5.188941 5.405848 3.678929 6.166606 8.023560 6.176671 7.766838 4.870090 8.127830 4.290267 4.558729 3.276823 3.626327 2.830714 4.181281 4.550779 1.394764 0.000000 6.567540 4.023661 8.551424 8.528108 2.360091 7.340649 7.593965 6.068413 7.770139 9.215099 8.115065 9.031037 6.288065 8.938046 5.525828 5.879541 4.174566 4.638684 3.593797 6.428819 6.848339 1.393429 2.423565 0.000000 6.322659 2.730555 8.293761 8.156802 3.697743 6.029870 6.228962 4.206907 7.324321 9.269949 7.128377 9.050561 6.123780 9.415775 5.484534 5.882601 4.518267 4.999631 4.212570 4.865956 5.202425 2.406993 1.393626 2.790309 0.000000 7.372676 2.730210 9.533228 9.530335 3.643602 7.956280 8.198317 6.401431 8.716375 10.317557 8.860095 10.154361 7.301424 10.122901 6.497252 6.954713 5.207237 5.774472 4.758873 6.893472 7.295688 2.408700 2.797483 1.390681 2.421141 0.000000 7.253982 1.761148 9.408013 9.356209 4.151466 7.375657 7.592481 5.596376 8.510641 10.331343 8.415104 10.152586 7.220320 10.326257 6.468392 6.945420 5.337027 5.912561 4.994748 6.211061 6.572965 2.767598 2.407986 2.403637 1.390222 1.392834 0.000000 4.882239 12.864600 2.039335 2.966479 8.095849 5.383476 5.988955 7.415998 3.075678 1.093267 4.043609 2.190409 4.171748 2.161535 4.914696 5.012976 6.183097 6.264540 6.763597 6.370595 7.149695 9.046342 9.015561 10.272027 10.227076 11.349200 11.318247 0.000000 4.444840 10.652586 2.781343 2.455510 7.303573 2.083663 2.666540 4.254249 2.151680 3.750843 1.088560 3.645208 3.434089 5.102170 4.287797 4.193900 5.513955 5.442201 5.985950 3.319613 3.876753 7.757662 7.135690 9.126243 8.056240 9.861454 9.374242 3.967371 0.000000 2.892671 9.691905 2.440185 3.281599 6.578867 2.065985 3.313424 3.933292 2.147745 3.834171 1.088378 4.242632 2.979243 4.822577 3.240025 4.137344 4.483109 5.177467 5.301335 2.667365 4.145862 6.925203 6.327963 8.216943 7.194712 8.901491 8.437511 4.215851 1.781547 0.000000 5.975587 12.721702 3.173932 2.044429 7.715915 5.213019 5.265488 7.069730 3.162478 2.220329 4.267028 1.089562 4.066438 3.270130 5.282025 4.232708 6.351358 5.502488 6.439399 6.365276 6.425919 8.747600 8.726546 10.023660 9.999129 11.146951 11.125694 2.390488 4.058830 4.968270 0.000000 5.123740 11.457491 3.008518 2.084832 6.124911 4.952657 5.084233 6.472399 2.780106 2.192517 4.239184 1.096864 2.975808 2.600765 4.102863 2.933159 4.948994 4.025165 4.915129 5.841747 6.007907 7.260582 7.432781 8.468949 8.773984 9.665481 9.790103 3.016023 4.473319 4.901291 1.784597 0.000000 3.790026 11.077473 2.708896 3.615375 5.741473 5.572589 6.222497 6.970480 3.249778 2.159462 4.702056 2.802397 3.035802 1.092675 3.305494 3.665633 4.107157 4.408323 4.602023 6.087381 6.987093 6.875289 7.246097 7.916331 8.559648 9.133570 9.408240 3.067853 5.270686 4.847687 3.688335 2.480945 0.000000 4.004040 12.179144 2.707854 4.356598 7.220580 6.216423 7.061322 7.867094 3.870044 2.158960 5.055201 3.512205 4.165513 1.091369 4.268978 5.120214 5.271685 5.991368 6.057378 6.784762 7.954845 8.232095 8.490467 9.255415 9.717388 10.392487 10.590327 2.489015 5.470472 4.923025 4.174949 3.665779 1.772980 0.000000 5.268731 12.832846 3.387797 4.126302 7.419809 6.698944 7.245458 8.358181 4.201223 2.159533 5.618788 2.860260 4.476993 1.094620 4.979445 5.009838 5.869867 5.898566 6.287320 7.441721 8.193441 8.598376 8.956880 9.640140 10.281146 10.880716 11.159452 2.516797 5.891245 5.814127 3.268374 2.735508 1.776822 1.773730 0.000000 4.902263 9.338965 3.858486 2.325334 4.527329 3.472909 3.220270 4.339863 2.673250 4.007088 3.589394 2.959415 2.131403 4.593208 3.366129 1.081645 3.853132 2.144565 3.375119 4.129868 3.779630 5.425814 5.355383 6.737116 6.635162 7.790786 7.736890 4.928625 4.064844 4.460896 3.666853 2.594898 4.060837 5.476574 5.091526 0.000000 2.799793 6.545222 5.125232 5.844971 2.635200 5.000610 5.812767 4.824144 4.739656 5.930747 5.207192 6.220607 3.417340 5.628439 2.153292 3.853737 1.081706 3.392756 2.147388 4.334887 5.666724 2.969737 3.294574 3.849760 4.342810 4.780300 4.975388 6.902876 6.287123 5.039224 7.305048 5.913297 4.746462 5.723602 6.518081 4.934387 0.000000 5.621790 7.686920 5.761845 4.751537 2.608410 4.913341 4.670339 4.678109 4.683645 5.994188 5.456955 5.187825 3.423480 6.089099 3.861385 2.162152 3.390615 1.082443 2.139267 4.903795 4.504089 3.560392 3.884076 4.690384 5.188502 5.814278 6.012439 7.037375 6.180230 6.109211 5.967571 4.508872 5.206861 6.868462 6.568501 2.493814 4.277934 0.000000 3.081844 7.186031 4.445865 4.834789 5.213250 2.138868 3.239989 2.148599 3.684875 5.781047 2.845541 5.926651 3.389475 6.421802 3.034983 4.143725 3.553741 4.548195 4.266376 1.079091 3.155120 5.090137 4.194856 6.300913 4.804247 6.722717 6.063629 6.448513 3.751660 2.572911 6.805848 6.213573 6.026800 6.563629 7.452981 4.775161 3.861849 5.403492 0.000000 6.568772 7.746105 6.461721 5.163271 5.931231 3.132259 2.100647 2.154761 5.085763 7.286292 4.470001 6.482916 4.841345 8.218950 5.473521 4.368469 5.675406 4.607662 5.251958 3.137407 1.079160 5.841163 4.848775 7.083443 5.390729 7.462340 6.710807 7.975618 4.751061 5.195893 6.996847 6.588887 7.778529 8.849527 8.946651 4.213623 6.426828 4.675663 4.167255 0.000000 4.820404 4.870761 6.322964 6.025904 2.727197 4.132159 4.326175 2.659939 5.260654 7.247326 5.178574 6.939596 4.073662 7.513259 3.678528 3.796687 2.954147 3.103556 2.579806 3.172743 3.504378 2.167894 1.082817 3.412505 2.140217 3.880140 3.383354 8.205745 6.104362 5.400885 7.869960 6.698884 6.708431 7.917648 8.364646 4.537542 3.247365 3.481551 3.338244 3.896118 0.000000 6.951326 4.888512 8.868192 8.885478 2.551671 8.038429 8.301332 6.947760 8.176195 9.397442 8.693164 9.230764 6.652228 8.960486 5.888924 6.203704 4.504479 4.914513 3.882277 7.222934 7.653452 2.141346 3.396616 1.082892 3.873025 2.158476 3.393803 10.469795 9.708870 8.804879 10.217746 8.572466 7.899565 9.277384 9.578391 7.057868 4.160802 4.907427 7.082385 7.896676 4.299026 0.000000 6.556232 2.873657 8.445525 8.266378 4.583596 5.810824 5.972660 3.804426 7.432855 9.515591 7.013793 9.287397 6.396669 9.812434 5.841199 6.230038 5.077868 5.525864 4.880288 4.586571 4.853653 3.388247 2.146993 3.872663 1.082362 3.402398 2.152244 10.414514 7.872980 7.062331 10.197803 9.122725 9.033270 10.102674 10.718163 6.905390 4.964307 5.745294 4.566116 5.004558 2.456233 4.955365 0.000000 8.275781 2.864973 10.514866 10.559302 4.510622 9.032061 9.279552 7.468263 9.741786 11.269985 9.916188 11.133133 8.307073 10.993691 7.461067 7.955664 6.139457 6.738576 5.705596 7.958018 8.366233 3.393378 3.879806 2.151979 3.399357 1.082351 2.150478 12.307566 10.926582 9.930427 12.130675 10.605787 9.984025 11.233827 11.724965 8.794214 5.632896 6.730687 7.749872 8.503876 4.962412 2.497307 4.293226 0.000000 C19H17Cl2N3O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3415609 0.0914625 0.0838149 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= 712 RedAO= T EigKep= 1.31D-06 NBF= 712 NBsUse= 708 1.00D-06 EigRej= 9.13D-07 NBFU= 708 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= 724 724 724 724 724 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 1 1 -2044.94357631596 -2044.94357632 1 2.038246388821e+03 -1.045685442816e+04 3.549241974219e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830043202 LenY= 2829496342 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. PT564S Mon Jul 5 20:57:37 2021 GINC-CIBELES20 PAULAPLA 05-Jul-2021 0 Wavefunction difenoconazole_RR CONF49 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-2044.9435763 RMSD=6.741e-09 Dipole=1.5999723,-1.2617626,-0.2041833 Quadrupole=0.8325642,-2.3962276,1.5636634,-1.1027249,0.6233061,2.8414756 PG=C01 [X(C19H17Cl2N3O3)] 0 1.1954805404 -1.2132923151 2.4263223842 0 -6.6908782144 1.6176688715 0.3022230025 0 3.9050824153 -0.8202981256 1.1281115029 0 4.045719471 0.2640545585 -0.8359247978 0 -2.0095550779 -1.5102649883 -1.5024095962 0 1.9046184177 2.1843687429 0.5446232081 0 1.9840385337 2.8756776648 -0.6227521937 0 -0.1405552713 2.8844148579 0.1629885072 0 3.1913261178 0.0513019362 0.2701610387 0 4.7649441812 -1.6506328119 0.3204676588 0 3.0129163322 1.3867309726 1.0325230683 0 4.6946327262 -0.9868076154 -1.0737550298 0 1.8361057043 -0.5183132743 -0.1822773456 0 4.3039346464 -3.0991618298 0.344094147 0 0.8800040914 -1.0420521467 0.6986407089 0 1.4587422319 -0.3664646436 -1.5198262273 0 -0.3951280651 -1.3895220458 0.2694921107 0 0.1890058557 -0.7058850976 -1.9722238594 0 -0.738869455 -1.1979849234 -1.0652162812 0 0.6265925059 2.1951261908 0.9877033363 0 0.7388337129 3.2802806812 -0.8026208411 0 -3.0633490373 -0.7395940335 -1.037106918 0 -2.8991728221 0.5578200677 -0.5522064879 0 -4.3303734644 -1.3133196075 -1.1215656536 0 -4.0175989732 1.2797442891 -0.1397235344 0 -5.445568319 -0.5891415162 -0.71425878 0 -5.2800022403 0.7033360741 -0.222246043 0 5.7670569462 -1.5602266853 0.7480543783 0 3.9371601911 1.9546029262 0.9416552406 0 2.8254470321 1.1509614827 2.0783890218 0 5.6714574003 -0.7772242657 -1.508535942 0 4.1088337989 -1.5982884743 -1.7709221304 0 3.2868920852 -3.1815726041 -0.0467668938 0 4.3160508654 -3.486333315 1.3644063477 0 4.9660106162 -3.7182415673 -0.2695732683 0 2.1730396732 0.0752879316 -2.201433702 0 -1.1291795791 -1.7682212399 0.9679499023 0 -0.1014209998 -0.5580472988 -3.0044439241 0 0.317023582 1.6917119259 1.8905758447 0 0.4543310571 3.8829309158 -1.6514181017 0 -1.9225115546 1.0215731715 -0.4925465948 0 -4.4289840477 -2.3210537424 -1.5054964448 0 -3.8971228067 2.287392492 0.236625182 0 -6.4343823015 -1.0252941959 -0.7734275926 Gaussian 16 5-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 126 C1[X(C19H17Cl2N3O3)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td=(singlets,nstates=10) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/difenoconazole_RR/gas/CONF49/ #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 difenoconazole_RR CONF49 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 42 43 44 35 35 16 16 16 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 34.9688527 15.9949146 15.9949146 15.9949146 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 3 0 0 0 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 14.2400000 5.6000000 5.6000000 5.6000000 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 739 A 712 A 712 1142 739 105 105 2824.4803273103 44 44 44 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 -0.0578385010 0.000000 8.644119 0.000000 3.030138 10.904135 0.000000 4.576972 10.881277 2.247896 0.000000 5.078915 5.912314 6.509887 6.344979 0.000000 3.948135 8.617567 3.656547 3.190272 5.758595 0.000000 5.161236 8.814326 4.518426 3.334148 5.996589 1.359037 0.000000 4.868149 6.673137 5.569878 5.038751 5.057660 2.195096 2.265251 0.000000 3.198692 10.005623 1.416056 1.413746 5.712238 2.506176 3.198740 4.374866 0.000000 4.167369 11.912934 1.442604 2.349586 7.016867 4.789462 5.395423 6.682468 2.318488 0.000000 3.464949 9.733977 2.382451 2.412091 6.328008 1.450033 2.452649 3.597712 1.548030 3.578017 0.000000 4.954382 11.760377 2.345065 1.429093 6.738241 4.523239 4.740202 6.316244 2.267975 1.545789 3.591415 0.000000 2.774561 8.803784 2.467586 2.433464 4.185191 2.799566 3.425650 3.950311 1.538111 3.180094 2.547512 3.030742 0.000000 4.189829 11.963952 2.442742 3.573562 6.767150 5.806257 6.481930 7.455835 3.341973 1.520304 4.718463 2.573904 3.609436 0.000000 1.764577 8.034272 3.063449 3.752674 3.662431 3.388709 4.279437 4.092140 2.592533 3.950461 3.249581 4.206641 1.401588 4.010075 0.000000 4.044566 8.583296 3.633472 2.749132 3.652077 3.311723 3.404727 3.994726 2.525951 3.995840 3.464627 3.324875 1.398034 4.363136 2.390178 0.000000 2.685705 6.977158 4.421883 4.865942 2.400123 4.258782 4.964722 4.282836 3.865052 5.166926 4.461453 5.279409 2.437520 5.000962 1.389556 2.772209 0.000000 4.540668 7.609521 4.840908 4.135964 2.387765 4.198978 4.227388 4.190226 3.823029 5.204632 4.624069 4.602916 2.439678 5.293934 2.779209 1.390000 2.415339 0.000000 3.991589 6.724894 5.149721 5.008236 1.379601 4.584749 4.919830 4.304934 4.334788 5.693591 5.015692 5.437611 2.805714 5.570503 2.399220 2.393239 1.391507 1.387724 0.000000 3.743070 7.372158 4.456568 4.329560 5.184579 1.352696 2.213454 1.320526 3.418875 5.688675 2.519931 5.560869 3.192888 6.478161 3.259923 3.679935 3.795977 4.167555 4.194302 0.000000 5.552189 7.693216 5.528798 4.475961 5.567106 2.091684 1.321587 1.364711 4.194268 6.464116 3.482059 5.824938 4.002268 7.397445 4.577803 3.785684 4.923652 4.190441 4.723074 2.096525 0.000000 5.509752 4.528737 7.297515 7.182384 1.385973 5.977636 6.222379 4.807951 6.438589 7.997198 6.762073 7.762006 4.978389 7.858253 4.319066 4.563064 3.041219 3.384286 2.369413 5.131092 5.538138 0.000000 5.364202 4.028692 7.142868 6.956890 2.443621 5.188941 5.405848 3.678929 6.166606 8.023560 6.176671 7.766838 4.870090 8.127830 4.290267 4.558729 3.276823 3.626327 2.830714 4.181281 4.550779 1.394764 0.000000 6.567540 4.023661 8.551424 8.528108 2.360091 7.340649 7.593965 6.068413 7.770139 9.215099 8.115065 9.031037 6.288065 8.938046 5.525828 5.879541 4.174566 4.638684 3.593797 6.428819 6.848339 1.393429 2.423565 0.000000 6.322659 2.730555 8.293761 8.156802 3.697743 6.029870 6.228962 4.206907 7.324321 9.269949 7.128377 9.050561 6.123780 9.415775 5.484534 5.882601 4.518267 4.999631 4.212570 4.865956 5.202425 2.406993 1.393626 2.790309 0.000000 7.372676 2.730210 9.533228 9.530335 3.643602 7.956280 8.198317 6.401431 8.716375 10.317557 8.860095 10.154361 7.301424 10.122901 6.497252 6.954713 5.207237 5.774472 4.758873 6.893472 7.295688 2.408700 2.797483 1.390681 2.421141 0.000000 7.253982 1.761148 9.408013 9.356209 4.151466 7.375657 7.592481 5.596376 8.510641 10.331343 8.415104 10.152586 7.220320 10.326257 6.468392 6.945420 5.337027 5.912561 4.994748 6.211061 6.572965 2.767598 2.407986 2.403637 1.390222 1.392834 0.000000 4.882239 12.864600 2.039335 2.966479 8.095849 5.383476 5.988955 7.415998 3.075678 1.093267 4.043609 2.190409 4.171748 2.161535 4.914696 5.012976 6.183097 6.264540 6.763597 6.370595 7.149695 9.046342 9.015561 10.272027 10.227076 11.349200 11.318247 0.000000 4.444840 10.652586 2.781343 2.455510 7.303573 2.083663 2.666540 4.254249 2.151680 3.750843 1.088560 3.645208 3.434089 5.102170 4.287797 4.193900 5.513955 5.442201 5.985950 3.319613 3.876753 7.757662 7.135690 9.126243 8.056240 9.861454 9.374242 3.967371 0.000000 2.892671 9.691905 2.440185 3.281599 6.578867 2.065985 3.313424 3.933292 2.147745 3.834171 1.088378 4.242632 2.979243 4.822577 3.240025 4.137344 4.483109 5.177467 5.301335 2.667365 4.145862 6.925203 6.327963 8.216943 7.194712 8.901491 8.437511 4.215851 1.781547 0.000000 5.975587 12.721702 3.173932 2.044429 7.715915 5.213019 5.265488 7.069730 3.162478 2.220329 4.267028 1.089562 4.066438 3.270130 5.282025 4.232708 6.351358 5.502488 6.439399 6.365276 6.425919 8.747600 8.726546 10.023660 9.999129 11.146951 11.125694 2.390488 4.058830 4.968270 0.000000 5.123740 11.457491 3.008518 2.084832 6.124911 4.952657 5.084233 6.472399 2.780106 2.192517 4.239184 1.096864 2.975808 2.600765 4.102863 2.933159 4.948994 4.025165 4.915129 5.841747 6.007907 7.260582 7.432781 8.468949 8.773984 9.665481 9.790103 3.016023 4.473319 4.901291 1.784597 0.000000 3.790026 11.077473 2.708896 3.615375 5.741473 5.572589 6.222497 6.970480 3.249778 2.159462 4.702056 2.802397 3.035802 1.092675 3.305494 3.665633 4.107157 4.408323 4.602023 6.087381 6.987093 6.875289 7.246097 7.916331 8.559648 9.133570 9.408240 3.067853 5.270686 4.847687 3.688335 2.480945 0.000000 4.004040 12.179144 2.707854 4.356598 7.220580 6.216423 7.061322 7.867094 3.870044 2.158960 5.055201 3.512205 4.165513 1.091369 4.268978 5.120214 5.271685 5.991368 6.057378 6.784762 7.954845 8.232095 8.490467 9.255415 9.717388 10.392487 10.590327 2.489015 5.470472 4.923025 4.174949 3.665779 1.772980 0.000000 5.268731 12.832846 3.387797 4.126302 7.419809 6.698944 7.245458 8.358181 4.201223 2.159533 5.618788 2.860260 4.476993 1.094620 4.979445 5.009838 5.869867 5.898566 6.287320 7.441721 8.193441 8.598376 8.956880 9.640140 10.281146 10.880716 11.159452 2.516797 5.891245 5.814127 3.268374 2.735508 1.776822 1.773730 0.000000 4.902263 9.338965 3.858486 2.325334 4.527329 3.472909 3.220270 4.339863 2.673250 4.007088 3.589394 2.959415 2.131403 4.593208 3.366129 1.081645 3.853132 2.144565 3.375119 4.129868 3.779630 5.425814 5.355383 6.737116 6.635162 7.790786 7.736890 4.928625 4.064844 4.460896 3.666853 2.594898 4.060837 5.476574 5.091526 0.000000 2.799793 6.545222 5.125232 5.844971 2.635200 5.000610 5.812767 4.824144 4.739656 5.930747 5.207192 6.220607 3.417340 5.628439 2.153292 3.853737 1.081706 3.392756 2.147388 4.334887 5.666724 2.969737 3.294574 3.849760 4.342810 4.780300 4.975388 6.902876 6.287123 5.039224 7.305048 5.913297 4.746462 5.723602 6.518081 4.934387 0.000000 5.621790 7.686920 5.761845 4.751537 2.608410 4.913341 4.670339 4.678109 4.683645 5.994188 5.456955 5.187825 3.423480 6.089099 3.861385 2.162152 3.390615 1.082443 2.139267 4.903795 4.504089 3.560392 3.884076 4.690384 5.188502 5.814278 6.012439 7.037375 6.180230 6.109211 5.967571 4.508872 5.206861 6.868462 6.568501 2.493814 4.277934 0.000000 3.081844 7.186031 4.445865 4.834789 5.213250 2.138868 3.239989 2.148599 3.684875 5.781047 2.845541 5.926651 3.389475 6.421802 3.034983 4.143725 3.553741 4.548195 4.266376 1.079091 3.155120 5.090137 4.194856 6.300913 4.804247 6.722717 6.063629 6.448513 3.751660 2.572911 6.805848 6.213573 6.026800 6.563629 7.452981 4.775161 3.861849 5.403492 0.000000 6.568772 7.746105 6.461721 5.163271 5.931231 3.132259 2.100647 2.154761 5.085763 7.286292 4.470001 6.482916 4.841345 8.218950 5.473521 4.368469 5.675406 4.607662 5.251958 3.137407 1.079160 5.841163 4.848775 7.083443 5.390729 7.462340 6.710807 7.975618 4.751061 5.195893 6.996847 6.588887 7.778529 8.849527 8.946651 4.213623 6.426828 4.675663 4.167255 0.000000 4.820404 4.870761 6.322964 6.025904 2.727197 4.132159 4.326175 2.659939 5.260654 7.247326 5.178574 6.939596 4.073662 7.513259 3.678528 3.796687 2.954147 3.103556 2.579806 3.172743 3.504378 2.167894 1.082817 3.412505 2.140217 3.880140 3.383354 8.205745 6.104362 5.400885 7.869960 6.698884 6.708431 7.917648 8.364646 4.537542 3.247365 3.481551 3.338244 3.896118 0.000000 6.951326 4.888512 8.868192 8.885478 2.551671 8.038429 8.301332 6.947760 8.176195 9.397442 8.693164 9.230764 6.652228 8.960486 5.888924 6.203704 4.504479 4.914513 3.882277 7.222934 7.653452 2.141346 3.396616 1.082892 3.873025 2.158476 3.393803 10.469795 9.708870 8.804879 10.217746 8.572466 7.899565 9.277384 9.578391 7.057868 4.160802 4.907427 7.082385 7.896676 4.299026 0.000000 6.556232 2.873657 8.445525 8.266378 4.583596 5.810824 5.972660 3.804426 7.432855 9.515591 7.013793 9.287397 6.396669 9.812434 5.841199 6.230038 5.077868 5.525864 4.880288 4.586571 4.853653 3.388247 2.146993 3.872663 1.082362 3.402398 2.152244 10.414514 7.872980 7.062331 10.197803 9.122725 9.033270 10.102674 10.718163 6.905390 4.964307 5.745294 4.566116 5.004558 2.456233 4.955365 0.000000 8.275781 2.864973 10.514866 10.559302 4.510622 9.032061 9.279552 7.468263 9.741786 11.269985 9.916188 11.133133 8.307073 10.993691 7.461067 7.955664 6.139457 6.738576 5.705596 7.958018 8.366233 3.393378 3.879806 2.151979 3.399357 1.082351 2.150478 12.307566 10.926582 9.930427 12.130675 10.605787 9.984025 11.233827 11.724965 8.794214 5.632896 6.730687 7.749872 8.503876 4.962412 2.497307 4.293226 0.000000 C19H17Cl2N3O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3415609 0.0914625 0.0838149 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= 712 RedAO= T EigKep= 1.31D-06 NBF= 712 NBsUse= 708 1.00D-06 EigRej= 9.13D-07 NBFU= 708 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= 724 724 724 724 724 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 1 1 -2044.94357631596 -2044.94357632 1 2.038246388821e+03 -1.045685442816e+04 3.549241974219e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830043202 LenY= 2829496342 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 4.4520 278.49 0.0194 0.000 105 106 0.67728 105 107 -0.13186 -2044.77996943 2 Singlet-A 4.5470 272.67 0.0745 0.000 105 106 0.12338 105 107 0.68615 3 Singlet-A 4.9358 251.19 0.0167 0.000 103 109 -0.19969 104 106 0.11775 104 107 -0.11814 105 108 0.62029 4 Singlet-A 5.0545 245.30 0.0183 0.000 101 107 -0.13260 102 106 -0.18181 102 107 -0.14243 103 106 0.19496 103 107 0.18945 104 106 0.41316 104 107 -0.32974 105 106 -0.11315 105 108 -0.19121 5 Singlet-A 5.3914 229.96 0.0986 0.000 103 106 -0.25697 103 107 0.17835 104 106 0.25386 104 107 0.27196 105 109 0.47919 6 Singlet-A 5.4632 226.95 0.0137 0.000 101 106 -0.11749 102 106 0.22373 104 106 0.27881 104 107 0.22469 105 109 -0.27894 105 110 0.43925 7 Singlet-A 5.4835 226.10 0.0437 0.000 101 106 0.10539 102 106 -0.26326 104 106 -0.20793 104 107 -0.16090 105 109 0.20199 105 110 0.52405 8 Singlet-A 5.5867 221.93 0.0299 0.000 101 106 -0.30967 101 107 0.42881 102 106 0.16377 102 107 -0.18406 103 106 -0.26844 104 107 -0.24763 9 Singlet-A 5.6170 220.73 0.1329 0.000 101 106 -0.30769 102 106 0.14517 103 106 0.39682 103 107 -0.29803 103 108 0.13105 105 109 0.26351 10 Singlet-A 5.6583 219.12 0.0316 0.000 101 106 0.14336 101 107 0.25799 102 106 0.24527 103 106 0.23954 103 107 0.34110 105 112 -0.23721 105 113 0.25734 105 115 0.13923 PT46022.100S Mon Jul 5 21:45:35 2021 GINC-CIBELES20 PAULAPLA 05-Jul-2021 0 Electronic spectrum difenoconazole_RR CONF49 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-2044.9435763 RMSD=8.148e-09 PG=C01 [X(C19H17Cl2N3O3)] 0 1.1954805404 -1.2132923151 2.4263223842 0 -6.6908782144 1.6176688715 0.3022230025 0 3.9050824153 -0.8202981256 1.1281115029 0 4.045719471 0.2640545585 -0.8359247978 0 -2.0095550779 -1.5102649883 -1.5024095962 0 1.9046184177 2.1843687429 0.5446232081 0 1.9840385337 2.8756776648 -0.6227521937 0 -0.1405552713 2.8844148579 0.1629885072 0 3.1913261178 0.0513019362 0.2701610387 0 4.7649441812 -1.6506328119 0.3204676588 0 3.0129163322 1.3867309726 1.0325230683 0 4.6946327262 -0.9868076154 -1.0737550298 0 1.8361057043 -0.5183132743 -0.1822773456 0 4.3039346464 -3.0991618298 0.344094147 0 0.8800040914 -1.0420521467 0.6986407089 0 1.4587422319 -0.3664646436 -1.5198262273 0 -0.3951280651 -1.3895220458 0.2694921107 0 0.1890058557 -0.7058850976 -1.9722238594 0 -0.738869455 -1.1979849234 -1.0652162812 0 0.6265925059 2.1951261908 0.9877033363 0 0.7388337129 3.2802806812 -0.8026208411 0 -3.0633490373 -0.7395940335 -1.037106918 0 -2.8991728221 0.5578200677 -0.5522064879 0 -4.3303734644 -1.3133196075 -1.1215656536 0 -4.0175989732 1.2797442891 -0.1397235344 0 -5.445568319 -0.5891415162 -0.71425878 0 -5.2800022403 0.7033360741 -0.222246043 0 5.7670569462 -1.5602266853 0.7480543783 0 3.9371601911 1.9546029262 0.9416552406 0 2.8254470321 1.1509614827 2.0783890218 0 5.6714574003 -0.7772242657 -1.508535942 0 4.1088337989 -1.5982884743 -1.7709221304 0 3.2868920852 -3.1815726041 -0.0467668938 0 4.3160508654 -3.486333315 1.3644063477 0 4.9660106162 -3.7182415673 -0.2695732683 0 2.1730396732 0.0752879316 -2.201433702 0 -1.1291795791 -1.7682212399 0.9679499023 0 -0.1014209998 -0.5580472988 -3.0044439241 0 0.317023582 1.6917119259 1.8905758447 0 0.4543310571 3.8829309158 -1.6514181017 0 -1.9225115546 1.0215731715 -0.4925465948 0 -4.4289840477 -2.3210537424 -1.5054964448 0 -3.8971228067 2.287392492 0.236625182 0 -6.4343823015 -1.0252941959 -0.7734275926 Gaussian 16 5-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 126 C1[X(C19H17Cl2N3O3)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/difenoconazole_RR/gas/CONF49/ #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 difenoconazole_RR CONF49 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 42 43 44 35 35 16 16 16 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 34.9688527 15.9949146 15.9949146 15.9949146 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 3 0 0 0 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 14.2400000 5.6000000 5.6000000 5.6000000 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 1384 A 1222 A 1222 1787 1384 105 105 2824.4803273103 44 44 44 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 -0.0578385010 0.000000 8.644119 0.000000 3.030138 10.904135 0.000000 4.576972 10.881277 2.247896 0.000000 5.078915 5.912314 6.509887 6.344979 0.000000 3.948135 8.617567 3.656547 3.190272 5.758595 0.000000 5.161236 8.814326 4.518426 3.334148 5.996589 1.359037 0.000000 4.868149 6.673137 5.569878 5.038751 5.057660 2.195096 2.265251 0.000000 3.198692 10.005623 1.416056 1.413746 5.712238 2.506176 3.198740 4.374866 0.000000 4.167369 11.912934 1.442604 2.349586 7.016867 4.789462 5.395423 6.682468 2.318488 0.000000 3.464949 9.733977 2.382451 2.412091 6.328008 1.450033 2.452649 3.597712 1.548030 3.578017 0.000000 4.954382 11.760377 2.345065 1.429093 6.738241 4.523239 4.740202 6.316244 2.267975 1.545789 3.591415 0.000000 2.774561 8.803784 2.467586 2.433464 4.185191 2.799566 3.425650 3.950311 1.538111 3.180094 2.547512 3.030742 0.000000 4.189829 11.963952 2.442742 3.573562 6.767150 5.806257 6.481930 7.455835 3.341973 1.520304 4.718463 2.573904 3.609436 0.000000 1.764577 8.034272 3.063449 3.752674 3.662431 3.388709 4.279437 4.092140 2.592533 3.950461 3.249581 4.206641 1.401588 4.010075 0.000000 4.044566 8.583296 3.633472 2.749132 3.652077 3.311723 3.404727 3.994726 2.525951 3.995840 3.464627 3.324875 1.398034 4.363136 2.390178 0.000000 2.685705 6.977158 4.421883 4.865942 2.400123 4.258782 4.964722 4.282836 3.865052 5.166926 4.461453 5.279409 2.437520 5.000962 1.389556 2.772209 0.000000 4.540668 7.609521 4.840908 4.135964 2.387765 4.198978 4.227388 4.190226 3.823029 5.204632 4.624069 4.602916 2.439678 5.293934 2.779209 1.390000 2.415339 0.000000 3.991589 6.724894 5.149721 5.008236 1.379601 4.584749 4.919830 4.304934 4.334788 5.693591 5.015692 5.437611 2.805714 5.570503 2.399220 2.393239 1.391507 1.387724 0.000000 3.743070 7.372158 4.456568 4.329560 5.184579 1.352696 2.213454 1.320526 3.418875 5.688675 2.519931 5.560869 3.192888 6.478161 3.259923 3.679935 3.795977 4.167555 4.194302 0.000000 5.552189 7.693216 5.528798 4.475961 5.567106 2.091684 1.321587 1.364711 4.194268 6.464116 3.482059 5.824938 4.002268 7.397445 4.577803 3.785684 4.923652 4.190441 4.723074 2.096525 0.000000 5.509752 4.528737 7.297515 7.182384 1.385973 5.977636 6.222379 4.807951 6.438589 7.997198 6.762073 7.762006 4.978389 7.858253 4.319066 4.563064 3.041219 3.384286 2.369413 5.131092 5.538138 0.000000 5.364202 4.028692 7.142868 6.956890 2.443621 5.188941 5.405848 3.678929 6.166606 8.023560 6.176671 7.766838 4.870090 8.127830 4.290267 4.558729 3.276823 3.626327 2.830714 4.181281 4.550779 1.394764 0.000000 6.567540 4.023661 8.551424 8.528108 2.360091 7.340649 7.593965 6.068413 7.770139 9.215099 8.115065 9.031037 6.288065 8.938046 5.525828 5.879541 4.174566 4.638684 3.593797 6.428819 6.848339 1.393429 2.423565 0.000000 6.322659 2.730555 8.293761 8.156802 3.697743 6.029870 6.228962 4.206907 7.324321 9.269949 7.128377 9.050561 6.123780 9.415775 5.484534 5.882601 4.518267 4.999631 4.212570 4.865956 5.202425 2.406993 1.393626 2.790309 0.000000 7.372676 2.730210 9.533228 9.530335 3.643602 7.956280 8.198317 6.401431 8.716375 10.317557 8.860095 10.154361 7.301424 10.122901 6.497252 6.954713 5.207237 5.774472 4.758873 6.893472 7.295688 2.408700 2.797483 1.390681 2.421141 0.000000 7.253982 1.761148 9.408013 9.356209 4.151466 7.375657 7.592481 5.596376 8.510641 10.331343 8.415104 10.152586 7.220320 10.326257 6.468392 6.945420 5.337027 5.912561 4.994748 6.211061 6.572965 2.767598 2.407986 2.403637 1.390222 1.392834 0.000000 4.882239 12.864600 2.039335 2.966479 8.095849 5.383476 5.988955 7.415998 3.075678 1.093267 4.043609 2.190409 4.171748 2.161535 4.914696 5.012976 6.183097 6.264540 6.763597 6.370595 7.149695 9.046342 9.015561 10.272027 10.227076 11.349200 11.318247 0.000000 4.444840 10.652586 2.781343 2.455510 7.303573 2.083663 2.666540 4.254249 2.151680 3.750843 1.088560 3.645208 3.434089 5.102170 4.287797 4.193900 5.513955 5.442201 5.985950 3.319613 3.876753 7.757662 7.135690 9.126243 8.056240 9.861454 9.374242 3.967371 0.000000 2.892671 9.691905 2.440185 3.281599 6.578867 2.065985 3.313424 3.933292 2.147745 3.834171 1.088378 4.242632 2.979243 4.822577 3.240025 4.137344 4.483109 5.177467 5.301335 2.667365 4.145862 6.925203 6.327963 8.216943 7.194712 8.901491 8.437511 4.215851 1.781547 0.000000 5.975587 12.721702 3.173932 2.044429 7.715915 5.213019 5.265488 7.069730 3.162478 2.220329 4.267028 1.089562 4.066438 3.270130 5.282025 4.232708 6.351358 5.502488 6.439399 6.365276 6.425919 8.747600 8.726546 10.023660 9.999129 11.146951 11.125694 2.390488 4.058830 4.968270 0.000000 5.123740 11.457491 3.008518 2.084832 6.124911 4.952657 5.084233 6.472399 2.780106 2.192517 4.239184 1.096864 2.975808 2.600765 4.102863 2.933159 4.948994 4.025165 4.915129 5.841747 6.007907 7.260582 7.432781 8.468949 8.773984 9.665481 9.790103 3.016023 4.473319 4.901291 1.784597 0.000000 3.790026 11.077473 2.708896 3.615375 5.741473 5.572589 6.222497 6.970480 3.249778 2.159462 4.702056 2.802397 3.035802 1.092675 3.305494 3.665633 4.107157 4.408323 4.602023 6.087381 6.987093 6.875289 7.246097 7.916331 8.559648 9.133570 9.408240 3.067853 5.270686 4.847687 3.688335 2.480945 0.000000 4.004040 12.179144 2.707854 4.356598 7.220580 6.216423 7.061322 7.867094 3.870044 2.158960 5.055201 3.512205 4.165513 1.091369 4.268978 5.120214 5.271685 5.991368 6.057378 6.784762 7.954845 8.232095 8.490467 9.255415 9.717388 10.392487 10.590327 2.489015 5.470472 4.923025 4.174949 3.665779 1.772980 0.000000 5.268731 12.832846 3.387797 4.126302 7.419809 6.698944 7.245458 8.358181 4.201223 2.159533 5.618788 2.860260 4.476993 1.094620 4.979445 5.009838 5.869867 5.898566 6.287320 7.441721 8.193441 8.598376 8.956880 9.640140 10.281146 10.880716 11.159452 2.516797 5.891245 5.814127 3.268374 2.735508 1.776822 1.773730 0.000000 4.902263 9.338965 3.858486 2.325334 4.527329 3.472909 3.220270 4.339863 2.673250 4.007088 3.589394 2.959415 2.131403 4.593208 3.366129 1.081645 3.853132 2.144565 3.375119 4.129868 3.779630 5.425814 5.355383 6.737116 6.635162 7.790786 7.736890 4.928625 4.064844 4.460896 3.666853 2.594898 4.060837 5.476574 5.091526 0.000000 2.799793 6.545222 5.125232 5.844971 2.635200 5.000610 5.812767 4.824144 4.739656 5.930747 5.207192 6.220607 3.417340 5.628439 2.153292 3.853737 1.081706 3.392756 2.147388 4.334887 5.666724 2.969737 3.294574 3.849760 4.342810 4.780300 4.975388 6.902876 6.287123 5.039224 7.305048 5.913297 4.746462 5.723602 6.518081 4.934387 0.000000 5.621790 7.686920 5.761845 4.751537 2.608410 4.913341 4.670339 4.678109 4.683645 5.994188 5.456955 5.187825 3.423480 6.089099 3.861385 2.162152 3.390615 1.082443 2.139267 4.903795 4.504089 3.560392 3.884076 4.690384 5.188502 5.814278 6.012439 7.037375 6.180230 6.109211 5.967571 4.508872 5.206861 6.868462 6.568501 2.493814 4.277934 0.000000 3.081844 7.186031 4.445865 4.834789 5.213250 2.138868 3.239989 2.148599 3.684875 5.781047 2.845541 5.926651 3.389475 6.421802 3.034983 4.143725 3.553741 4.548195 4.266376 1.079091 3.155120 5.090137 4.194856 6.300913 4.804247 6.722717 6.063629 6.448513 3.751660 2.572911 6.805848 6.213573 6.026800 6.563629 7.452981 4.775161 3.861849 5.403492 0.000000 6.568772 7.746105 6.461721 5.163271 5.931231 3.132259 2.100647 2.154761 5.085763 7.286292 4.470001 6.482916 4.841345 8.218950 5.473521 4.368469 5.675406 4.607662 5.251958 3.137407 1.079160 5.841163 4.848775 7.083443 5.390729 7.462340 6.710807 7.975618 4.751061 5.195893 6.996847 6.588887 7.778529 8.849527 8.946651 4.213623 6.426828 4.675663 4.167255 0.000000 4.820404 4.870761 6.322964 6.025904 2.727197 4.132159 4.326175 2.659939 5.260654 7.247326 5.178574 6.939596 4.073662 7.513259 3.678528 3.796687 2.954147 3.103556 2.579806 3.172743 3.504378 2.167894 1.082817 3.412505 2.140217 3.880140 3.383354 8.205745 6.104362 5.400885 7.869960 6.698884 6.708431 7.917648 8.364646 4.537542 3.247365 3.481551 3.338244 3.896118 0.000000 6.951326 4.888512 8.868192 8.885478 2.551671 8.038429 8.301332 6.947760 8.176195 9.397442 8.693164 9.230764 6.652228 8.960486 5.888924 6.203704 4.504479 4.914513 3.882277 7.222934 7.653452 2.141346 3.396616 1.082892 3.873025 2.158476 3.393803 10.469795 9.708870 8.804879 10.217746 8.572466 7.899565 9.277384 9.578391 7.057868 4.160802 4.907427 7.082385 7.896676 4.299026 0.000000 6.556232 2.873657 8.445525 8.266378 4.583596 5.810824 5.972660 3.804426 7.432855 9.515591 7.013793 9.287397 6.396669 9.812434 5.841199 6.230038 5.077868 5.525864 4.880288 4.586571 4.853653 3.388247 2.146993 3.872663 1.082362 3.402398 2.152244 10.414514 7.872980 7.062331 10.197803 9.122725 9.033270 10.102674 10.718163 6.905390 4.964307 5.745294 4.566116 5.004558 2.456233 4.955365 0.000000 8.275781 2.864973 10.514866 10.559302 4.510622 9.032061 9.279552 7.468263 9.741786 11.269985 9.916188 11.133133 8.307073 10.993691 7.461067 7.955664 6.139457 6.738576 5.705596 7.958018 8.366233 3.393378 3.879806 2.151979 3.399357 1.082351 2.150478 12.307566 10.926582 9.930427 12.130675 10.605787 9.984025 11.233827 11.724965 8.794214 5.632896 6.730687 7.749872 8.503876 4.962412 2.497307 4.293226 0.000000 C19H17Cl2N3O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3415609 0.0914625 0.0838149 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= 1222 RedAO= T EigKep= 1.04D-06 NBF= 1222 NBsUse= 1216 1.00D-06 EigRej= 8.76D-07 NBFU= 1216 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= 1355 1347 1349 1355 1355 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 1 1 -2044.94827400748 -2045.03355468121 -0.085280673735 -2045.03322427415 0.000330407063 -2045.03416283712 -0.000938562967 -2045.03421025263 -0.000047415517 -2045.03422486571 -0.000014613075 -2045.03422633933 -0.000001473616 -2045.03422644798 -0.000000108652 -2045.03422647213 -0.000000024153 -2045.03422647362 -0.000000001490 -2045.03422647414 -0.000000000523 -2045.03422647362 0.000000000528 -2045.03422647 12 2.037838211265e+03 -1.045702971985e+04 3.549734793298e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2827289734 LenY= 2825372894 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. PT34489.500S Mon Jul 5 22:21:33 2021 GINC-CIBELES20 PAULAPLA 05-Jul-2021 0 Single Point difenoconazole_RR CONF49 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-2045.0342265 RMSD=6.401e-09 Dipole=1.5901625,-1.2415147,-0.2029627 Quadrupole=0.4010077,-2.1511323,1.7501246,-0.843662,0.8509934,2.7704017 PG=C01 [X(C19H17Cl2N3O3)] 0 1.1954805404 -1.2132923151 2.4263223842 0 -6.6908782144 1.6176688715 0.3022230025 0 3.9050824153 -0.8202981256 1.1281115029 0 4.045719471 0.2640545585 -0.8359247978 0 -2.0095550779 -1.5102649883 -1.5024095962 0 1.9046184177 2.1843687429 0.5446232081 0 1.9840385337 2.8756776648 -0.6227521937 0 -0.1405552713 2.8844148579 0.1629885072 0 3.1913261178 0.0513019362 0.2701610387 0 4.7649441812 -1.6506328119 0.3204676588 0 3.0129163322 1.3867309726 1.0325230683 0 4.6946327262 -0.9868076154 -1.0737550298 0 1.8361057043 -0.5183132743 -0.1822773456 0 4.3039346464 -3.0991618298 0.344094147 0 0.8800040914 -1.0420521467 0.6986407089 0 1.4587422319 -0.3664646436 -1.5198262273 0 -0.3951280651 -1.3895220458 0.2694921107 0 0.1890058557 -0.7058850976 -1.9722238594 0 -0.738869455 -1.1979849234 -1.0652162812 0 0.6265925059 2.1951261908 0.9877033363 0 0.7388337129 3.2802806812 -0.8026208411 0 -3.0633490373 -0.7395940335 -1.037106918 0 -2.8991728221 0.5578200677 -0.5522064879 0 -4.3303734644 -1.3133196075 -1.1215656536 0 -4.0175989732 1.2797442891 -0.1397235344 0 -5.445568319 -0.5891415162 -0.71425878 0 -5.2800022403 0.7033360741 -0.222246043 0 5.7670569462 -1.5602266853 0.7480543783 0 3.9371601911 1.9546029262 0.9416552406 0 2.8254470321 1.1509614827 2.0783890218 0 5.6714574003 -0.7772242657 -1.508535942 0 4.1088337989 -1.5982884743 -1.7709221304 0 3.2868920852 -3.1815726041 -0.0467668938 0 4.3160508654 -3.486333315 1.3644063477 0 4.9660106162 -3.7182415673 -0.2695732683 0 2.1730396732 0.0752879316 -2.201433702 0 -1.1291795791 -1.7682212399 0.9679499023 0 -0.1014209998 -0.5580472988 -3.0044439241 0 0.317023582 1.6917119259 1.8905758447 0 0.4543310571 3.8829309158 -1.6514181017 0 -1.9225115546 1.0215731715 -0.4925465948 0 -4.4289840477 -2.3210537424 -1.5054964448 0 -3.8971228067 2.287392492 0.236625182 0 -6.4343823015 -1.0252941959 -0.7734275926