Gaussian 16 GINC-CIBELES2-329 PAULAPLA Optimization difenoconazole_RS CONF131 gas EM64L-G16RevC.01 19-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-2557072/Gau-25391.inp" -scrdir="/temporal/paulapla/opt-b3lyp-pople.com-2557072/" chk=/home/paulapla/almacen/ADAMA/censo_results/difenoconazole_RS/gas/CONF131/op #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_RS CONF131 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 1.7276 1.7268 1.3917 1.4194 1.3975 1.4116 1.3583 1.3649 1.336 1.4354 1.3421 1.3094 1.308 1.3511 1.5333 1.5277 1.53 1.5151 1.0944 1.0877 1.0913 1.0903 1.0966 1.3949 1.3915 1.0912 1.0906 1.0891 1.3852 1.3841 1.0813 1.3862 1.0814 1.3876 1.0817 1.0784 1.0786 1.386 1.3889 1.3856 1.0818 1.3846 1.0823 1.3853 1.081 1.3865 1.0811 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 26 110.3112 106.6286 120.2627 121.3649 109.6135 128.9019 102.7081 102.547 106.4581 110.5396 111.6023 107.7171 110.8039 109.6123 102.7599 110.5548 108.4967 114.0536 110.8546 109.8184 112.2128 107.7551 109.657 110.3152 108.8543 107.9541 103.076 108.608 111.1585 113.4354 111.7954 108.659 123.4457 119.6459 116.8683 110.148 111.8014 110.7763 108.0636 107.9036 108.0156 121.7926 116.5656 121.6371 122.639 118.8937 118.4663 119.8605 120.3392 119.7983 118.9751 119.8785 121.1435 116.4711 123.4733 119.999 110.2168 123.2336 126.5481 114.9125 121.7839 123.3029 117.7009 121.9432 120.2819 119.9574 119.7408 120.2998 119.7506 120.5719 119.6761 119.6817 120.0712 120.2458 119.8355 119.9845 120.1774 119.8027 119.7083 120.4887 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 -14.3303 -131.0448 106.6872 -5.8398 116.2497 -123.269 30.3087 148.8921 -91.2188 -33.0108 -153.6097 86.8985 -150.7958 31.9471 -133.8604 49.2609 176.7791 0.4211 -97.2235 24.413 141.6762 78.3667 -159.9969 -42.7336 -0.4719 179.9457 -176.4752 3.9424 -0.2497 179.4583 0.2929 179.8581 -0.0217 -179.7248 55.3035 -64.8568 176.8644 -60.6287 179.2109 60.9322 178.7306 58.5702 -59.7085 46.3355 -136.0416 164.7872 -17.5899 -76.4637 101.1592 23.4173 140.6573 -96.0524 -96.2726 20.9674 144.2577 139.1618 -103.5982 19.692 173.1211 -66.7142 53.8181 -71.6849 48.4797 169.0121 53.4324 173.5971 -65.8705 0.2043 179.3851 -177.4798 1.701 -179.0862 0.5514 -1.3097 178.3279 178.2595 -1.2244 -0.9621 179.554 0.1677 179.5593 -179.4714 -0.0797 -177.6101 -0.252 1.8766 179.2347 177.8044 0.6397 -1.5793 -178.744 -176.7805 2.7066 0.1524 179.6395 177.1842 -2.3893 0.3844 -179.189 -0.6394 179.7586 179.8764 0.2744 -0.4302 -179.8442 179.1471 -0.2669 -179.6085 0.595 -0.0071 -179.8037 -179.8556 -0.0589 -0.4428 179.354 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 2699.4394184213 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= 1.23D-06 NBF= 712 NBsUse= 709 1.00D-06 EigRej= 5.64D-07 NBFU= 709 Berny optimization. local minimum Step number 20 out of a maximum of 252 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00060 0.00181 0.00345 0.00552 0.00763 0.01046 0.01517 0.01553 0.02054 0.02100 0.02209 0.02253 0.02253 0.02263 0.02266 0.02267 0.02274 0.02277 0.02278 0.02278 0.02279 0.02280 0.02282 0.02283 0.02290 0.02563 0.02598 0.02643 0.02976 0.03496 0.03899 0.04503 0.04777 0.05067 0.05274 0.05610 0.05701 0.05823 0.05919 0.06749 0.07863 0.09293 0.09766 0.10679 0.11110 0.11306 0.12990 0.15203 0.15492 0.15688 0.15945 0.15965 0.15990 0.15999 0.16000 0.16004 0.16010 0.16027 0.16038 0.16127 0.16243 0.19655 0.20019 0.21985 0.22043 0.22491 0.23114 0.23303 0.23650 0.24014 0.24276 0.24689 0.24939 0.25030 0.25582 0.26296 0.26868 0.29256 0.30338 0.30647 0.31203 0.32091 0.32820 0.34009 0.34307 0.34548 0.34637 0.34765 0.34852 0.34952 0.35074 0.35324 0.35718 0.35781 0.35839 0.35867 0.35870 0.35896 0.36024 0.36181 0.36688 0.37554 0.39067 0.39986 0.41422 0.41902 0.43199 0.43543 0.43723 0.44552 0.45692 0.47612 0.47801 0.47942 0.48096 0.48218 0.48326 0.49160 0.51318 0.51705 0.52712 0.54384 0.55794 0.58999 0.63037 0.70120 -2.53982633e-08 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 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 3.32366 3.32269 2.67149 2.72489 2.68173 2.70415 2.59941 2.61601 2.56790 2.73729 2.55573 2.49723 2.49592 2.57742 2.91084 2.90422 2.90220 2.87322 2.06710 2.05374 2.06260 2.05943 2.07145 2.65188 2.64125 2.06806 2.06300 2.06202 2.62717 2.62779 2.04528 2.63100 2.04380 2.63263 2.04442 2.03686 2.03932 2.62745 2.63387 2.63263 2.04615 2.62901 2.04655 2.62926 2.04514 2.63264 2.04530 1.92256 1.85966 2.09261 2.11879 1.91071 2.25255 1.78946 1.79204 1.85524 1.92983 1.94301 1.86888 1.93813 1.92626 1.79432 1.91973 1.87426 1.99955 1.93767 1.92999 1.96313 1.87594 1.91139 1.91645 1.88826 1.90830 1.80250 1.88241 1.92360 1.98245 1.95123 1.91713 2.16049 2.08088 2.04153 1.92321 1.93606 1.91858 1.89834 1.89593 1.89089 2.12960 2.03138 2.12217 2.13933 2.06082 2.08302 2.08930 2.10839 2.08549 2.07417 2.10374 2.10527 2.02396 2.15842 2.09957 1.92564 2.13994 2.21750 2.00692 2.12394 2.15232 2.05559 2.11746 2.10814 2.08974 2.08074 2.11269 2.08784 2.09115 2.10419 2.08312 2.10374 2.09631 2.08448 2.10337 2.09529 2.08615 2.08405 2.11298 -0.21533 -2.23789 1.89742 -0.14003 1.99691 -2.18505 0.51106 2.57432 -1.60482 -0.58558 -2.68913 1.50125 -2.73753 0.45726 -2.22820 0.98086 3.09807 0.00333 -1.79285 0.31869 2.39009 1.29185 -2.87981 -0.80840 -0.00326 3.12467 -3.09334 0.03459 -0.00244 3.13429 0.00163 -3.12555 0.00058 -3.13606 0.97293 -1.11522 3.08647 -1.04111 -3.12926 1.07243 3.13050 1.04234 -1.03915 0.87138 -2.29690 2.93489 -0.23340 -1.27853 1.83636 0.43713 2.47103 -1.63057 -1.64510 0.38881 2.57039 2.43658 -1.81270 0.36888 3.04122 -1.13872 0.95218 -1.23147 0.87177 2.96267 0.97401 3.07725 -1.11503 0.00788 3.14060 -3.10757 0.02514 -3.13769 -0.00052 -0.02099 3.11618 3.12219 -0.01470 -0.01100 3.13530 0.00253 3.13970 -3.13458 0.00259 -3.09889 -0.00857 0.03806 3.12839 3.09891 0.01270 -0.03826 -3.12447 -3.07857 0.05865 -0.00406 3.13316 3.08304 -0.05880 0.01094 -3.13091 -0.00527 3.14044 3.14077 0.00331 -0.00836 -3.13965 3.13349 0.00219 -3.13515 0.00782 0.00234 -3.13788 -3.14119 -0.00097 -0.00984 3.13038 0.00000 0.00000 0.00002 -0.00001 -0.00001 0.00001 -0.00000 -0.00000 -0.00001 0.00000 -0.00001 -0.00001 -0.00001 -0.00002 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 0.00000 -0.00001 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -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 0.00001 -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 0.00001 -0.00001 0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 -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 0.00001 -0.00000 0.00001 0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00002 -0.00002 -0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 0.00001 0.00000 0.00001 0.00002 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 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 0.00001 0.00000 0.00001 0.00001 -0.00004 -0.00001 0.00000 0.00001 -0.00001 -0.00000 -0.00001 -0.00004 0.00003 0.00001 -0.00001 0.00001 0.00001 -0.00003 0.00003 0.00000 -0.00002 0.00001 -0.00002 -0.00002 0.00001 -0.00001 0.00003 0.00001 0.00002 0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00000 -0.00001 0.00001 0.00001 -0.00001 -0.00000 0.00001 -0.00000 -0.00000 0.00001 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00002 -0.00002 0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00020 -0.00019 -0.00020 0.00023 0.00023 0.00024 0.00008 0.00003 0.00005 0.00007 0.00007 0.00007 -0.00004 -0.00005 0.00018 0.00017 -0.00004 -0.00001 -0.00019 -0.00022 -0.00022 -0.00022 -0.00026 -0.00025 -0.00001 -0.00000 0.00002 0.00003 0.00003 -0.00001 0.00003 0.00002 -0.00003 0.00000 -0.00004 -0.00000 -0.00002 -0.00002 0.00002 0.00001 -0.00002 0.00002 0.00001 -0.00002 -0.00002 -0.00002 -0.00002 -0.00001 -0.00001 -0.00018 -0.00017 -0.00020 -0.00015 -0.00013 -0.00017 -0.00015 -0.00013 -0.00017 0.00009 0.00010 0.00009 0.00008 0.00009 0.00008 0.00007 0.00008 0.00007 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00001 -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 -0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00001 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00007 -0.00006 -0.00004 0.00002 -0.00000 -0.00001 -0.00003 0.00001 -0.00000 0.00000 -0.00001 -0.00003 -0.00002 -0.00002 0.00001 0.00002 -0.00001 -0.00001 -0.00000 -0.00001 -0.00001 -0.00002 -0.00000 -0.00002 -0.00001 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00001 -0.00002 -0.00000 -0.00003 -0.00000 -0.00000 -0.00000 -0.00001 0.00002 0.00006 0.00005 -0.00002 -0.00003 0.00003 0.00002 -0.00001 -0.00002 -0.00002 0.00002 0.00003 0.00001 0.00002 0.00001 0.00001 -0.00002 -0.00003 0.00001 0.00001 -0.00002 0.00000 -0.00003 -0.00000 0.00004 -0.00002 -0.00002 -0.00001 -0.00001 0.00000 0.00005 0.00001 -0.00001 -0.00001 0.00001 -0.00003 -0.00002 0.00002 0.00002 -0.00001 0.00002 -0.00002 0.00000 0.00001 -0.00002 0.00001 -0.00000 0.00001 -0.00001 -0.00001 0.00001 -0.00000 -0.00005 0.00004 0.00001 -0.00001 -0.00003 0.00004 -0.00004 0.00001 0.00003 -0.00003 0.00003 0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00002 -0.00001 0.00001 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00001 0.00004 0.00003 0.00005 -0.00005 -0.00005 -0.00003 -0.00001 -0.00003 0.00000 -0.00001 0.00002 -0.00003 -0.00044 -0.00048 -0.00010 -0.00009 -0.00005 -0.00000 0.00000 -0.00004 -0.00000 -0.00005 -0.00010 -0.00006 -0.00006 0.00001 -0.00001 0.00006 0.00006 -0.00002 0.00009 0.00002 -0.00010 -0.00001 -0.00001 0.00003 -0.00001 -0.00001 0.00003 0.00000 -0.00005 -0.00001 -0.00004 0.00001 -0.00003 0.00000 -0.00003 0.00004 0.00001 0.00003 -0.00001 0.00005 0.00002 -0.00002 0.00004 0.00004 -0.00000 0.00006 -0.00013 -0.00011 -0.00015 -0.00012 -0.00010 -0.00014 -0.00016 -0.00014 -0.00018 -0.00005 -0.00005 -0.00002 -0.00002 0.00002 0.00002 -0.00001 -0.00001 0.00002 0.00000 0.00003 0.00001 0.00004 -0.00001 0.00004 -0.00001 -0.00004 0.00000 -0.00002 0.00002 0.00001 -0.00003 0.00006 0.00002 0.00001 0.00002 0.00000 0.00001 -0.00002 -0.00002 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00001 -0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00001 -0.00001 -0.00000 -0.00001 -0.00003 0.00004 -0.00006 -0.00004 0.00000 -0.00001 -0.00001 -0.00003 0.00002 0.00000 0.00001 -0.00000 -0.00002 -0.00002 -0.00000 0.00004 0.00002 -0.00000 -0.00001 -0.00001 -0.00001 -0.00001 -0.00002 -0.00000 -0.00002 -0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00002 0.00000 -0.00000 -0.00000 -0.00002 -0.00000 -0.00002 -0.00000 0.00000 -0.00000 0.00000 0.00002 0.00002 0.00003 -0.00001 -0.00003 0.00003 0.00002 -0.00002 -0.00005 0.00001 0.00003 0.00001 0.00002 0.00003 -0.00003 0.00004 -0.00002 -0.00004 0.00002 -0.00001 -0.00003 0.00002 -0.00004 0.00002 0.00005 -0.00000 -0.00001 -0.00000 -0.00003 -0.00001 0.00004 0.00001 -0.00002 0.00000 0.00002 -0.00004 -0.00002 0.00003 0.00002 -0.00001 0.00002 -0.00002 -0.00000 0.00001 -0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00002 0.00002 -0.00000 -0.00004 0.00003 0.00001 -0.00001 -0.00003 0.00004 -0.00003 0.00001 0.00002 -0.00001 0.00000 0.00001 -0.00000 0.00001 -0.00000 -0.00001 -0.00001 0.00002 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00000 -0.00016 -0.00016 -0.00015 0.00019 0.00017 0.00021 0.00006 0.00000 0.00005 0.00006 0.00009 0.00005 -0.00048 -0.00053 0.00009 0.00008 -0.00009 -0.00001 -0.00018 -0.00027 -0.00022 -0.00028 -0.00036 -0.00031 -0.00007 0.00001 0.00001 0.00009 0.00009 -0.00003 0.00011 0.00003 -0.00013 -0.00001 -0.00006 0.00002 -0.00003 -0.00002 0.00006 0.00001 -0.00007 0.00001 -0.00004 -0.00002 -0.00005 -0.00002 -0.00005 0.00003 -0.00000 -0.00015 -0.00018 -0.00014 -0.00013 -0.00015 -0.00012 -0.00011 -0.00013 -0.00010 -0.00004 -0.00002 -0.00006 -0.00003 -0.00001 -0.00006 -0.00009 -0.00006 -0.00011 -0.00005 -0.00005 -0.00002 -0.00002 0.00003 0.00003 -0.00000 -0.00000 0.00001 -0.00000 0.00002 0.00000 0.00003 -0.00001 0.00003 -0.00001 -0.00004 0.00001 -0.00002 0.00003 0.00002 -0.00003 0.00005 0.00001 0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00001 -0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00001 -0.00001 0.00000 3.32365 3.32266 2.67153 2.72483 2.68170 2.70415 2.59940 2.61600 2.56787 2.73731 2.55573 2.49724 2.49591 2.57739 2.91081 2.90421 2.90224 2.87324 2.06710 2.05373 2.06260 2.05942 2.07144 2.65186 2.64125 2.06804 2.06299 2.06201 2.62715 2.62778 2.04527 2.63099 2.04380 2.63262 2.04441 2.03685 2.03932 2.62743 2.63388 2.63263 2.04615 2.62898 2.04655 2.62924 2.04514 2.63265 2.04530 1.92257 1.85968 2.09263 2.11883 1.91070 2.25252 1.78949 1.79206 1.85522 1.92978 1.94302 1.86891 1.93814 1.92628 1.79435 1.91970 1.87430 1.99953 1.93763 1.93002 1.96312 1.87591 1.91140 1.91641 1.88828 1.90835 1.80249 1.88240 1.92360 1.98242 1.95122 1.91717 2.16050 2.08086 2.04153 1.92323 1.93602 1.91856 1.89838 1.89596 1.89089 2.12962 2.03136 2.12217 2.13934 2.06081 2.08303 2.08930 2.10839 2.08548 2.07415 2.10376 2.10526 2.02393 2.15845 2.09958 1.92564 2.13992 2.21754 2.00688 2.12394 2.15235 2.05558 2.11746 2.10814 2.08974 2.08075 2.11269 2.08784 2.09114 2.10421 2.08312 2.10375 2.09631 2.08448 2.10338 2.09528 2.08615 2.08405 2.11299 -0.21549 -2.23805 1.89727 -0.13985 1.99708 -2.18485 0.51112 2.57433 -1.60477 -0.58552 -2.68903 1.50130 -2.73801 0.45673 -2.22811 0.98094 3.09798 0.00332 -1.79303 0.31842 2.38987 1.29157 -2.88016 -0.80871 -0.00333 3.12468 -3.09333 0.03468 -0.00235 3.13426 0.00174 -3.12551 0.00045 -3.13607 0.97287 -1.11520 3.08644 -1.04113 -3.12921 1.07243 3.13043 1.04236 -1.03919 0.87137 -2.29695 2.93487 -0.23345 -1.27850 1.83636 0.43697 2.47086 -1.63072 -1.64523 0.38865 2.57026 2.43647 -1.81283 0.36878 3.04118 -1.13874 0.95212 -1.23151 0.87177 2.96262 0.97392 3.07719 -1.11514 0.00784 3.14054 -3.10759 0.02512 -3.13766 -0.00050 -0.02099 3.11618 3.12221 -0.01470 -0.01098 3.13530 0.00256 3.13969 -3.13455 0.00258 -3.09893 -0.00856 0.03804 3.12841 3.09892 0.01267 -0.03821 -3.12446 -3.07856 0.05866 -0.00405 3.13317 3.08303 -0.05881 0.01093 -3.13092 -0.00527 3.14044 3.14078 0.00330 -0.00836 -3.13964 3.13349 0.00221 -3.13515 0.00781 0.00234 -3.13789 -3.14118 -0.00095 -0.00985 3.13038 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000018 0.000004 0.001724 0.000365 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.238543e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 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 1.7588 1.7583 1.4137 1.4419 1.4191 1.431 1.3755 1.3843 1.3589 1.4485 1.3524 1.3215 1.3208 1.3639 1.5403 1.5368 1.5358 1.5204 1.0939 1.0868 1.0915 1.0898 1.0962 1.4033 1.3977 1.0944 1.0917 1.0912 1.3902 1.3906 1.0823 1.3923 1.0815 1.3931 1.0819 1.0779 1.0792 1.3904 1.3938 1.3931 1.0828 1.3912 1.083 1.3913 1.0822 1.3931 1.0823 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 26 110.1548 106.5508 119.8977 121.3979 109.4755 129.0614 102.5287 102.6764 106.2974 110.5714 111.3262 107.0791 111.0465 110.3666 102.8072 109.9922 107.3872 114.5657 111.0203 110.5804 112.479 107.4834 109.5144 109.8048 108.1894 109.3375 103.2754 107.8539 110.214 113.5858 111.7972 109.8432 123.7868 119.2255 116.971 110.192 110.9282 109.9264 108.767 108.6291 108.3401 122.0171 116.3895 121.5916 122.5747 118.0763 119.3485 119.7081 120.8018 119.4896 118.8411 120.5356 120.6229 115.9646 123.6686 120.2965 110.3313 122.6098 127.0536 114.9878 121.6925 123.319 117.7764 121.3214 120.7874 119.7335 119.2178 121.0482 119.6245 119.8143 120.5612 119.3541 120.5356 120.1099 119.4318 120.5143 120.0512 119.5275 119.4075 121.065 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -12.3374 -128.2216 108.7142 -8.0234 114.4147 -125.1944 29.2814 147.4977 -91.9495 -33.5512 -154.0755 86.0152 -156.8487 26.1988 -127.6664 56.1991 177.5062 0.1907 -102.7227 18.2593 136.9419 74.0173 -165.0007 -46.3181 -0.1868 179.0306 -177.2356 1.9818 -0.14 179.5814 0.0933 -179.0807 0.0333 -179.6831 55.7448 -63.8975 176.8416 -59.6513 -179.2936 61.4455 179.3643 59.722 -59.5389 49.9267 -131.6028 168.1567 -13.3727 -73.2546 105.216 25.0455 141.5797 -93.425 -94.2572 22.277 147.2723 139.606 -103.8598 21.1355 174.249 -65.244 54.5559 -70.5581 49.9489 169.7487 55.8066 176.3136 -63.8866 0.4517 179.943 -178.0506 1.4407 -179.7762 -0.0299 -1.2025 178.5439 178.8884 -0.8422 -0.6301 179.6393 0.1448 179.8914 -179.5984 0.1482 -177.5534 -0.4908 2.1807 179.2434 177.5542 0.7276 -2.1922 -179.0188 -176.3889 3.3607 -0.2326 179.5169 176.6453 -3.3691 0.6266 -179.3878 -0.3021 179.9342 179.9531 0.1894 -0.4789 -179.8889 179.5356 0.1256 -179.6309 0.4479 0.1338 -179.7874 -179.9767 -0.0553 -0.5639 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0525950169 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 10.491484 0.000000 2.935534 10.964563 0.000000 4.511021 10.202308 2.234216 0.000000 4.977705 5.853544 6.361018 6.315929 0.000000 4.476959 12.503314 2.840384 2.838812 7.769115 0.000000 4.562125 13.523568 3.185753 3.904636 8.548816 1.336036 0.000000 6.501689 14.222793 4.416794 4.136040 9.833818 2.173804 2.242829 0.000000 3.153026 10.263916 1.391651 1.397507 5.690349 2.464837 3.327184 4.314528 0.000000 4.188917 11.072848 1.419374 2.304510 7.078331 3.625189 3.992034 4.645990 2.307082 0.000000 3.471197 11.222409 2.405189 2.368148 6.350543 1.435411 2.416968 3.571747 1.533277 3.494421 0.000000 4.900988 10.213453 2.305421 1.411553 6.726905 3.822299 4.617238 4.796552 2.252671 1.530043 3.534020 0.000000 2.733047 8.939946 2.415813 2.409066 4.163118 3.789763 4.624622 5.771973 1.527737 3.295782 2.501484 3.073375 0.000000 5.187915 12.539573 2.412493 3.210297 8.549760 3.662877 3.696460 3.982934 3.358542 1.515071 4.095653 2.554637 4.623910 0.000000 1.727622 8.954839 2.973052 3.714278 3.609665 4.556692 5.110748 6.652716 2.574613 4.040718 3.249069 4.207030 1.394872 5.347232 0.000000 3.993381 7.832606 3.582417 2.741206 3.656834 4.675492 5.709769 6.506636 2.524558 4.124376 3.417808 3.395895 1.391523 5.492146 2.374119 0.000000 2.654024 7.930358 4.305248 4.821255 2.333478 5.859189 6.452076 7.974170 3.847647 5.241796 4.489008 5.258797 2.427209 6.625597 1.385175 2.751269 0.000000 4.495124 6.628318 4.757556 4.115451 2.418574 5.954279 6.942649 7.851749 3.819637 5.314332 4.616059 4.635325 2.435086 6.749813 2.769689 1.384103 2.402213 0.000000 3.956977 6.687724 5.042843 4.981012 1.358277 6.456496 7.258392 8.502748 4.334078 5.781412 5.053249 5.434789 2.807138 7.237099 2.398418 2.387895 1.386228 1.387622 0.000000 5.740284 12.975104 3.702023 3.044268 8.645443 1.342105 2.188614 1.308006 3.267330 4.067480 2.506243 3.961158 4.650670 3.834836 5.633919 5.278451 6.901705 6.612055 7.323477 0.000000 5.829085 14.475834 4.088758 4.491443 9.715529 2.066178 1.309365 1.351094 4.265636 4.545953 3.447073 5.086907 5.686486 3.852628 6.315747 6.658901 7.670000 7.958827 8.400718 2.074648 0.000000 6.188090 4.490405 7.234372 6.929990 1.364903 8.712791 9.584443 10.688954 6.534253 7.755879 7.321669 7.219937 5.038047 9.258709 4.721582 4.244115 3.546920 2.884137 2.361460 9.465636 10.689740 0.000000 7.318066 3.985484 8.454965 8.002401 2.354264 9.689639 10.608422 11.661345 7.644967 9.021504 8.284947 8.403805 6.160461 10.510404 5.869647 5.276133 4.668484 3.893696 3.483267 10.404741 11.710153 1.385955 0.000000 6.538412 3.985753 7.191313 6.849830 2.407930 8.963656 9.841328 10.829641 6.624063 7.468199 7.648136 6.880171 5.219693 8.978962 5.058709 4.379437 4.060433 3.176523 2.951770 9.635582 10.880907 1.388939 2.406535 0.000000 8.563486 2.697848 9.492316 8.889935 3.626990 10.788895 11.760842 12.683702 8.686401 9.916658 9.414966 9.188020 7.241541 11.411895 7.067979 6.234915 5.911254 4.878601 4.673648 11.413856 12.815488 2.399696 1.385572 2.778229 0.000000 7.905536 2.697644 8.381623 7.860999 3.660229 10.135408 11.068264 11.916352 7.796870 8.522784 8.853495 7.811895 6.454551 10.013903 6.406997 5.489596 5.441544 4.320749 4.288298 10.709903 12.056326 2.398915 2.774896 1.384580 2.406335 0.000000 8.814945 1.726764 9.453060 8.819015 4.126974 10.984229 11.963660 12.794014 8.746334 9.687054 9.662716 8.915986 7.361245 11.179918 7.291115 6.318489 6.226981 5.047139 4.990226 11.546337 12.967658 2.763643 2.395751 2.397868 1.385257 1.386540 0.000000 4.250377 10.802792 2.048910 3.174492 6.977469 4.633657 4.893604 5.695939 3.054120 1.094429 4.363589 2.175100 3.653271 2.148852 4.150213 4.444557 5.200864 5.449736 5.768260 5.154632 5.498287 7.598174 8.925854 7.180867 9.774293 8.207494 9.448341 0.000000 2.810917 11.451124 2.713912 3.314542 6.202404 2.048371 2.507239 4.188873 2.166140 4.032384 1.087731 4.345002 2.730380 4.642359 2.986228 3.831355 4.189602 4.836996 4.980352 3.318014 3.741441 7.314136 8.262252 7.763671 9.480865 9.044464 9.824174 4.754479 0.000000 4.151255 10.865499 3.330115 2.616239 6.174001 2.074934 3.230615 3.960859 2.150229 4.291925 1.091341 3.977407 2.718880 4.959735 3.586193 3.228763 4.619680 4.345687 4.935906 2.751023 4.099362 7.077207 7.906620 7.499782 9.009689 8.647768 9.336059 5.165601 1.762395 0.000000 5.943352 10.780514 3.200691 2.040435 7.682913 4.217736 5.007073 4.702138 3.162686 2.203789 4.220904 1.090288 4.093886 2.644366 5.280354 4.267951 6.320145 5.498800 6.411576 4.009878 5.208918 8.083135 9.225751 7.672516 9.925877 8.494102 9.586704 2.840015 5.132622 4.584152 0.000000 5.019864 9.236521 2.883718 2.076617 6.106197 4.734934 5.562466 5.864617 2.750051 2.188469 4.190824 1.096565 3.017827 3.429878 4.076531 3.043988 4.898971 4.079603 4.898562 4.958035 6.132703 6.453524 7.661382 5.973181 8.357923 6.836980 7.985556 2.352837 4.914294 4.526043 1.776568 0.000000 6.106061 12.777340 3.350733 3.862072 9.184381 4.656208 4.719278 4.696298 4.244511 2.150559 5.098865 2.902567 5.412240 1.091150 6.174480 6.134363 7.381058 7.353021 7.901880 4.637882 4.710098 9.780762 11.052403 9.359685 11.862362 10.298252 11.511748 2.443199 5.701112 5.894128 2.680820 3.629806 0.000000 5.565059 12.916890 2.752557 3.031034 8.886567 3.025031 3.138124 2.964984 3.351739 2.170758 3.757086 2.751805 4.794558 1.090605 5.661937 5.600599 6.985794 6.939679 7.539888 2.915136 3.049531 9.613096 10.796248 9.424180 11.714692 10.457621 11.553142 3.067093 4.429946 4.528497 2.644085 3.796182 1.765789 0.000000 5.010516 13.176122 2.638940 4.009277 8.893130 3.887806 3.549538 4.222934 3.820502 2.156868 4.381957 3.486806 5.037509 1.089061 5.518117 6.086365 6.816503 7.294400 7.605284 4.264818 3.747381 9.704390 10.977500 9.482500 11.945831 10.584009 11.760699 2.530559 4.699804 5.368162 3.713963 4.290423 1.762750 1.763562 0.000000 4.864131 8.046928 3.854392 2.355568 4.535054 4.602122 5.771219 6.184181 2.696754 4.146722 3.541343 3.075158 2.135338 5.394825 3.357602 1.081320 3.832461 2.124084 3.361360 4.931136 6.551590 4.920462 5.850090 4.933266 6.664334 5.867251 6.663663 4.604866 4.211167 3.206888 3.735260 2.779537 5.947780 5.369855 6.140026 0.000000 2.772529 8.226674 4.993191 5.794462 2.544485 6.584227 7.021294 8.721210 4.718193 5.980133 5.253820 6.177430 3.404400 7.312282 2.145077 3.832640 1.081388 3.380951 2.140311 7.715216 8.285134 3.820938 4.854224 4.427360 6.127829 5.795272 6.518836 5.839640 4.774903 5.453907 7.256512 5.828196 8.080130 7.733967 7.371539 4.913799 0.000000 5.576437 5.846274 5.666280 4.710327 2.704293 6.717309 7.794529 8.501848 4.663930 6.081701 5.430953 5.199396 3.405584 7.498588 3.851084 2.139475 3.389817 1.081660 2.155923 7.230091 8.739423 2.675422 3.453522 2.892116 4.233096 3.779968 4.361582 6.222756 5.749818 5.020029 5.932182 4.557462 8.021626 7.643959 8.133326 2.438380 4.284089 0.000000 6.217447 12.465770 4.124146 2.832417 8.495785 2.133239 3.215600 2.133982 3.418179 4.345805 2.843544 3.841954 4.660230 4.295194 5.811331 5.003322 6.981309 6.317249 7.198251 1.078425 3.131980 9.196709 10.071878 9.337363 11.000815 10.324266 11.109172 5.429454 3.814064 2.738022 3.765295 4.750705 4.971035 3.395525 4.926487 4.462973 7.885152 6.794896 0.000000 6.450546 15.462584 4.844548 5.482338 10.615154 3.105491 2.089411 2.142244 5.209177 5.237495 4.432201 5.945198 6.615098 4.340283 7.135488 7.654911 8.495235 8.941458 9.311557 3.115517 1.078623 11.625142 12.668475 11.808564 13.794041 13.003001 13.941650 6.100626 4.585374 5.128289 6.026675 6.996131 5.107800 3.622258 4.020768 7.587478 9.034551 9.754339 4.143593 0.000000 7.356816 4.843111 8.719302 8.306859 2.571725 9.721347 10.615582 11.734233 7.849212 9.426449 8.301576 8.857213 6.371677 10.884991 5.997086 5.573024 4.779691 4.233694 3.716876 10.479211 11.745299 2.139820 1.081829 3.384432 2.145385 3.856700 3.379280 9.408766 8.188568 7.862729 9.708507 8.212904 11.509731 11.109035 11.306532 6.186269 4.873049 3.892998 10.174511 12.694738 0.000000 5.923559 4.835896 6.407857 6.225030 2.671528 8.407468 9.223799 10.233901 5.991446 6.594796 7.148618 6.099759 4.660304 8.100678 4.511710 3.974654 3.677847 3.002113 2.798267 9.092765 10.244371 2.151690 3.389966 1.082324 3.860472 2.138306 3.377302 6.221097 7.285433 7.134747 6.910589 5.162988 8.440054 8.620408 8.583134 4.564123 4.100539 2.984798 8.856157 11.138114 4.280965 0.000000 9.456468 2.844584 10.451824 9.784219 4.494169 11.603697 12.596402 13.493193 9.588670 10.913309 10.226588 10.151289 8.151066 12.399093 7.976750 7.122743 6.805139 5.772870 5.580075 12.209164 13.649092 3.380033 2.142299 3.859239 1.081013 3.386049 2.143857 10.809124 10.277073 9.751303 10.869972 9.345963 12.867893 12.660319 12.940001 7.511669 6.979686 5.082049 11.764588 14.638321 2.473055 4.941464 0.000000 8.377977 2.842518 8.602736 8.072835 4.542757 10.508693 11.430400 12.191400 8.120592 8.571506 9.296694 7.844247 6.879633 10.028168 6.915814 5.937389 6.070392 4.923710 5.002053 11.022252 12.362837 3.379770 3.855980 2.140559 3.385446 1.081097 2.144360 8.173076 9.555980 9.155009 8.447227 6.806127 10.199990 10.527339 10.628678 6.223767 6.455478 4.406273 10.624308 13.293162 4.937781 2.460736 4.278133 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4365472 0.0621666 0.0594792 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 10.638862 0.000000 3.031645 11.052720 0.000000 4.588567 10.260393 2.266796 0.000000 5.018777 5.905438 6.398195 6.359081 0.000000 4.497966 12.581555 2.874328 2.846364 7.844339 0.000000 4.624982 13.663817 3.304402 3.983568 8.663317 1.358876 0.000000 6.553410 14.291353 4.453300 4.142968 9.918115 2.194267 2.264794 0.000000 3.197620 10.332835 1.413689 1.419112 5.724651 2.485364 3.411093 4.347673 0.000000 4.349386 11.193912 1.441949 2.327145 7.150753 3.626372 4.090116 4.621494 2.341468 0.000000 3.459926 11.301037 2.429295 2.381287 6.415719 1.448509 2.448603 3.605883 1.540348 3.512669 0.000000 5.031167 10.300554 2.328008 1.430972 6.782229 3.830049 4.711380 4.783477 2.284408 1.535780 3.556780 0.000000 2.771244 9.009159 2.437351 2.437674 4.188184 3.825662 4.712062 5.819084 1.536846 3.350157 2.526325 3.119410 0.000000 5.314484 12.667806 2.426951 3.220286 8.615949 3.610923 3.739321 3.897273 3.371545 1.520442 4.071525 2.571363 4.660255 0.000000 1.758807 9.052106 3.022178 3.758898 3.629391 4.589109 5.192871 6.704477 2.594198 4.142534 3.258295 4.288149 1.403314 5.424783 0.000000 4.038291 7.863037 3.581411 2.746905 3.683722 4.731566 5.809722 6.563115 2.532385 4.130761 3.477018 3.391684 1.397689 5.495589 2.387879 0.000000 2.683238 8.026782 4.347586 4.863612 2.346800 5.904400 6.542135 8.035304 3.869972 5.336062 4.515952 5.332612 2.438460 6.703288 1.390237 2.766364 0.000000 4.540719 6.644424 4.764278 4.128829 2.440839 6.020057 7.049983 7.918640 3.834884 5.333567 4.681902 4.641079 2.445413 6.766770 2.784060 1.390566 2.415816 0.000000 3.993137 6.745877 5.063885 5.007440 1.375546 6.513811 7.358319 8.568022 4.351324 5.836134 5.101766 5.473366 2.815422 7.283708 2.406164 2.396551 1.392264 1.393128 0.000000 5.763427 13.015456 3.697231 3.005798 8.707680 1.352433 2.213836 1.320782 3.264323 3.999485 2.529072 3.901715 4.668734 3.711207 5.656130 5.312255 6.936043 6.657971 7.365355 0.000000 5.902416 14.600011 4.186786 4.554068 9.827465 2.090917 1.321478 1.363909 4.339218 4.610810 3.484341 5.154207 5.767499 3.864878 6.397834 6.748693 7.760066 8.057403 8.496152 2.096506 0.000000 6.269791 4.523055 7.286554 6.972920 1.384333 8.786153 9.706231 10.765770 6.576539 7.842121 7.388017 7.281393 5.074763 9.342603 4.770119 4.262642 3.595255 2.888123 2.388897 9.517192 10.804241 0.000000 7.354665 4.022300 8.461747 7.972986 2.375609 9.691244 10.658073 11.662988 7.625230 9.060729 8.281526 8.406585 6.140360 10.541114 5.870136 5.239673 4.680974 3.856059 3.480706 10.382811 11.750328 1.390387 0.000000 6.682347 4.021255 7.299675 6.973853 2.421784 9.103766 10.034344 10.973453 6.736845 7.615986 7.781327 7.016221 5.324370 9.133536 5.169179 4.457263 4.154584 3.223919 3.011529 9.751343 11.066646 1.393786 2.420675 0.000000 8.627082 2.727415 9.512722 8.868347 3.654402 10.794774 11.819846 12.684128 8.678871 9.968935 9.419264 9.200849 7.236808 11.458686 7.090368 6.205027 5.945311 4.846289 4.684829 11.389665 12.861288 2.407352 1.393128 2.794779 0.000000 8.057912 2.727260 8.489191 7.974124 3.682760 10.263882 11.254425 12.045759 7.902882 8.669533 8.976281 7.942418 6.552382 10.171507 6.517291 5.552869 5.536997 4.353442 4.343381 10.809686 12.233100 2.407304 2.793229 1.391212 2.424265 0.000000 8.922782 1.758292 9.512237 8.856185 4.147331 11.043104 12.079954 12.849016 8.789036 9.781448 9.718918 8.980371 7.401780 11.278560 7.354222 6.326130 6.289048 5.038342 5.018101 11.573702 13.071473 2.764769 2.403537 2.404383 1.391344 1.393135 0.000000 4.446897 10.957496 2.053882 3.200204 7.064928 4.636608 4.991148 5.666234 3.088210 1.093862 4.386041 2.181819 3.716647 2.162763 4.276940 4.450921 5.321284 5.471176 5.837264 5.087061 5.559904 7.706521 9.000192 7.342250 9.865009 8.373114 9.573477 0.000000 2.761103 11.555714 2.718806 3.326692 6.288525 2.055525 2.510254 4.217756 2.165218 4.041600 1.086791 4.362687 2.757924 4.602474 2.993486 3.904268 4.225763 4.924033 5.048626 3.344046 3.760167 7.404151 8.293662 7.906251 9.520111 9.179110 9.904630 4.769483 0.000000 4.115887 10.925462 3.349872 2.617400 6.236745 2.084651 3.240872 3.997590 2.147940 4.306345 1.091481 3.994898 2.733679 4.933469 3.575185 3.299569 4.630552 4.421921 4.981685 2.788002 4.122693 7.134311 7.884116 7.628915 8.992275 8.762877 9.376773 5.186949 1.777085 0.000000 6.069381 10.855802 3.228922 2.047339 7.731945 4.211662 5.089052 4.668665 3.189161 2.210352 4.232724 1.089803 4.132875 2.670984 5.354632 4.258680 6.388278 5.497409 6.443837 3.927568 5.264490 8.135584 9.212927 7.806495 9.921586 8.622763 9.641307 2.849235 5.139609 4.587881 0.000000 5.142498 9.326775 2.881425 2.081641 6.144605 4.736781 5.648577 5.851780 2.759676 2.193264 4.202336 1.096162 3.044159 3.456335 4.145533 3.009143 4.961479 4.057547 4.919192 4.901130 6.195391 6.503604 7.660239 6.100166 8.371019 6.963451 8.049354 2.364928 4.922859 4.534536 1.788924 0.000000 6.268394 12.935339 3.373192 3.864398 9.274537 4.589008 4.745430 4.561383 4.262854 2.158253 5.073151 2.912995 5.463570 1.094371 6.279548 6.142329 7.489081 7.378607 7.969805 4.477073 4.689787 9.889982 11.108488 9.543378 11.935738 10.487137 11.640015 2.476315 5.665804 5.862505 2.691175 3.668840 0.000000 5.609719 13.001910 2.737691 3.014768 8.906575 2.915138 3.117478 2.850325 3.321957 2.165484 3.676771 2.766680 4.784600 1.091690 5.675851 5.576704 7.002991 6.926527 7.541015 2.749243 3.020516 9.650604 10.768795 9.545622 11.704613 10.582541 11.607207 3.072308 4.329861 4.448944 2.688682 3.816868 1.777121 0.000000 5.122969 13.295624 2.639326 4.020900 8.944219 3.852448 3.605064 4.170945 3.827395 2.152501 4.360442 3.496898 5.061065 1.091172 5.580698 6.081363 6.878934 7.300721 7.637863 4.176136 3.783320 9.775909 11.003866 9.614809 11.988980 10.721573 11.848467 2.521960 4.655859 5.346288 3.738296 4.300852 1.775167 1.769773 0.000000 4.900736 8.066850 3.823248 2.323975 4.572075 4.648339 5.857119 6.225424 2.685364 4.097922 3.598610 3.011850 2.132809 5.350091 3.366546 1.082316 3.848623 2.140181 3.377216 4.953478 6.624989 4.941825 5.814520 5.012029 6.628945 5.929299 6.666512 4.549936 4.280378 3.294463 3.669011 2.679228 5.895172 5.314309 6.092746 0.000000 2.801483 8.336383 5.050993 5.844535 2.544429 6.630382 7.112094 8.787365 4.746771 6.097980 5.276543 6.267621 3.419184 7.414212 2.154613 3.847857 1.081534 3.391358 2.142569 7.753080 8.379496 3.870206 4.880256 4.512052 6.178074 5.889823 6.590833 5.991648 4.804318 5.454177 7.342203 5.908933 8.219058 7.766952 7.460036 4.930098 0.000000 5.622307 5.809084 5.668624 4.723628 2.715517 6.798672 7.913189 8.582047 4.684761 6.083448 5.515049 5.189090 3.420735 7.503621 3.865850 2.152388 3.399136 1.081858 2.155616 7.292725 8.848960 2.640929 3.388252 2.882520 4.161228 3.753192 4.300734 6.218082 5.856163 5.125468 5.913937 4.513156 8.027805 7.630716 8.128618 2.470722 4.287473 0.000000 6.208025 12.449495 4.054740 2.710268 8.522627 2.135892 3.238273 2.149855 3.360579 4.193905 2.854546 3.686093 4.631973 4.101979 5.792517 4.993123 6.976744 6.323578 7.201547 1.077858 3.154445 9.204435 10.009218 9.402379 10.930424 10.369685 11.084573 5.277740 3.839950 2.788922 3.575473 4.603412 4.729514 3.181369 4.777666 4.443560 7.884704 6.822468 0.000000 6.543176 15.607594 4.967691 5.562281 10.739144 3.131332 2.099837 2.154494 5.297522 5.337555 4.470830 6.039940 6.709780 4.400234 7.234390 7.754459 8.601005 9.049899 9.419611 3.137602 1.079162 11.755038 12.723460 12.011880 13.856428 13.199504 14.064417 6.200356 4.602907 5.147317 6.113083 7.087131 5.136320 3.647242 4.111947 7.667750 9.147151 9.871329 4.167264 0.000000 7.330909 4.888015 8.675456 8.215027 2.580048 9.660546 10.597240 11.674623 7.769924 9.414149 8.235144 8.804519 6.294766 10.856658 5.939880 5.491406 4.743184 4.164693 3.679572 10.399055 11.718743 2.139000 1.082777 3.393953 2.160833 3.875813 3.393685 9.437266 8.163838 7.772677 9.636628 8.159125 11.505641 11.013601 11.278398 6.108303 4.854463 3.818077 10.061189 12.680664 0.000000 6.097862 4.881329 6.558233 6.418477 2.663693 8.600213 9.468986 10.434634 6.159100 6.793509 7.331602 6.301921 4.815115 8.309569 4.658699 4.101538 3.789302 3.081271 2.866675 9.264048 10.485234 2.148599 3.397718 1.082989 3.877684 2.154180 3.391595 6.424366 7.463159 7.317649 7.117079 5.357784 8.681780 8.804576 8.759126 4.693655 4.187666 3.002952 8.974849 11.396868 4.279422 0.000000 9.500856 2.863057 10.449672 9.724109 4.527717 11.571725 12.616784 13.450715 9.550708 10.939773 10.196323 10.131166 8.121525 12.415096 7.980131 7.070125 6.828256 5.728053 5.584974 12.144297 13.653365 3.392315 2.155016 3.876981 1.082240 3.402066 2.148919 10.880586 10.289104 9.693864 10.826871 9.329789 12.908809 12.612413 12.957619 7.449659 7.024429 5.004444 11.655065 14.658258 2.501444 4.959899 0.000000 8.572956 2.861044 8.755272 8.245639 4.569127 10.687372 11.670224 12.373845 8.277519 8.768766 9.467179 8.033796 7.022275 10.244535 7.065418 6.039242 6.192805 4.982704 5.075488 11.172112 12.594980 3.392982 3.875498 2.153135 3.401443 1.082325 2.149980 8.384189 9.729102 9.319415 8.642304 6.994007 10.452059 10.719965 10.818682 6.325908 6.572397 4.401278 10.715621 13.547381 4.958110 2.491421 4.290212 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4253615 0.0613231 0.0584070 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= 714 714 714 714 714 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 2674.6875405619 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 -0.0525193339 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2677.0486474636 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 -0.0526773628 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2677.9760501697 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 -0.0527624450 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2677.0706133564 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 -0.0527054711 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2677.3274424866 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 -0.0526651372 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2677.8142154053 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 -0.0527050532 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2677.5845169675 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 -0.0526779170 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2677.4272533298 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 -0.0526765705 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2677.2917773144 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 -0.0526725537 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2677.2093655052 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 -0.0526724132 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2677.1170503228 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 -0.0526749712 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2677.1291692195 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 -0.0526808348 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2677.1525510670 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 -0.0526862165 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2677.1960572457 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 -0.0526877594 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2677.2786131167 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 -0.0526880048 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2677.2755127288 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 -0.0526834690 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2677.3076179316 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 -0.0526787588 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2677.3296413364 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 -0.0526757571 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2677.3241099186 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 -0.0526736319 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= 1.26D-06 NBF= 712 NBsUse= 709 1.00D-06 EigRej= 5.92D-07 NBFU= 709 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= 716 716 716 716 716 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 1 1 -2044.33229319190 -2044.57216199331 -0.239868801407 -2044.89069726268 -0.318535269374 -2044.91672339306 -0.026026130374 -2044.93623151661 -0.019508123556 -2044.93695072853 -0.000719211916 -2044.93707230604 -0.000121577516 -2044.93707948500 -0.000007178955 -2044.93708021556 -0.000000730564 -2044.93708039653 -0.000000180964 -2044.93708041186 -0.000000015334 -2044.93708041427 -0.000000002410 -2044.93708041447 -0.000000000196 -2044.93708041423 0.000000000235 -2044.93708041435 -0.000000000120 -2044.93708041438 -0.000000000025 -2044.93708041 16 2.039050696154e+03 -1.020703647378e+04 3.423661873812e+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. -1.31576430e+00 -6.91837947e-01 1.78421111e-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 0.009772847 0.001500660 -0.011481348 -0.011321901 0.004754927 0.008045526 0.007828619 0.003921862 -0.011495718 -0.001635640 -0.010838632 0.011475004 -0.002344631 -0.002131070 -0.012121814 -0.012152439 -0.000554413 0.001916604 0.003842055 0.005270892 -0.018088994 0.010818367 -0.003863458 0.009964626 -0.008895695 -0.006984743 -0.006913595 0.003716501 0.008720820 0.006375681 -0.005410379 -0.004104919 -0.004488412 0.000206821 0.009559711 0.008534534 -0.001067952 -0.000095336 0.000770616 0.004777551 -0.000239238 0.000993468 -0.003923934 -0.000505501 0.002516252 -0.000389750 -0.001660161 0.005413147 -0.001596105 0.001081596 -0.004522128 -0.003076787 -0.001768135 0.004348778 0.006834825 0.000309892 0.001933052 -0.010714583 -0.004071641 0.012619804 0.017613034 0.000121090 -0.003455995 -0.005387937 0.001207675 0.004763620 -0.001472523 -0.003719377 -0.003407699 0.004010764 0.003576953 0.000338430 -0.004388674 -0.003310728 -0.000923120 0.001762032 0.004379080 0.002964161 0.004931907 -0.002025200 -0.003598031 -0.000698776 0.000029619 -0.001068100 0.000388604 0.001865773 -0.000034933 -0.000227103 0.000673066 0.001692931 0.000471461 -0.001000950 -0.000137891 -0.001304168 -0.000662880 -0.001164281 -0.000008846 0.001676020 0.001833795 -0.001123121 -0.002150343 -0.000377252 -0.000223023 0.000146376 -0.002110575 0.001832372 -0.000083314 0.000709786 -0.000825744 0.000159132 -0.000051025 -0.001070609 0.000621590 -0.000659213 -0.000799646 0.000895432 -0.000462064 0.000550057 0.000065608 -0.000274701 0.001254309 -0.000555123 -0.000777054 0.001039798 -0.000902076 -0.000677015 -0.001167963 -0.000167433 0.000298943 -0.000423997 0.000856896 0.000782201 0.018088994 0.005083283 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -2044.94201843748 -2044.94201980332 -0.000001365848 -2044.94201979707 0.000000006257 -2044.94201982305 -0.000000025983 -2044.94201982474 -0.000000001689 -2044.94201982503 -0.000000000295 -2044.94201982490 0.000000000131 -2044.94201982502 -0.000000000115 -2044.94201982511 -0.000000000087 -2044.94201983 9 2.038244467862e+03 -1.016223268970e+04 3.401774765721e+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) PT227072.800S Mon Jul 19 05:54:34 2021 -1.38194808e+00 -7.45765831e-01 2.50190060e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -2044.9420198 3.618E-9 8.041E-6 -12.7013024,7.7767892,4.9245132,15.5385428,3.557918,4.7428187 C01 [X(C19H17Cl2N3O3)] -1.243421 0.7019782 0.6997664 -0.000001886 0.000001854 -0.000003577 -0.000000292 0.000000317 0.000000817 0.000023087 0.000017582 0.000007101 0.000004409 -0.000002991 -0.000019195 -0.000001635 0.000002405 0.000002555 0.000011401 -0.000004961 -0.000010632 -0.000005171 -0.000013826 0.000024337 -0.000013018 -0.000005539 -0.000027813 -0.000027852 -0.000026597 0.000014669 -0.000007906 -0.000011388 -0.000014649 -0.000007058 0.000003929 0.000006264 -0.000004479 0.000017494 0.000014506 0.000010930 0.000004616 -0.000007982 0.000009139 0.000003441 0.000008334 -0.000006538 -0.000000914 0.000015100 -0.000009837 0.000001004 -0.000004934 0.000006051 -0.000001238 -0.000008195 0.000001747 0.000007752 -0.000002439 0.000005276 -0.000007528 0.000009469 0.000008890 0.000013456 0.000000535 0.000006722 0.000011483 0.000009322 -0.000001645 0.000003796 -0.000000196 0.000004547 0.000001035 -0.000003358 -0.000002770 -0.000001860 0.000005133 -0.000003932 0.000008154 0.000007823 0.000000784 -0.000002688 -0.000000537 0.000006784 -0.000009629 -0.000011506 -0.000002453 -0.000001524 0.000004286 0.000003065 0.000004432 0.000002718 -0.000000474 0.000002212 -0.000000143 0.000002644 -0.000003632 -0.000003951 0.000003215 -0.000004591 -0.000002389 -0.000001999 -0.000003669 -0.000003975 -0.000003188 -0.000000088 -0.000001696 -0.000001628 -0.000001890 0.000000920 0.000000095 -0.000001064 -0.000002750 -0.000000808 0.000000405 0.000002582 -0.000001484 0.000000565 -0.000001849 -0.000003464 -0.000000818 -0.000003519 0.000000831 -0.000000278 -0.000001454 0.000001049 0.000002327 0.000000536 0.000000379 -0.000001410 -0.000000431 0.000000564 0.000001744 0.000000217 -0.000002094 -0.000001877 -0.000000053 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-CIBELES2-329 PAULAPLA Optimization difenoconazole_RS CONF131 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_RS CONF131 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_RS/gas/CONF131/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 1.7588 1.7583 1.4137 1.4419 1.4191 1.431 1.3755 1.3843 1.3589 1.4485 1.3524 1.3215 1.3208 1.3639 1.5403 1.5368 1.5358 1.5204 1.0939 1.0868 1.0915 1.0898 1.0962 1.4033 1.3977 1.0944 1.0917 1.0912 1.3902 1.3906 1.0823 1.3923 1.0815 1.3931 1.0819 1.0779 1.0792 1.3904 1.3938 1.3931 1.0828 1.3912 1.083 1.3913 1.0822 1.3931 1.0823 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 26 110.1548 106.5508 119.8977 121.3979 109.4755 129.0614 102.5287 102.6764 106.2974 110.5714 111.3262 107.0791 111.0465 110.3666 102.8072 109.9922 107.3872 114.5657 111.0203 110.5804 112.479 107.4834 109.5144 109.8048 108.1894 109.3375 103.2754 107.8539 110.214 113.5858 111.7972 109.8432 123.7868 119.2255 116.971 110.192 110.9282 109.9264 108.767 108.6291 108.3401 122.0171 116.3895 121.5916 122.5747 118.0763 119.3485 119.7081 120.8018 119.4896 118.8411 120.5356 120.6229 115.9646 123.6686 120.2965 110.3313 122.6098 127.0536 114.9878 121.6925 123.319 117.7764 121.3214 120.7874 119.7335 119.2178 121.0482 119.6245 119.8143 120.5612 119.3541 120.5356 120.1099 119.4318 120.5143 120.0512 119.5275 119.4075 121.065 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 -12.3374 -128.2216 108.7142 -8.0234 114.4147 -125.1944 29.2814 147.4977 -91.9495 -33.5512 -154.0755 86.0152 -156.8487 26.1988 -127.6664 56.1991 177.5062 0.1907 -102.7227 18.2593 136.9419 74.0173 -165.0007 -46.3181 -0.1868 179.0306 -177.2356 1.9818 -0.14 179.5814 0.0933 -179.0807 0.0333 -179.6831 55.7448 -63.8975 176.8416 -59.6513 -179.2936 61.4455 179.3643 59.722 -59.5389 49.9267 -131.6028 168.1567 -13.3727 -73.2546 105.216 25.0455 141.5797 -93.425 -94.2572 22.277 147.2723 139.606 -103.8598 21.1355 174.249 -65.244 54.5559 -70.5581 49.9489 169.7487 55.8066 176.3136 -63.8866 0.4517 179.943 -178.0506 1.4407 -179.7762 -0.0299 -1.2025 178.5439 178.8884 -0.8422 -0.6301 179.6393 0.1448 179.8914 -179.5984 0.1482 -177.5534 -0.4908 2.1807 179.2434 177.5542 0.7276 -2.1922 -179.0188 -176.3889 3.3607 -0.2326 179.5169 176.6453 -3.3691 0.6266 -179.3878 -0.3021 179.9342 179.9531 0.1894 -0.4789 -179.8889 179.5356 0.1256 -179.6309 0.4479 0.1338 -179.7874 -179.9767 -0.0553 -0.5639 179.3574 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00065 0.00179 0.00328 0.00353 0.00628 0.00832 0.01011 0.01234 0.01269 0.01342 0.01689 0.01742 0.01779 0.01815 0.01839 0.02115 0.02150 0.02323 0.02341 0.02486 0.02491 0.02613 0.02728 0.02728 0.02935 0.02947 0.03096 0.03591 0.03663 0.03758 0.04251 0.04387 0.04434 0.04471 0.04984 0.05151 0.05627 0.05838 0.05994 0.06871 0.07265 0.08424 0.09180 0.09486 0.10237 0.10482 0.10769 0.10832 0.11115 0.11243 0.11442 0.11560 0.11575 0.11577 0.11954 0.12261 0.12321 0.12479 0.14622 0.15523 0.15788 0.16148 0.16203 0.17645 0.17767 0.17809 0.18269 0.19332 0.19402 0.19822 0.20691 0.20961 0.21926 0.22069 0.23004 0.23434 0.24395 0.24545 0.24843 0.24968 0.25481 0.25892 0.27970 0.28928 0.29373 0.29920 0.30741 0.31397 0.31852 0.32788 0.33177 0.33423 0.33729 0.33953 0.34135 0.34332 0.34612 0.35261 0.35585 0.35832 0.35921 0.36105 0.36204 0.36332 0.36361 0.36518 0.36842 0.37268 0.37340 0.38240 0.40597 0.41179 0.41222 0.41398 0.42904 0.44388 0.45883 0.46324 0.46465 0.46752 0.48572 0.50948 0.50987 0.51532 0.52019 0.60092 Angle between quadratic step and forces= 70.10 degrees. 1 2 0.00062256 0.00000022 0.00000011 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 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 3.32366 3.32269 2.67149 2.72489 2.68173 2.70415 2.59941 2.61601 2.56790 2.73729 2.55573 2.49723 2.49592 2.57742 2.91084 2.90422 2.90220 2.87322 2.06710 2.05374 2.06260 2.05943 2.07145 2.65188 2.64125 2.06806 2.06300 2.06202 2.62717 2.62779 2.04528 2.63100 2.04380 2.63263 2.04442 2.03686 2.03932 2.62745 2.63387 2.63263 2.04615 2.62901 2.04655 2.62926 2.04514 2.63264 2.04530 1.92256 1.85966 2.09261 2.11879 1.91071 2.25255 1.78946 1.79204 1.85524 1.92983 1.94301 1.86888 1.93813 1.92626 1.79432 1.91973 1.87426 1.99955 1.93767 1.92999 1.96313 1.87594 1.91139 1.91645 1.88826 1.90830 1.80250 1.88241 1.92360 1.98245 1.95123 1.91713 2.16049 2.08088 2.04153 1.92321 1.93606 1.91858 1.89834 1.89593 1.89089 2.12960 2.03138 2.12217 2.13933 2.06082 2.08302 2.08930 2.10839 2.08549 2.07417 2.10374 2.10527 2.02396 2.15842 2.09957 1.92564 2.13994 2.21750 2.00692 2.12394 2.15232 2.05559 2.11746 2.10814 2.08974 2.08074 2.11269 2.08784 2.09115 2.10419 2.08312 2.10374 2.09631 2.08448 2.10337 2.09529 2.08615 2.08405 2.11298 -0.21533 -2.23789 1.89742 -0.14003 1.99691 -2.18505 0.51106 2.57432 -1.60482 -0.58558 -2.68913 1.50125 -2.73753 0.45726 -2.22820 0.98086 3.09807 0.00333 -1.79285 0.31869 2.39009 1.29185 -2.87981 -0.80840 -0.00326 3.12467 -3.09334 0.03459 -0.00244 3.13429 0.00163 -3.12555 0.00058 -3.13606 0.97293 -1.11522 3.08647 -1.04111 -3.12926 1.07243 3.13050 1.04234 -1.03915 0.87138 -2.29690 2.93489 -0.23340 -1.27853 1.83636 0.43713 2.47103 -1.63057 -1.64510 0.38881 2.57039 2.43658 -1.81270 0.36888 3.04122 -1.13872 0.95218 -1.23147 0.87177 2.96267 0.97401 3.07725 -1.11503 0.00788 3.14060 -3.10757 0.02514 -3.13769 -0.00052 -0.02099 3.11618 3.12219 -0.01470 -0.01100 3.13530 0.00253 3.13970 -3.13458 0.00259 -3.09889 -0.00857 0.03806 3.12839 3.09891 0.01270 -0.03826 -3.12447 -3.07857 0.05865 -0.00406 3.13316 3.08304 -0.05880 0.01094 -3.13091 -0.00527 3.14044 3.14077 0.00331 -0.00836 -3.13965 3.13349 0.00219 -3.13515 0.00782 0.00234 -3.13788 -3.14119 -0.00097 -0.00984 3.13038 0.00000 0.00000 0.00002 -0.00001 -0.00001 0.00001 -0.00000 -0.00000 -0.00001 0.00000 -0.00001 -0.00001 -0.00001 -0.00002 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 0.00000 -0.00001 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -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 0.00001 -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 0.00001 -0.00001 0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 -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 0.00001 -0.00000 0.00001 0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.00010 -0.00008 -0.00008 0.00004 -0.00001 -0.00002 -0.00005 0.00002 -0.00001 -0.00001 -0.00002 -0.00004 -0.00004 -0.00003 0.00003 0.00002 0.00000 -0.00001 -0.00000 -0.00001 -0.00002 -0.00002 0.00001 -0.00002 -0.00000 -0.00000 -0.00002 -0.00001 -0.00000 0.00001 -0.00001 -0.00002 -0.00001 -0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00001 -0.00001 -0.00000 -0.00003 -0.00000 -0.00001 -0.00001 -0.00001 0.00004 0.00012 0.00002 -0.00001 -0.00002 0.00003 0.00003 -0.00003 -0.00010 -0.00000 0.00003 0.00005 0.00005 0.00006 -0.00004 0.00006 -0.00002 -0.00006 0.00001 -0.00001 -0.00004 0.00004 -0.00003 0.00002 0.00004 -0.00001 -0.00003 -0.00002 -0.00003 0.00002 0.00006 0.00003 -0.00000 -0.00003 0.00003 -0.00005 -0.00002 0.00003 0.00002 -0.00001 0.00002 -0.00004 0.00002 0.00003 -0.00002 -0.00001 -0.00001 0.00002 -0.00001 -0.00002 0.00000 0.00001 -0.00006 0.00006 0.00000 -0.00001 -0.00003 0.00004 -0.00004 0.00001 0.00003 -0.00006 0.00005 0.00000 0.00000 -0.00001 0.00001 -0.00001 -0.00000 0.00001 -0.00002 0.00002 0.00000 0.00000 0.00002 -0.00002 -0.00000 -0.00002 0.00002 -0.00027 -0.00024 -0.00024 0.00031 0.00031 0.00033 0.00010 -0.00001 0.00010 0.00010 0.00015 0.00011 -0.00068 -0.00073 -0.00026 -0.00024 -0.00016 0.00000 -0.00011 -0.00019 -0.00015 -0.00031 -0.00039 -0.00035 -0.00007 0.00004 0.00011 0.00022 0.00007 -0.00003 0.00010 -0.00001 -0.00010 -0.00001 -0.00016 -0.00008 -0.00011 -0.00009 -0.00001 -0.00004 -0.00019 -0.00011 -0.00015 -0.00002 -0.00006 -0.00003 -0.00007 0.00007 0.00002 -0.00026 -0.00031 -0.00024 -0.00024 -0.00029 -0.00022 -0.00018 -0.00024 -0.00017 -0.00002 0.00001 -0.00005 0.00002 0.00005 -0.00001 -0.00007 -0.00004 -0.00010 -0.00002 -0.00005 0.00002 -0.00001 -0.00000 -0.00000 -0.00004 -0.00004 0.00001 -0.00001 0.00003 0.00002 0.00006 -0.00001 0.00006 -0.00001 -0.00007 -0.00002 -0.00005 0.00000 0.00002 -0.00003 0.00009 0.00004 0.00003 0.00003 0.00001 0.00001 -0.00003 -0.00002 -0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00001 -0.00002 -0.00000 -0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00001 -0.00001 -0.00000 0.00001 0.00001 0.00010 -0.00008 -0.00008 0.00004 -0.00001 -0.00002 -0.00005 0.00002 -0.00001 -0.00001 -0.00002 -0.00004 -0.00004 -0.00003 0.00003 0.00002 0.00000 -0.00001 -0.00000 -0.00001 -0.00002 -0.00002 0.00001 -0.00002 -0.00000 -0.00000 -0.00002 -0.00001 -0.00000 0.00001 -0.00001 -0.00002 -0.00001 -0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00001 -0.00001 -0.00000 -0.00003 -0.00000 -0.00001 -0.00001 -0.00001 0.00004 0.00012 0.00002 -0.00001 -0.00002 0.00003 0.00003 -0.00003 -0.00010 -0.00000 0.00003 0.00005 0.00005 0.00006 -0.00004 0.00006 -0.00002 -0.00006 0.00001 -0.00001 -0.00004 0.00004 -0.00003 0.00002 0.00004 -0.00001 -0.00003 -0.00002 -0.00003 0.00002 0.00006 0.00003 -0.00000 -0.00003 0.00003 -0.00005 -0.00002 0.00003 0.00002 -0.00001 0.00002 -0.00004 0.00002 0.00003 -0.00002 -0.00001 -0.00001 0.00002 -0.00001 -0.00002 0.00000 0.00001 -0.00006 0.00006 0.00000 -0.00001 -0.00003 0.00004 -0.00004 0.00001 0.00003 -0.00006 0.00005 0.00000 0.00000 -0.00001 0.00001 -0.00001 -0.00000 0.00001 -0.00002 0.00002 0.00000 0.00000 0.00002 -0.00002 -0.00000 -0.00002 0.00002 -0.00027 -0.00024 -0.00024 0.00031 0.00031 0.00033 0.00010 -0.00001 0.00010 0.00010 0.00015 0.00011 -0.00068 -0.00073 -0.00026 -0.00024 -0.00016 0.00000 -0.00011 -0.00019 -0.00015 -0.00031 -0.00039 -0.00035 -0.00007 0.00004 0.00011 0.00022 0.00007 -0.00003 0.00010 -0.00001 -0.00010 -0.00001 -0.00016 -0.00008 -0.00011 -0.00009 -0.00001 -0.00004 -0.00019 -0.00011 -0.00015 -0.00002 -0.00006 -0.00003 -0.00007 0.00007 0.00002 -0.00026 -0.00031 -0.00024 -0.00024 -0.00029 -0.00022 -0.00018 -0.00024 -0.00017 -0.00002 0.00001 -0.00005 0.00002 0.00005 -0.00001 -0.00007 -0.00004 -0.00010 -0.00002 -0.00005 0.00002 -0.00001 -0.00000 -0.00000 -0.00004 -0.00004 0.00001 -0.00001 0.00003 0.00002 0.00006 -0.00001 0.00006 -0.00001 -0.00007 -0.00002 -0.00005 0.00000 0.00002 -0.00003 0.00009 0.00004 0.00003 0.00003 0.00001 0.00001 -0.00003 -0.00002 -0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00001 -0.00002 -0.00000 -0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00001 -0.00001 -0.00000 3.32368 3.32270 2.67158 2.72481 2.68166 2.70419 2.59939 2.61599 2.56786 2.73730 2.55572 2.49722 2.49590 2.57738 2.91080 2.90418 2.90223 2.87324 2.06710 2.05373 2.06260 2.05942 2.07142 2.65186 2.64125 2.06804 2.06299 2.06201 2.62715 2.62778 2.04528 2.63101 2.04380 2.63261 2.04441 2.03685 2.03932 2.62745 2.63387 2.63263 2.04614 2.62900 2.04655 2.62923 2.04513 2.63263 2.04529 1.92256 1.85970 2.09273 2.11881 1.91070 2.25253 1.78949 1.79207 1.85521 1.92974 1.94301 1.86891 1.93817 1.92631 1.79439 1.91969 1.87432 1.99953 1.93761 1.93000 1.96312 1.87590 1.91142 1.91642 1.88828 1.90833 1.80249 1.88237 1.92358 1.98242 1.95125 1.91718 2.16052 2.08088 2.04150 1.92324 1.93601 1.91856 1.89837 1.89595 1.89088 2.12962 2.03134 2.12219 2.13936 2.06080 2.08302 2.08929 2.10841 2.08547 2.07415 2.10375 2.10528 2.02390 2.15849 2.09957 1.92563 2.13992 2.21755 2.00688 2.12394 2.15235 2.05553 2.11751 2.10814 2.08975 2.08073 2.11270 2.08783 2.09115 2.10420 2.08310 2.10376 2.09632 2.08448 2.10339 2.09527 2.08615 2.08403 2.11300 -0.21560 -2.23813 1.89719 -0.13972 1.99722 -2.18472 0.51116 2.57431 -1.60473 -0.58548 -2.68898 1.50136 -2.73821 0.45652 -2.22846 0.98062 3.09791 0.00333 -1.79296 0.31850 2.38994 1.29153 -2.88019 -0.80875 -0.00333 3.12471 -3.09323 0.03481 -0.00238 3.13426 0.00173 -3.12556 0.00048 -3.13607 0.97277 -1.11530 3.08636 -1.04120 -3.12927 1.07238 3.13030 1.04223 -1.03930 0.87136 -2.29697 2.93486 -0.23347 -1.27847 1.83639 0.43687 2.47072 -1.63082 -1.64534 0.38851 2.57016 2.43640 -1.81294 0.36872 3.04120 -1.13871 0.95213 -1.23145 0.87182 2.96267 0.97394 3.07721 -1.11513 0.00786 3.14055 -3.10755 0.02514 -3.13769 -0.00052 -0.02103 3.11614 3.12220 -0.01471 -0.01096 3.13532 0.00258 3.13969 -3.13453 0.00258 -3.09896 -0.00858 0.03801 3.12839 3.09893 0.01267 -0.03817 -3.12443 -3.07854 0.05868 -0.00405 3.13317 3.08301 -0.05882 0.01093 -3.13090 -0.00527 3.14044 3.14077 0.00330 -0.00836 -3.13964 3.13347 0.00219 -3.13515 0.00781 0.00234 -3.13789 -3.14118 -0.00095 -0.00985 3.13038 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000018 0.000004 0.003030 0.000623 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -1.847367e-08 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2677.3241099186 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 -0.0526736319 0.000000 10.638862 0.000000 3.031645 11.052720 0.000000 4.588567 10.260393 2.266796 0.000000 5.018777 5.905438 6.398195 6.359081 0.000000 4.497966 12.581555 2.874328 2.846364 7.844339 0.000000 4.624982 13.663817 3.304402 3.983568 8.663317 1.358876 0.000000 6.553410 14.291353 4.453300 4.142968 9.918115 2.194267 2.264794 0.000000 3.197620 10.332835 1.413689 1.419112 5.724651 2.485364 3.411093 4.347673 0.000000 4.349386 11.193912 1.441949 2.327145 7.150753 3.626372 4.090116 4.621494 2.341468 0.000000 3.459926 11.301037 2.429295 2.381287 6.415719 1.448509 2.448603 3.605883 1.540348 3.512669 0.000000 5.031167 10.300554 2.328008 1.430972 6.782229 3.830049 4.711380 4.783477 2.284408 1.535780 3.556780 0.000000 2.771244 9.009159 2.437351 2.437674 4.188184 3.825662 4.712062 5.819084 1.536846 3.350157 2.526325 3.119410 0.000000 5.314484 12.667806 2.426951 3.220286 8.615949 3.610923 3.739321 3.897273 3.371545 1.520442 4.071525 2.571363 4.660255 0.000000 1.758807 9.052106 3.022178 3.758898 3.629391 4.589109 5.192871 6.704477 2.594198 4.142534 3.258295 4.288149 1.403314 5.424783 0.000000 4.038291 7.863037 3.581411 2.746905 3.683722 4.731566 5.809722 6.563115 2.532385 4.130761 3.477018 3.391684 1.397689 5.495589 2.387879 0.000000 2.683238 8.026782 4.347586 4.863612 2.346800 5.904400 6.542135 8.035304 3.869972 5.336062 4.515952 5.332612 2.438460 6.703288 1.390237 2.766364 0.000000 4.540719 6.644424 4.764278 4.128829 2.440839 6.020057 7.049983 7.918640 3.834884 5.333567 4.681902 4.641079 2.445413 6.766770 2.784060 1.390566 2.415816 0.000000 3.993137 6.745877 5.063885 5.007440 1.375546 6.513811 7.358319 8.568022 4.351324 5.836134 5.101766 5.473366 2.815422 7.283708 2.406164 2.396551 1.392264 1.393128 0.000000 5.763427 13.015456 3.697231 3.005798 8.707680 1.352433 2.213836 1.320782 3.264323 3.999485 2.529072 3.901715 4.668734 3.711207 5.656130 5.312255 6.936043 6.657971 7.365355 0.000000 5.902416 14.600011 4.186786 4.554068 9.827465 2.090917 1.321478 1.363909 4.339218 4.610810 3.484341 5.154207 5.767499 3.864878 6.397834 6.748693 7.760066 8.057403 8.496152 2.096506 0.000000 6.269791 4.523055 7.286554 6.972920 1.384333 8.786153 9.706231 10.765770 6.576539 7.842121 7.388017 7.281393 5.074763 9.342603 4.770119 4.262642 3.595255 2.888123 2.388897 9.517192 10.804241 0.000000 7.354665 4.022300 8.461747 7.972986 2.375609 9.691244 10.658073 11.662988 7.625230 9.060729 8.281526 8.406585 6.140360 10.541114 5.870136 5.239673 4.680974 3.856059 3.480706 10.382811 11.750328 1.390387 0.000000 6.682347 4.021255 7.299675 6.973853 2.421784 9.103766 10.034344 10.973453 6.736845 7.615986 7.781327 7.016221 5.324370 9.133536 5.169179 4.457263 4.154584 3.223919 3.011529 9.751343 11.066646 1.393786 2.420675 0.000000 8.627082 2.727415 9.512722 8.868347 3.654402 10.794774 11.819846 12.684128 8.678871 9.968935 9.419264 9.200849 7.236808 11.458686 7.090368 6.205027 5.945311 4.846289 4.684829 11.389665 12.861288 2.407352 1.393128 2.794779 0.000000 8.057912 2.727260 8.489191 7.974124 3.682760 10.263882 11.254425 12.045759 7.902882 8.669533 8.976281 7.942418 6.552382 10.171507 6.517291 5.552869 5.536997 4.353442 4.343381 10.809686 12.233100 2.407304 2.793229 1.391212 2.424265 0.000000 8.922782 1.758292 9.512237 8.856185 4.147331 11.043104 12.079954 12.849016 8.789036 9.781448 9.718918 8.980371 7.401780 11.278560 7.354222 6.326130 6.289048 5.038342 5.018101 11.573702 13.071473 2.764769 2.403537 2.404383 1.391344 1.393135 0.000000 4.446897 10.957496 2.053882 3.200204 7.064928 4.636608 4.991148 5.666234 3.088210 1.093862 4.386041 2.181819 3.716647 2.162763 4.276940 4.450921 5.321284 5.471176 5.837264 5.087061 5.559904 7.706521 9.000192 7.342250 9.865009 8.373114 9.573477 0.000000 2.761103 11.555714 2.718806 3.326692 6.288525 2.055525 2.510254 4.217756 2.165218 4.041600 1.086791 4.362687 2.757924 4.602474 2.993486 3.904268 4.225763 4.924033 5.048626 3.344046 3.760167 7.404151 8.293662 7.906251 9.520111 9.179110 9.904630 4.769483 0.000000 4.115887 10.925462 3.349872 2.617400 6.236745 2.084651 3.240872 3.997590 2.147940 4.306345 1.091481 3.994898 2.733679 4.933469 3.575185 3.299569 4.630552 4.421921 4.981685 2.788002 4.122693 7.134311 7.884116 7.628915 8.992275 8.762877 9.376773 5.186949 1.777085 0.000000 6.069381 10.855802 3.228922 2.047339 7.731945 4.211662 5.089052 4.668665 3.189161 2.210352 4.232724 1.089803 4.132875 2.670984 5.354632 4.258680 6.388278 5.497409 6.443837 3.927568 5.264490 8.135584 9.212927 7.806495 9.921586 8.622763 9.641307 2.849235 5.139609 4.587881 0.000000 5.142498 9.326775 2.881425 2.081641 6.144605 4.736781 5.648577 5.851780 2.759676 2.193264 4.202336 1.096162 3.044159 3.456335 4.145533 3.009143 4.961479 4.057547 4.919192 4.901130 6.195391 6.503604 7.660239 6.100166 8.371019 6.963451 8.049354 2.364928 4.922859 4.534536 1.788924 0.000000 6.268394 12.935339 3.373192 3.864398 9.274537 4.589008 4.745430 4.561383 4.262854 2.158253 5.073151 2.912995 5.463570 1.094371 6.279548 6.142329 7.489081 7.378607 7.969805 4.477073 4.689787 9.889982 11.108488 9.543378 11.935738 10.487137 11.640015 2.476315 5.665804 5.862505 2.691175 3.668840 0.000000 5.609719 13.001910 2.737691 3.014768 8.906575 2.915138 3.117478 2.850325 3.321957 2.165484 3.676771 2.766680 4.784600 1.091690 5.675851 5.576704 7.002991 6.926527 7.541015 2.749243 3.020516 9.650604 10.768795 9.545622 11.704613 10.582541 11.607207 3.072308 4.329861 4.448944 2.688682 3.816868 1.777121 0.000000 5.122969 13.295624 2.639326 4.020900 8.944219 3.852448 3.605064 4.170945 3.827395 2.152501 4.360442 3.496898 5.061065 1.091172 5.580698 6.081363 6.878934 7.300721 7.637863 4.176136 3.783320 9.775909 11.003866 9.614809 11.988980 10.721573 11.848467 2.521960 4.655859 5.346288 3.738296 4.300852 1.775167 1.769773 0.000000 4.900736 8.066850 3.823248 2.323975 4.572075 4.648339 5.857119 6.225424 2.685364 4.097922 3.598610 3.011850 2.132809 5.350091 3.366546 1.082316 3.848623 2.140181 3.377216 4.953478 6.624989 4.941825 5.814520 5.012029 6.628945 5.929299 6.666512 4.549936 4.280378 3.294463 3.669011 2.679228 5.895172 5.314309 6.092746 0.000000 2.801483 8.336383 5.050993 5.844535 2.544429 6.630382 7.112094 8.787365 4.746771 6.097980 5.276543 6.267621 3.419184 7.414212 2.154613 3.847857 1.081534 3.391358 2.142569 7.753080 8.379496 3.870206 4.880256 4.512052 6.178074 5.889823 6.590833 5.991648 4.804318 5.454177 7.342203 5.908933 8.219058 7.766952 7.460036 4.930098 0.000000 5.622307 5.809084 5.668624 4.723628 2.715517 6.798672 7.913189 8.582047 4.684761 6.083448 5.515049 5.189090 3.420735 7.503621 3.865850 2.152388 3.399136 1.081858 2.155616 7.292725 8.848960 2.640929 3.388252 2.882520 4.161228 3.753192 4.300734 6.218082 5.856163 5.125468 5.913937 4.513156 8.027805 7.630716 8.128618 2.470722 4.287473 0.000000 6.208025 12.449495 4.054740 2.710268 8.522627 2.135892 3.238273 2.149855 3.360579 4.193905 2.854546 3.686093 4.631973 4.101979 5.792517 4.993123 6.976744 6.323578 7.201547 1.077858 3.154445 9.204435 10.009218 9.402379 10.930424 10.369685 11.084573 5.277740 3.839950 2.788922 3.575473 4.603412 4.729514 3.181369 4.777666 4.443560 7.884704 6.822468 0.000000 6.543176 15.607594 4.967691 5.562281 10.739144 3.131332 2.099837 2.154494 5.297522 5.337555 4.470830 6.039940 6.709780 4.400234 7.234390 7.754459 8.601005 9.049899 9.419611 3.137602 1.079162 11.755038 12.723460 12.011880 13.856428 13.199504 14.064417 6.200356 4.602907 5.147317 6.113083 7.087131 5.136320 3.647242 4.111947 7.667750 9.147151 9.871329 4.167264 0.000000 7.330909 4.888015 8.675456 8.215027 2.580048 9.660546 10.597240 11.674623 7.769924 9.414149 8.235144 8.804519 6.294766 10.856658 5.939880 5.491406 4.743184 4.164693 3.679572 10.399055 11.718743 2.139000 1.082777 3.393953 2.160833 3.875813 3.393685 9.437266 8.163838 7.772677 9.636628 8.159125 11.505641 11.013601 11.278398 6.108303 4.854463 3.818077 10.061189 12.680664 0.000000 6.097862 4.881329 6.558233 6.418477 2.663693 8.600213 9.468986 10.434634 6.159100 6.793509 7.331602 6.301921 4.815115 8.309569 4.658699 4.101538 3.789302 3.081271 2.866675 9.264048 10.485234 2.148599 3.397718 1.082989 3.877684 2.154180 3.391595 6.424366 7.463159 7.317649 7.117079 5.357784 8.681780 8.804576 8.759126 4.693655 4.187666 3.002952 8.974849 11.396868 4.279422 0.000000 9.500856 2.863057 10.449672 9.724109 4.527717 11.571725 12.616784 13.450715 9.550708 10.939773 10.196323 10.131166 8.121525 12.415096 7.980131 7.070125 6.828256 5.728053 5.584974 12.144297 13.653365 3.392315 2.155016 3.876981 1.082240 3.402066 2.148919 10.880586 10.289104 9.693864 10.826871 9.329789 12.908809 12.612413 12.957619 7.449659 7.024429 5.004444 11.655065 14.658258 2.501444 4.959899 0.000000 8.572956 2.861044 8.755272 8.245639 4.569127 10.687372 11.670224 12.373845 8.277519 8.768766 9.467179 8.033796 7.022275 10.244535 7.065418 6.039242 6.192805 4.982704 5.075488 11.172112 12.594980 3.392982 3.875498 2.153135 3.401443 1.082325 2.149980 8.384189 9.729102 9.319415 8.642304 6.994007 10.452059 10.719965 10.818682 6.325908 6.572397 4.401278 10.715621 13.547381 4.958110 2.491421 4.290212 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4253615 0.0613231 0.0584070 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= 1.26D-06 NBF= 712 NBsUse= 709 1.00D-06 EigRej= 5.92D-07 NBFU= 709 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= 716 716 716 716 716 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 1 1 -2044.94201982497 -2044.94201982 1 2.038244468147e+03 -1.016223269128e+04 3.401774767022e+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. 13701 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= 720000000 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 70.30% of shell-pairs survive, threshold= 0.20 IRatSp=70. There are 135 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 132 vectors produced by pass 0 Test12= 6.34D-14 1.00D-09 XBig12= 3.54D+02 8.60D+00. AX will form 132 AO Fock derivatives at one time. 132 vectors produced by pass 1 Test12= 6.34D-14 1.00D-09 XBig12= 8.60D+01 1.14D+00. 132 vectors produced by pass 2 Test12= 6.34D-14 1.00D-09 XBig12= 7.23D-01 5.42D-02. 132 vectors produced by pass 3 Test12= 6.34D-14 1.00D-09 XBig12= 3.69D-03 3.90D-03. 132 vectors produced by pass 4 Test12= 6.34D-14 1.00D-09 XBig12= 1.07D-05 2.47D-04. 129 vectors produced by pass 5 Test12= 6.34D-14 1.00D-09 XBig12= 1.94D-08 8.18D-06. 56 vectors produced by pass 6 Test12= 6.34D-14 1.00D-09 XBig12= 2.79D-11 3.24D-07. 3 vectors produced by pass 7 Test12= 6.34D-14 1.00D-09 XBig12= 3.97D-14 1.34D-08. InvSVY: IOpt=1 It= 1 EMax= 2.84D-14 Solved reduced A of dimension 848 with 135 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 280.91 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 396.265 20.234 243.867 19.934 -0.119 202.585 492.657 35.420 414.753 39.429 13.063 333.182 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT154175.500S Mon Jul 19 08:35:24 2021 -1.38194828e+00 -7.45764478e-01 2.50189646e-01 3.96264591e+02 2.02337274e+01 2.43867402e+02 1.99341258e+01 -1.18932684e-01 2.02585359e+02 -3.2612 -1.3620 0.0013 0.0023 0.0031 1.7203 8.3667 22.5351 32.1777 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 8.3032 22.5322 32.1764 32.9643 48.8331 61.5319 78.6357 93.0651 95.9020 107.9530 127.5450 163.4249 170.0007 184.1688 186.3446 231.3816 251.8082 257.1898 278.4092 305.5519 321.1051 345.6041 359.3298 374.9390 389.2672 408.1647 419.3620 426.4348 429.9895 469.9174 486.4412 521.0234 535.2584 585.3298 632.9012 642.5384 651.4179 671.6492 681.2417 692.9660 704.2528 726.2301 734.0346 738.6762 761.5618 804.4009 820.2223 825.4147 833.0016 846.3040 859.0257 859.8113 874.0724 888.5507 896.4878 925.0834 948.4994 953.2397 958.7415 973.1640 975.2920 984.5542 993.9866 1022.8661 1029.7428 1031.1024 1063.0822 1071.5864 1084.0202 1098.9369 1123.3451 1129.2338 1157.6259 1159.8881 1168.1829 1189.5001 1194.2009 1210.1765 1216.7029 1222.6978 1233.0322 1256.5335 1257.8534 1294.8632 1305.6621 1307.1795 1316.7671 1322.3598 1327.1025 1350.3181 1373.0324 1388.2926 1392.0848 1396.7394 1418.3164 1426.4250 1434.9854 1451.7898 1476.8074 1489.1887 1497.9312 1506.1554 1515.4832 1517.8252 1539.3575 1598.8127 1620.5597 1625.9049 1643.7771 3013.9492 3031.5689 3045.7287 3079.6836 3102.4856 3111.2663 3124.4293 3163.9641 3187.7821 3191.9177 3192.5844 3203.3441 3206.2111 3206.8784 3210.4799 3246.3808 3262.8446 7.4778 7.0880 4.9871 7.0366 5.9554 5.6740 5.2571 3.5320 4.4636 5.9215 5.8612 6.4656 5.2983 6.9797 14.7834 6.0726 2.0301 1.9478 7.9202 5.1574 7.2949 5.7553 3.7091 2.5436 2.0633 10.6379 4.6232 3.0374 4.9416 3.6710 4.2509 3.8204 5.5973 4.6125 5.4507 4.2891 6.5334 6.2538 3.8758 3.6493 6.6732 4.7349 3.8076 3.5831 4.5112 6.2964 4.3979 1.2671 2.6737 1.5593 1.5753 1.6520 2.3977 1.5840 1.3995 5.9703 2.2486 1.8377 1.3864 5.8778 1.3466 1.4887 3.5313 4.7526 3.4507 4.2349 3.0166 2.5147 2.4783 3.1317 1.8418 1.3110 2.0590 2.0811 1.5615 1.2921 2.9176 1.7990 3.0016 1.8840 2.6980 3.6228 1.3044 1.6604 3.0512 7.8417 1.9608 1.9072 2.0010 2.0499 1.3503 1.8552 1.5867 1.8894 1.3070 3.1982 3.0690 2.1134 1.4246 1.0581 1.0465 2.6684 1.1010 2.4016 4.0573 7.3317 7.2548 6.0044 6.2416 1.0694 1.0400 1.0832 1.0661 1.0979 1.0991 1.1030 1.0997 1.0890 1.0891 1.0877 1.0952 1.0958 1.0941 1.0924 1.0972 1.0996 0.0003 0.0021 0.0030 0.0045 0.0084 0.0127 0.0192 0.0180 0.0242 0.0407 0.0562 0.1017 0.0902 0.1395 0.3025 0.1916 0.0758 0.0759 0.3617 0.2837 0.4432 0.4050 0.2822 0.2107 0.1842 1.0442 0.4790 0.3254 0.5383 0.4776 0.5926 0.6110 0.9448 0.9311 1.2864 1.0433 1.6335 1.6622 1.0598 1.0325 1.9500 1.4713 1.2088 1.1519 1.5415 2.4004 1.7432 0.5086 1.0931 0.6580 0.6849 0.7195 1.0793 0.7368 0.6627 3.0103 1.1919 0.9839 0.7508 3.2797 0.7547 0.8502 2.0556 2.9297 2.1558 2.6527 2.0086 1.7014 1.7159 2.2283 1.3694 0.9850 1.6257 1.6496 1.2555 1.0772 2.4515 1.5523 2.6180 1.6594 2.4168 3.3701 1.2160 1.6403 3.0647 7.8946 2.0031 1.9650 2.0764 2.2022 1.4998 2.1067 1.8116 2.1717 1.5491 3.8340 3.7235 2.6245 1.8305 1.3826 1.3834 3.5665 1.4898 3.2599 5.6645 11.0420 11.2255 9.3522 9.9365 5.7236 5.6316 5.9202 5.9573 6.2266 6.2684 6.3440 6.4862 6.5200 6.5378 6.5321 6.6215 6.6367 6.6292 6.6338 6.8129 6.8975 0.6082 0.4888 0.2116 0.9334 0.6254 0.9466 1.2716 0.2121 0.6028 0.3859 0.6957 0.5919 0.5384 0.5610 0.1815 4.3810 1.1741 0.2937 2.6087 1.3054 0.4062 5.0517 1.1772 0.9157 2.2764 18.1385 2.9373 0.0864 3.5449 4.2656 5.4943 28.6704 7.3779 3.8095 12.1113 5.6207 11.6488 29.8970 20.2568 19.5608 2.4008 1.9483 3.4294 1.2173 12.5180 6.2927 8.7697 1.6306 16.0475 24.2760 10.6341 44.0359 13.3813 19.0489 7.5417 84.6261 14.6200 8.7332 2.3446 2.5623 0.2224 9.3433 76.1729 26.2501 55.2652 113.0817 44.7661 54.3692 45.2248 76.8207 14.3891 8.3114 16.8340 25.3290 2.5905 19.3497 118.6357 18.3883 20.7970 23.7190 128.6938 543.0120 7.2659 77.7880 24.6521 20.5325 2.0669 6.6857 14.1585 0.4135 0.4285 7.4426 2.3222 3.9588 11.7643 5.2576 4.7592 42.7995 5.2076 7.1555 7.2114 329.6371 1.8848 108.2926 65.9589 34.7200 3.5994 136.8967 88.4013 31.9784 17.0818 50.4965 15.3921 13.7746 23.7862 11.5027 0.2350 5.7662 1.1238 0.7899 1.0700 0.4449 2.9824 0.8152 3.2935 1.0688 -0.04 -0.04 0.03 -0.02 0.02 0.22 -0.05 -0.05 -0.01 0.02 0.01 -0.09 0.01 -0.01 -0.20 0.06 0.04 0.07 0.03 0.03 0.15 0.08 0.06 0.12 0.01 0.00 -0.04 -0.08 -0.07 -0.05 0.06 0.04 0.02 -0.04 -0.04 -0.12 0.01 0.00 -0.08 -0.09 -0.08 0.02 -0.01 -0.02 -0.06 0.03 0.01 -0.15 -0.01 -0.02 -0.09 0.03 0.01 -0.19 0.01 -0.00 -0.16 0.09 0.06 0.06 0.04 0.04 0.17 0.01 -0.01 -0.10 -0.10 0.03 0.01 0.10 -0.04 -0.11 -0.10 0.04 0.11 0.09 -0.03 -0.01 -0.01 0.01 0.09 -0.13 -0.11 -0.07 0.05 0.03 0.06 0.10 0.07 -0.01 -0.03 -0.03 -0.14 -0.05 -0.05 -0.17 -0.12 -0.10 -0.01 -0.04 -0.04 0.03 -0.12 -0.10 0.07 0.04 0.03 -0.17 -0.03 -0.03 -0.07 0.04 0.03 -0.24 0.11 0.07 -0.00 0.03 0.03 0.23 -0.17 0.05 0.01 0.18 -0.07 -0.19 -0.18 0.07 0.19 0.17 -0.05 -0.02 0.03 0.03 -0.00 0.18 -0.16 -0.00 -0.06 -0.02 -0.02 -0.08 0.04 -0.08 -0.01 0.11 0.05 -0.01 -0.02 0.02 0.01 -0.07 0.06 -0.05 -0.09 0.04 -0.04 0.03 -0.04 -0.13 -0.04 -0.05 0.01 0.03 -0.00 -0.13 0.01 -0.10 -0.03 0.07 -0.05 -0.15 -0.10 -0.01 0.00 0.07 -0.02 -0.04 0.10 -0.06 0.01 0.09 0.00 -0.04 0.12 -0.03 -0.01 0.11 0.00 -0.04 -0.03 0.00 -0.02 -0.11 0.07 0.01 0.08 0.05 0.07 -0.06 -0.03 0.00 0.15 0.12 0.11 -0.13 -0.04 0.05 0.08 0.11 0.11 -0.06 0.02 -0.16 -0.05 -0.06 0.04 0.03 0.03 0.02 0.08 -0.02 -0.16 -0.00 -0.11 -0.14 0.03 -0.13 -0.20 -0.12 -0.03 -0.12 -0.09 0.00 -0.13 -0.13 0.03 -0.06 0.11 -0.08 0.03 0.09 0.03 -0.05 0.14 -0.03 -0.06 0.01 -0.04 -0.02 -0.16 0.11 0.07 -0.11 -0.08 -0.04 0.26 0.17 0.16 -0.24 -0.11 0.04 0.13 0.16 0.03 0.05 -0.09 0.02 -0.05 -0.07 0.00 0.04 -0.05 -0.01 0.02 -0.01 -0.01 -0.01 0.13 0.02 -0.04 -0.01 0.02 -0.03 -0.02 0.00 -0.09 0.09 0.01 0.03 -0.04 -0.06 0.06 0.00 0.03 -0.01 -0.05 -0.05 0.05 0.00 0.01 0.04 -0.05 -0.08 0.03 0.08 0.01 0.03 -0.04 0.00 0.04 -0.04 0.01 0.02 0.02 -0.00 0.03 0.00 -0.00 0.01 0.05 0.01 -0.07 0.05 0.01 -0.07 0.04 -0.01 -0.01 0.09 -0.08 0.14 0.19 0.06 -0.17 -0.05 -0.07 0.14 0.14 0.07 -0.18 -0.10 0.00 -0.03 -0.00 -0.10 0.10 -0.02 0.04 -0.01 -0.07 0.04 -0.03 -0.05 -0.06 0.04 0.03 -0.06 0.07 -0.02 -0.12 0.04 0.10 -0.04 -0.01 0.10 -0.08 0.03 0.08 0.00 0.05 -0.06 0.01 0.01 0.04 -0.00 0.03 0.01 0.00 -0.07 0.07 0.01 -0.07 0.05 -0.13 0.26 0.30 0.11 -0.29 -0.12 -0.13 0.25 0.22 0.13 -0.30 -0.21 -0.06 0.02 0.16 0.06 -0.06 0.03 -0.01 0.06 0.09 -0.00 0.04 0.10 -0.00 0.03 -0.15 -0.03 -0.04 0.00 0.05 -0.14 -0.02 -0.12 -0.14 -0.20 0.00 0.05 0.09 0.06 0.05 0.07 0.00 0.05 0.09 0.01 0.06 0.11 -0.00 0.05 0.06 0.08 0.07 -0.04 -0.03 0.03 0.07 0.03 0.06 -0.02 -0.03 0.03 0.00 0.03 0.06 -0.09 0.00 0.04 -0.08 -0.13 -0.04 -0.11 -0.01 -0.19 -0.14 0.01 0.02 -0.10 -0.07 0.05 -0.02 0.09 -0.04 -0.13 -0.06 0.03 0.03 0.11 -0.06 -0.09 0.03 -0.03 -0.01 0.13 0.03 0.10 0.08 0.04 0.15 -0.05 0.13 0.10 -0.02 0.04 0.10 0.02 0.09 0.13 0.13 0.07 -0.05 0.00 0.06 -0.08 0.11 0.08 -0.09 0.05 0.07 -0.03 -0.05 0.02 0.02 0.06 0.07 -0.16 -0.21 0.02 -0.12 0.03 -0.27 -0.18 -0.14 0.10 0.01 0.15 -0.07 -0.19 -0.11 0.06 0.09 0.18 -0.10 -0.12 -0.02 0.09 -0.11 -0.08 0.03 -0.01 -0.04 0.02 0.05 0.04 0.06 -0.04 -0.02 -0.05 0.06 0.05 0.02 0.06 0.07 -0.15 0.27 -0.01 -0.05 -0.08 0.02 0.05 0.01 0.06 -0.02 -0.05 0.08 0.09 0.07 0.06 0.01 -0.07 0.01 0.04 -0.02 0.08 0.03 -0.15 -0.01 0.05 -0.05 0.02 -0.00 0.04 -0.02 0.01 -0.03 0.01 -0.04 0.07 -0.01 -0.03 0.03 0.00 0.07 -0.14 0.03 -0.19 0.17 -0.02 -0.06 0.03 0.01 -0.06 0.00 -0.06 -0.05 0.04 -0.01 -0.04 -0.01 -0.07 -0.02 0.02 -0.05 -0.01 0.00 0.11 -0.10 -0.02 0.12 0.07 0.13 0.09 0.16 0.04 0.07 0.02 -0.12 0.07 -0.01 -0.06 0.15 0.02 -0.18 0.03 0.06 -0.18 0.09 0.03 -0.16 0.03 -0.01 0.06 -0.03 0.02 -0.05 0.01 -0.07 0.11 -0.02 0.20 -0.33 0.04 -0.31 0.29 0.04 -0.07 -0.00 -0.08 -0.05 0.06 0.01 -0.03 -0.03 -0.10 -0.01 0.03 -0.03 0.01 0.10 -0.10 0.07 0.03 0.05 0.06 -0.05 0.06 0.08 -0.07 -0.00 -0.08 0.06 0.06 0.02 -0.04 0.12 -0.01 -0.13 -0.03 -0.13 0.02 0.05 0.08 -0.05 -0.09 0.07 -0.01 0.08 0.10 -0.02 -0.01 0.07 -0.08 0.04 0.05 -0.05 -0.11 0.03 0.18 0.00 0.01 0.03 0.07 0.05 -0.10 -0.01 -0.03 0.07 0.05 0.00 -0.06 0.01 -0.04 0.02 -0.03 -0.05 0.05 0.07 -0.09 -0.09 0.01 -0.10 0.01 0.07 -0.13 -0.05 -0.05 -0.05 0.04 0.05 -0.10 -0.06 -0.08 -0.02 0.04 -0.04 -0.03 -0.00 -0.21 0.09 -0.07 0.14 0.08 0.05 0.07 0.18 -0.03 0.03 0.08 -0.07 -0.03 0.03 -0.16 -0.21 0.02 0.18 0.01 0.05 0.23 -0.16 0.01 0.26 0.10 0.08 -0.15 -0.04 -0.07 0.13 0.07 0.00 -0.08 -0.09 -0.05 0.13 0.09 -0.13 -0.14 0.12 -0.17 -0.08 -0.09 -0.03 0.08 0.08 -0.12 -0.10 -0.13 0.03 0.07 0.00 -0.08 0.10 0.00 0.01 -0.00 0.05 0.08 -0.14 -0.01 -0.02 -0.01 -0.00 0.01 0.03 -0.04 -0.02 -0.10 -0.11 -0.05 0.07 -0.03 -0.05 0.16 -0.01 -0.00 -0.09 0.10 0.13 -0.06 -0.06 -0.06 -0.16 0.08 0.06 0.03 -0.01 -0.01 -0.05 0.11 0.17 -0.08 -0.00 -0.04 0.03 -0.01 0.02 -0.10 -0.00 -0.04 0.06 -0.01 0.03 -0.08 -0.00 0.00 -0.00 -0.00 -0.02 -0.03 -0.10 -0.07 0.22 0.00 0.01 0.02 0.01 -0.00 -0.00 -0.01 0.02 0.02 0.02 -0.01 -0.01 -0.01 0.02 0.02 0.00 0.01 0.00 0.13 0.19 -0.05 -0.11 -0.04 -0.24 -0.04 -0.16 -0.14 0.10 0.06 0.07 0.10 0.05 0.09 0.15 0.24 0.02 0.08 0.07 -0.07 0.11 0.24 -0.18 -0.01 0.04 -0.15 -0.00 -0.06 0.12 -0.01 0.06 -0.12 0.05 -0.01 -0.14 -0.13 -0.09 0.38 0.02 -0.01 -0.01 -0.02 0.03 0.03 0.03 -0.02 -0.02 -0.02 0.03 0.03 -0.01 0.00 -0.01 0.04 -0.03 -0.01 0.02 -0.04 -0.02 0.04 0.03 -0.09 0.00 0.02 -0.06 -0.03 0.04 -0.01 -0.00 0.01 -0.03 -0.09 -0.07 0.07 -0.00 0.01 -0.01 0.03 -0.05 -0.04 -0.02 0.07 0.02 0.20 -0.09 -0.15 -0.01 -0.03 0.04 0.04 0.08 0.14 -0.01 -0.01 0.00 -0.02 -0.05 0.10 -0.01 0.00 -0.03 -0.02 -0.05 0.09 -0.01 -0.01 0.00 -0.09 -0.01 0.05 -0.04 -0.05 0.02 -0.02 0.05 -0.02 -0.04 0.06 0.01 -0.00 0.05 -0.01 -0.03 0.05 0.02 0.01 0.04 0.00 -0.00 0.03 0.01 -0.10 -0.12 -0.10 0.00 0.06 0.08 -0.04 0.13 0.01 0.39 0.01 -0.26 0.23 -0.34 -0.15 0.05 0.06 0.10 0.19 0.18 0.20 -0.11 0.10 0.26 -0.03 -0.07 0.14 0.00 0.02 -0.07 -0.02 -0.07 0.12 -0.12 0.01 0.07 -0.03 -0.09 0.02 -0.06 0.06 0.01 0.01 0.05 -0.02 -0.05 0.04 0.03 0.03 0.03 -0.00 0.03 -0.04 -0.01 0.02 0.01 0.00 0.05 0.02 -0.04 0.03 -0.02 0.02 0.03 -0.01 -0.02 -0.03 0.03 -0.07 -0.07 -0.05 0.13 -0.01 0.09 -0.19 0.01 -0.02 -0.01 -0.11 0.06 0.07 -0.04 -0.01 -0.04 -0.03 0.02 0.04 0.01 -0.04 0.02 -0.13 0.01 0.26 0.02 -0.03 0.01 0.01 -0.04 0.03 0.02 -0.02 -0.00 0.01 -0.04 0.03 0.02 -0.02 0.00 0.00 0.11 -0.25 -0.05 -0.01 0.05 0.02 0.00 -0.01 0.02 0.01 -0.00 0.03 -0.00 -0.01 0.02 0.01 0.00 0.03 0.00 -0.01 0.02 0.01 -0.00 -0.22 0.14 0.01 -0.08 -0.01 -0.07 -0.05 -0.06 -0.03 -0.01 0.02 0.10 -0.05 0.01 -0.02 -0.23 0.01 0.27 -0.03 0.01 0.30 -0.17 -0.00 0.32 0.00 -0.05 0.04 0.03 -0.02 -0.02 0.01 -0.04 0.03 0.04 0.19 -0.42 -0.07 -0.06 0.16 0.02 0.01 -0.00 0.03 -0.01 -0.02 0.01 0.02 0.01 0.03 -0.00 -0.01 -0.02 -0.08 0.01 0.02 -0.05 -0.06 -0.16 0.01 0.05 0.02 -0.04 0.01 -0.02 0.02 0.05 0.08 -0.07 0.10 0.09 -0.04 0.04 0.12 0.04 -0.14 -0.02 -0.04 -0.01 -0.02 0.02 0.03 0.08 -0.05 0.05 0.09 -0.05 0.01 -0.03 -0.03 -0.11 0.02 0.22 0.08 -0.02 -0.05 -0.06 -0.03 0.01 -0.16 -0.01 -0.04 -0.02 -0.04 0.02 -0.13 -0.03 -0.01 -0.04 0.10 -0.02 -0.01 0.12 0.02 -0.10 -0.05 0.06 0.08 -0.05 0.06 0.07 -0.08 0.09 0.11 -0.04 0.06 0.06 -0.08 0.09 0.09 -0.05 0.05 0.05 -0.05 -0.04 0.02 0.10 -0.05 0.08 0.13 -0.01 0.02 0.20 0.00 0.01 0.10 -0.17 0.00 0.13 0.24 0.08 0.06 0.28 0.09 -0.11 0.29 0.09 -0.04 0.02 -0.20 -0.00 -0.06 0.04 -0.05 0.05 -0.15 0.10 -0.02 -0.01 0.13 0.06 -0.17 -0.03 0.05 0.07 -0.10 0.11 0.12 -0.02 0.04 0.03 -0.10 0.10 0.10 0.07 -0.01 -0.05 -0.03 0.11 0.07 -0.15 -0.04 0.07 -0.06 -0.03 0.01 -0.01 0.04 0.13 -0.07 -0.02 0.05 -0.07 0.01 0.02 -0.05 0.03 -0.03 -0.08 -0.03 0.04 -0.01 -0.05 0.01 -0.07 -0.02 0.05 0.10 -0.11 -0.03 -0.05 0.01 -0.01 0.03 0.14 0.05 0.01 0.02 -0.00 -0.05 0.07 -0.08 0.02 0.06 0.03 -0.03 0.12 -0.09 0.01 0.09 0.01 -0.06 0.00 0.02 -0.06 0.03 -0.03 0.06 -0.05 0.01 0.11 -0.08 -0.04 0.10 -0.12 -0.05 0.12 -0.10 -0.08 0.11 -0.14 -0.09 0.10 -0.08 -0.07 -0.04 -0.15 0.00 -0.07 -0.03 0.05 -0.07 -0.02 0.05 0.26 -0.02 -0.12 0.14 -0.31 0.00 0.14 0.14 0.02 0.09 0.25 0.07 -0.11 0.20 0.11 -0.07 0.07 -0.11 0.04 0.05 0.07 -0.04 0.17 -0.13 -0.06 -0.01 0.04 -0.06 0.06 -0.06 0.11 -0.06 -0.02 0.09 -0.13 -0.05 0.13 -0.09 -0.08 0.11 -0.16 -0.11 -0.03 0.06 0.11 -0.04 -0.02 0.06 0.06 -0.02 -0.10 -0.11 -0.02 -0.05 -0.07 0.08 -0.00 0.07 -0.16 0.02 0.02 -0.09 0.03 0.20 0.03 -0.07 -0.02 -0.01 -0.06 0.01 0.01 -0.06 0.05 -0.14 -0.10 0.05 -0.04 -0.06 -0.01 0.08 0.02 0.01 0.03 0.05 -0.02 0.09 0.01 -0.06 0.05 0.15 -0.02 0.11 0.00 -0.06 0.05 0.20 -0.06 0.10 0.07 0.19 -0.09 -0.04 0.09 0.03 -0.02 -0.05 0.04 -0.05 -0.06 -0.01 -0.06 -0.02 -0.00 -0.09 -0.04 -0.05 -0.07 0.02 -0.05 -0.09 -0.01 -0.06 -0.06 -0.04 0.03 -0.09 0.06 -0.12 -0.22 0.11 -0.25 -0.10 0.15 0.01 -0.11 0.09 -0.17 0.00 -0.02 0.04 0.07 0.09 0.03 0.09 -0.05 0.04 0.09 -0.10 0.02 0.21 0.01 0.13 -0.03 -0.07 0.00 0.28 0.26 -0.13 -0.08 0.07 0.11 -0.02 -0.09 0.00 -0.06 -0.01 0.00 -0.09 -0.05 -0.06 -0.06 0.05 -0.06 -0.10 -0.03 0.15 -0.06 -0.03 -0.04 -0.02 0.14 -0.07 0.00 -0.03 -0.03 0.04 -0.02 -0.01 -0.01 -0.03 -0.04 -0.04 -0.06 -0.02 0.00 0.02 0.02 -0.01 0.03 -0.03 0.06 0.09 -0.08 0.02 -0.03 -0.07 -0.01 0.11 -0.09 0.01 0.03 0.03 0.08 0.07 -0.13 0.12 -0.00 0.02 0.11 0.06 0.11 -0.12 -0.03 -0.03 0.14 0.07 0.12 -0.21 0.00 0.02 -0.01 0.02 -0.02 -0.04 -0.03 0.02 0.02 -0.03 -0.01 -0.00 -0.04 -0.01 0.01 -0.05 0.02 0.02 -0.05 0.00 0.02 -0.07 0.04 0.04 -0.06 0.01 0.03 0.05 -0.06 0.00 -0.06 -0.06 -0.08 -0.07 -0.15 0.02 0.18 -0.04 -0.07 0.14 -0.19 0.06 -0.02 -0.18 0.07 0.15 -0.09 0.14 0.07 -0.19 0.22 0.09 0.16 -0.21 -0.05 -0.06 0.22 0.11 0.19 -0.39 0.06 -0.03 -0.07 -0.05 0.05 0.05 -0.04 -0.02 -0.01 -0.06 0.03 0.03 -0.04 -0.00 0.01 -0.07 0.06 0.06 0.01 -0.01 -0.13 0.05 -0.01 0.08 -0.05 0.04 -0.02 0.02 0.02 -0.03 0.00 0.02 -0.06 0.03 -0.01 0.05 0.06 -0.01 0.01 0.03 -0.01 -0.01 -0.01 0.02 -0.03 -0.04 0.04 -0.02 0.03 0.03 0.00 -0.04 0.04 -0.02 -0.03 -0.05 0.03 -0.04 0.07 -0.05 -0.05 -0.13 0.22 -0.03 -0.03 0.00 -0.08 -0.20 0.43 -0.03 -0.03 0.04 -0.04 -0.09 0.19 0.02 -0.01 0.03 0.05 -0.01 -0.02 -0.02 0.07 -0.09 -0.02 0.05 -0.10 0.01 0.06 -0.10 -0.01 0.02 -0.08 0.04 0.04 -0.08 0.03 0.02 -0.07 -0.03 0.04 -0.02 0.05 0.02 0.02 0.07 0.06 -0.02 -0.07 0.03 0.01 -0.06 0.09 -0.05 0.01 0.10 -0.03 -0.06 0.05 -0.06 -0.04 0.10 -0.10 -0.03 0.02 -0.11 -0.08 -0.24 0.54 -0.02 0.05 -0.10 0.01 -0.00 0.04 0.06 -0.02 -0.05 -0.04 0.05 -0.11 0.03 0.08 -0.11 -0.02 -0.00 -0.07 0.07 0.04 -0.08 0.40 -0.24 -0.06 -0.16 -0.16 0.03 0.09 0.03 0.03 0.02 0.07 0.03 -0.09 0.06 -0.05 0.02 0.08 0.03 0.06 0.03 0.01 -0.05 -0.01 -0.00 0.03 0.06 0.05 0.05 0.02 0.03 0.02 0.09 0.05 0.01 0.06 0.03 0.01 0.05 0.05 0.04 -0.04 0.04 0.06 0.06 0.02 -0.01 0.10 0.01 0.05 0.15 0.02 0.01 0.18 -0.00 -0.01 0.17 0.01 -0.05 0.06 0.02 0.02 -0.02 -0.01 -0.11 0.01 -0.09 -0.17 -0.04 -0.06 -0.15 0.01 -0.08 -0.18 -0.05 -0.03 -0.15 0.00 -0.05 -0.19 -0.06 -0.02 0.05 0.04 0.03 0.03 0.09 0.06 0.01 0.11 0.05 -0.03 0.04 0.02 0.01 0.10 0.04 -0.01 -0.05 0.03 0.04 -0.04 0.04 0.07 -0.07 0.06 -0.06 0.09 -0.00 0.13 0.17 0.03 -0.00 0.21 -0.04 -0.10 0.09 0.03 0.04 -0.08 -0.02 -0.23 -0.05 -0.08 -0.16 0.00 -0.07 -0.18 -0.05 -0.03 -0.11 0.02 -0.02 -0.11 -0.08 -0.06 0.01 0.03 0.05 0.21 -0.00 -0.10 0.03 -0.03 0.03 -0.07 0.10 0.15 0.04 0.07 0.07 0.11 0.02 0.04 -0.03 -0.01 -0.02 0.02 -0.03 -0.01 0.12 0.04 0.01 0.03 0.07 0.05 0.05 0.03 0.07 -0.05 -0.08 -0.01 0.08 -0.15 0.09 -0.07 -0.07 -0.07 -0.11 -0.02 -0.04 -0.05 -0.00 -0.08 -0.11 0.04 -0.06 -0.09 0.05 -0.03 -0.03 0.06 0.04 0.06 -0.03 -0.02 -0.06 0.10 0.06 -0.01 0.06 0.01 -0.02 0.04 0.01 0.05 -0.04 -0.08 0.05 -0.05 -0.08 0.07 -0.06 -0.09 0.11 0.15 -0.00 0.02 0.05 0.17 0.09 0.18 -0.00 -0.00 0.00 0.10 0.05 0.10 0.11 -0.09 -0.05 0.27 0.08 -0.42 0.12 0.20 -0.13 -0.06 -0.16 -0.04 -0.04 0.01 0.01 -0.07 -0.12 0.05 -0.06 -0.09 0.10 0.06 0.09 -0.09 -0.07 -0.03 0.09 0.03 -0.04 0.07 0.03 0.06 -0.06 -0.09 0.06 -0.08 -0.11 -0.02 -0.01 0.00 0.00 -0.02 0.04 -0.05 0.00 0.07 0.07 -0.00 0.03 -0.01 0.02 0.07 0.02 0.03 -0.12 0.01 0.01 -0.07 0.02 -0.02 0.05 0.03 -0.01 0.02 0.00 -0.02 0.04 0.01 -0.01 -0.02 0.01 -0.00 0.03 0.01 -0.01 -0.03 0.01 -0.01 -0.01 0.00 -0.01 -0.03 -0.00 0.00 -0.02 0.00 -0.00 -0.02 -0.01 0.00 0.01 -0.01 0.00 0.01 0.04 0.00 -0.06 0.00 -0.02 0.04 -0.03 0.04 0.01 -0.01 0.04 -0.01 -0.03 0.02 -0.02 -0.00 0.01 -0.05 -0.01 0.00 -0.05 -0.00 -0.00 -0.06 0.02 -0.06 0.05 0.00 -0.00 -0.03 -0.05 -0.02 0.02 -0.02 -0.02 0.05 -0.01 0.04 0.00 -0.01 -0.32 -0.48 0.08 0.50 -0.05 -0.05 -0.27 0.45 -0.01 -0.00 -0.02 0.02 -0.00 -0.01 -0.01 -0.01 0.03 0.06 0.00 -0.09 -0.01 -0.03 0.11 -0.01 0.05 -0.00 -0.05 0.02 -0.00 0.01 0.01 -0.06 -0.02 -0.01 -0.06 0.00 -0.04 -0.02 0.00 0.03 -0.04 0.06 0.04 -0.04 -0.04 0.04 -0.01 -0.00 -0.01 -0.06 -0.02 -0.05 0.10 -0.02 -0.03 0.05 0.00 0.02 -0.03 -0.02 0.04 -0.01 0.03 0.05 -0.03 -0.01 -0.00 -0.00 0.00 0.05 -0.01 -0.03 0.00 0.02 0.01 -0.02 -0.01 -0.03 -0.00 0.02 -0.02 -0.01 0.01 -0.03 -0.00 0.01 -0.01 -0.00 -0.01 -0.01 -0.00 -0.02 -0.01 -0.03 0.05 -0.00 0.01 -0.03 0.01 -0.02 0.01 0.01 -0.03 0.02 0.03 -0.01 0.02 0.01 -0.02 0.04 0.03 -0.01 0.05 0.03 -0.01 0.05 0.03 0.06 -0.03 0.01 0.00 -0.04 0.04 -0.03 -0.02 -0.00 0.05 -0.02 0.02 0.05 0.03 -0.09 -0.32 -0.46 0.13 0.47 -0.02 -0.03 -0.30 0.48 -0.01 -0.01 0.02 -0.04 -0.00 0.01 -0.01 0.00 -0.03 -0.01 -0.04 0.07 0.01 0.04 -0.08 0.01 -0.03 0.01 0.05 -0.00 0.01 0.00 -0.03 0.05 0.04 -0.01 0.05 0.02 0.04 0.04 0.08 -0.10 0.14 0.06 0.02 -0.09 -0.06 -0.00 -0.03 0.06 -0.11 0.20 -0.08 -0.07 0.21 -0.08 -0.03 0.12 -0.07 0.05 -0.08 -0.03 0.00 -0.04 0.02 0.04 -0.05 -0.04 -0.01 0.02 -0.01 0.03 -0.01 0.04 0.02 -0.05 0.01 0.00 -0.01 0.07 0.03 -0.07 0.08 -0.01 -0.08 0.06 -0.02 -0.08 0.06 -0.08 -0.01 0.07 -0.10 0.02 -0.10 -0.03 0.12 -0.06 0.04 -0.06 0.03 -0.05 -0.04 0.08 0.06 -0.07 -0.09 -0.05 -0.07 -0.03 0.17 -0.14 -0.15 0.10 -0.13 -0.10 0.16 -0.14 0.01 0.08 -0.05 -0.04 -0.01 0.01 0.05 -0.02 -0.02 -0.01 0.03 -0.01 0.01 0.03 0.03 -0.06 -0.09 -0.13 0.06 0.13 0.01 -0.01 -0.09 0.15 0.12 0.01 -0.08 0.02 -0.03 -0.10 0.06 -0.11 0.04 -0.12 -0.04 0.18 -0.04 0.09 -0.19 0.17 0.09 -0.03 -0.13 -0.11 -0.04 0.01 0.26 -0.16 -0.25 0.09 -0.15 -0.01 -0.06 -0.02 0.02 0.01 0.02 -0.03 0.10 0.14 0.23 0.18 -0.03 -0.02 0.00 0.03 -0.07 -0.17 0.01 -0.16 -0.08 -0.00 0.06 0.03 -0.02 0.03 0.13 0.08 -0.00 0.02 0.02 -0.02 -0.01 -0.01 0.09 0.08 -0.11 -0.01 0.01 0.04 -0.03 -0.11 -0.01 -0.05 0.00 0.01 0.02 -0.00 0.00 -0.04 0.01 -0.03 0.01 -0.01 -0.03 -0.02 -0.01 -0.03 0.05 -0.13 0.00 -0.07 0.06 -0.01 -0.03 0.02 0.03 -0.01 0.03 0.02 -0.02 0.02 0.02 0.02 -0.00 -0.03 0.01 -0.01 -0.02 0.03 -0.02 -0.04 -0.02 -0.08 0.01 0.12 0.02 -0.20 -0.10 -0.14 0.06 0.12 0.10 -0.14 0.05 0.03 -0.24 -0.13 0.02 0.22 -0.12 -0.44 -0.01 0.13 -0.06 -0.26 0.05 0.01 -0.00 -0.05 0.01 -0.05 0.03 -0.02 -0.05 0.14 -0.21 -0.00 -0.11 0.18 -0.01 -0.00 0.05 0.04 -0.03 0.03 0.04 0.02 -0.01 -0.04 -0.00 -0.02 -0.03 -0.03 -0.12 -0.05 0.15 0.02 -0.00 -0.02 0.02 0.07 -0.20 0.09 0.06 -0.07 -0.09 0.05 0.05 0.04 -0.12 0.06 0.02 -0.07 0.05 -0.03 0.04 -0.04 0.08 0.06 0.05 -0.01 0.02 0.02 0.01 -0.01 0.05 -0.01 0.01 -0.07 0.09 -0.01 0.04 -0.08 0.06 -0.13 0.06 -0.02 -0.04 0.05 0.00 -0.12 0.07 0.02 -0.05 0.02 0.03 -0.07 0.01 0.03 0.07 0.02 -0.08 0.05 -0.02 0.04 0.05 -0.19 -0.08 0.10 -0.10 -0.10 0.06 -0.16 -0.06 -0.03 0.13 0.02 -0.07 0.07 0.05 -0.06 0.22 0.09 0.05 -0.04 0.02 0.03 0.03 -0.07 -0.03 -0.03 0.03 0.18 0.07 -0.14 0.11 -0.20 0.13 -0.06 -0.03 0.17 0.05 -0.25 0.08 0.10 -0.07 -0.03 -0.03 0.06 0.01 -0.14 0.06 0.02 -0.04 0.01 0.05 0.09 0.04 -0.13 0.03 -0.05 0.11 0.22 -0.13 -0.11 0.10 -0.22 -0.12 -0.05 0.16 0.04 -0.16 0.08 0.04 -0.06 0.02 -0.01 -0.01 -0.05 -0.02 0.04 -0.02 -0.04 0.25 -0.06 -0.06 -0.02 0.08 0.09 -0.01 -0.03 0.02 -0.02 -0.02 0.01 0.02 -0.00 -0.00 0.03 -0.07 -0.02 -0.04 -0.00 -0.00 -0.00 0.01 0.02 -0.05 0.02 -0.02 -0.03 -0.14 0.11 -0.03 0.08 -0.04 0.01 -0.09 0.06 -0.10 -0.03 0.10 0.06 0.07 -0.01 -0.04 0.16 -0.05 0.01 0.17 -0.03 0.01 -0.03 0.01 -0.00 0.00 -0.00 0.08 -0.09 -0.07 0.09 -0.11 -0.08 0.07 -0.11 -0.09 -0.03 0.05 0.05 -0.04 0.05 0.04 -0.11 0.13 0.12 -0.05 0.01 -0.01 0.04 -0.01 0.13 -0.00 0.12 -0.00 -0.21 -0.07 0.14 -0.12 0.24 -0.16 0.09 0.05 -0.11 -0.05 0.20 -0.07 -0.09 0.10 -0.02 -0.20 -0.07 0.11 0.17 0.10 -0.01 -0.08 0.25 -0.11 0.03 -0.05 0.03 -0.01 0.03 -0.01 0.11 -0.16 -0.12 0.11 -0.19 -0.14 -0.03 0.08 0.06 -0.04 0.06 0.05 0.01 -0.03 -0.02 0.02 0.01 0.03 0.11 -0.06 -0.00 -0.11 0.05 -0.03 -0.00 -0.03 0.00 0.01 -0.03 -0.06 -0.01 -0.02 -0.04 0.06 -0.00 0.02 0.00 0.03 0.06 -0.02 -0.08 -0.03 0.01 0.05 0.06 -0.14 0.02 -0.05 -0.02 -0.02 0.17 0.03 0.15 0.01 -0.04 -0.01 0.08 0.03 -0.03 0.09 -0.03 0.01 -0.06 0.04 -0.00 -0.11 0.00 -0.02 -0.10 0.06 -0.03 -0.04 0.01 0.01 0.02 -0.02 -0.00 0.07 0.01 0.04 0.06 -0.05 -0.00 0.07 0.03 0.02 -0.05 -0.03 -0.01 -0.04 0.02 -0.02 -0.09 -0.03 -0.10 -0.03 0.14 0.03 0.18 -0.06 0.21 0.07 -0.31 -0.05 -0.09 -0.15 0.19 -0.00 0.27 0.19 0.02 0.08 0.28 0.02 -0.21 0.30 -0.00 0.06 -0.02 0.11 -0.07 0.01 -0.10 0.08 0.00 -0.19 0.11 -0.06 -0.06 -0.01 0.03 0.07 0.05 0.08 0.11 -0.08 -0.02 0.10 0.06 0.04 -0.08 -0.09 -0.02 -0.06 -0.00 -0.00 0.00 0.00 0.01 -0.02 0.01 -0.05 -0.00 0.00 -0.01 -0.02 -0.01 0.01 0.00 -0.04 -0.07 -0.03 -0.10 -0.03 -0.01 0.02 0.03 0.01 0.01 -0.02 -0.03 0.07 -0.05 -0.02 0.03 0.08 0.09 -0.07 0.04 0.02 0.02 0.03 -0.11 0.10 0.01 0.08 0.01 0.01 -0.06 0.01 0.04 -0.09 0.00 -0.01 0.02 -0.02 -0.02 0.09 -0.01 -0.02 0.08 0.01 -0.06 -0.02 -0.05 0.04 0.01 -0.01 0.01 -0.05 -0.02 -0.02 -0.04 0.02 0.02 -0.04 -0.02 -0.02 0.03 0.03 0.00 0.02 0.00 -0.00 0.05 0.09 -0.05 -0.01 0.24 0.02 0.43 -0.05 0.47 0.05 -0.28 -0.07 0.04 -0.08 0.27 0.06 0.09 0.04 0.12 0.21 0.02 0.13 -0.01 0.05 0.12 -0.00 0.06 -0.14 0.02 -0.00 0.02 -0.03 -0.05 0.15 0.07 -0.10 -0.02 -0.08 0.10 0.04 -0.06 -0.04 -0.07 0.04 0.05 -0.06 -0.05 -0.05 0.05 0.07 0.01 0.04 0.02 0.02 0.00 -0.02 -0.02 0.01 -0.01 0.05 -0.05 -0.07 -0.02 0.03 0.03 0.01 -0.01 -0.01 -0.04 -0.05 -0.04 -0.02 -0.03 0.04 0.01 0.02 -0.03 -0.02 -0.02 -0.04 0.10 0.01 0.02 0.09 0.09 0.09 -0.03 0.04 -0.02 -0.03 0.01 -0.08 -0.04 -0.06 0.02 -0.02 0.01 -0.03 -0.04 0.03 0.02 -0.02 0.00 -0.01 0.00 -0.04 0.02 0.00 -0.03 0.04 -0.04 -0.03 -0.01 0.02 0.02 0.02 0.01 0.02 0.02 0.00 0.02 0.01 -0.00 0.01 0.02 0.01 -0.00 -0.01 0.01 -0.01 -0.01 0.00 -0.01 -0.04 0.14 0.01 0.22 0.02 0.45 -0.03 0.50 0.03 0.33 0.09 0.02 0.13 -0.29 0.04 -0.17 -0.09 -0.11 -0.18 -0.08 -0.10 0.10 -0.14 -0.07 -0.03 -0.05 0.06 0.02 -0.02 0.02 -0.02 0.02 -0.05 0.09 -0.07 -0.05 -0.03 0.05 0.06 0.03 0.01 0.02 -0.01 -0.03 0.01 0.03 0.03 -0.02 -0.01 0.01 -0.01 0.18 0.12 0.07 0.24 0.18 -0.01 0.05 -0.03 -0.08 0.19 -0.11 0.00 -0.21 -0.14 0.03 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.09 -0.03 -0.06 0.03 0.03 -0.00 0.01 0.03 0.04 -0.06 0.04 -0.04 -0.01 0.05 -0.07 0.02 -0.07 -0.02 0.06 0.04 -0.06 0.04 -0.01 -0.10 -0.02 -0.07 -0.10 -0.04 -0.06 -0.16 -0.06 -0.04 0.00 -0.01 0.01 0.00 0.00 0.00 -0.22 -0.12 -0.05 -0.19 -0.04 -0.07 -0.13 -0.04 0.04 -0.14 -0.04 -0.03 -0.03 -0.10 0.05 0.08 -0.02 0.00 -0.07 0.10 0.02 0.03 -0.02 0.21 0.00 0.18 -0.00 0.10 -0.05 0.17 0.00 -0.07 -0.09 -0.00 -0.02 -0.16 -0.19 0.10 -0.13 -0.01 -0.01 -0.08 -0.02 0.05 -0.02 -0.15 -0.02 -0.11 -0.05 -0.09 -0.09 0.01 -0.01 0.02 0.00 0.00 -0.00 -0.16 -0.01 -0.04 -0.09 0.13 0.03 -0.25 -0.13 0.08 -0.10 -0.11 0.02 -0.02 -0.03 -0.02 -0.03 0.00 -0.04 0.12 -0.00 0.01 -0.08 0.04 0.04 0.02 0.01 0.25 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.03 0.04 0.07 -0.08 -0.01 0.03 -0.00 -0.01 0.02 0.00 -0.04 -0.02 0.05 -0.00 0.06 -0.09 0.06 -0.08 0.00 -0.01 0.00 0.09 0.01 -0.02 0.01 -0.03 -0.07 0.06 -0.06 -0.02 0.01 -0.07 0.02 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.03 0.08 -0.14 -0.06 -0.00 -0.15 0.02 0.11 -0.13 -0.05 -0.05 0.09 0.10 0.00 0.05 0.01 -0.03 0.13 -0.12 0.01 0.02 -0.01 0.00 -0.06 -0.03 -0.08 0.05 0.18 0.05 -0.09 0.03 -0.26 -0.03 0.09 0.05 -0.13 -0.22 0.15 -0.15 -0.09 0.11 -0.14 0.13 0.03 -0.06 -0.01 -0.02 -0.11 0.10 -0.11 -0.02 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.22 -0.05 -0.24 0.08 0.27 -0.16 -0.15 -0.12 0.17 0.25 0.03 0.10 -0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.00 0.01 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 0.02 0.11 -0.15 -0.11 -0.10 0.14 0.14 -0.09 0.15 0.11 0.09 -0.14 -0.13 -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 -0.00 -0.00 0.02 0.00 -0.01 -0.00 0.01 0.02 -0.01 0.01 0.01 -0.01 0.01 -0.01 -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 0.23 -0.30 -0.23 -0.21 0.28 0.28 -0.19 0.34 0.25 0.18 -0.31 -0.27 -0.09 -0.09 -0.05 0.02 0.01 0.01 0.15 -0.05 -0.04 0.07 -0.05 0.05 -0.02 -0.02 -0.14 -0.01 -0.01 0.02 -0.03 -0.00 0.02 -0.02 0.01 -0.00 0.07 -0.02 0.03 -0.11 -0.02 0.07 0.02 -0.01 0.04 0.02 -0.09 0.03 0.08 0.06 -0.03 -0.11 0.07 -0.10 -0.03 0.02 -0.02 0.10 0.13 -0.11 -0.01 0.12 0.02 0.09 0.07 0.17 0.01 0.06 0.13 -0.03 -0.01 0.02 -0.03 0.01 -0.00 0.00 -0.04 0.04 0.00 -0.00 0.06 -0.03 -0.02 0.07 0.00 0.02 -0.03 -0.04 -0.01 -0.02 0.01 -0.01 -0.06 -0.14 0.06 0.04 0.02 -0.02 0.10 -0.01 0.04 0.04 0.20 -0.01 0.05 0.01 -0.27 -0.08 0.13 0.04 -0.21 -0.31 0.22 -0.21 -0.10 0.11 -0.17 0.08 0.18 -0.25 0.08 0.17 -0.06 0.08 0.06 0.20 -0.03 -0.01 0.04 -0.03 0.02 -0.02 0.05 0.03 0.10 -0.07 -0.05 0.10 0.02 0.06 -0.04 -0.10 -0.02 -0.04 0.04 0.04 0.00 -0.02 -0.02 0.00 -0.01 0.02 0.00 -0.00 0.02 -0.01 0.01 0.01 -0.03 0.01 0.01 -0.01 0.03 0.00 -0.01 0.02 -0.01 0.01 -0.04 -0.00 0.02 0.01 0.02 -0.01 -0.03 -0.00 0.00 0.00 0.02 -0.01 -0.07 -0.07 0.12 0.01 -0.01 0.00 -0.04 -0.10 0.23 -0.03 0.06 -0.22 0.01 0.04 -0.16 -0.09 -0.09 0.11 -0.02 -0.05 0.06 0.02 0.01 -0.01 0.03 -0.01 0.00 0.02 0.03 0.03 0.04 -0.00 0.01 0.03 -0.01 -0.01 0.03 0.01 -0.01 0.01 0.01 -0.01 -0.02 0.03 0.02 0.01 0.00 -0.01 -0.03 0.00 -0.02 -0.02 -0.03 0.01 -0.00 0.02 -0.02 0.01 0.02 -0.01 -0.03 -0.01 0.01 0.02 -0.03 0.02 0.02 -0.02 0.01 0.03 0.22 -0.56 0.04 0.20 -0.55 -0.11 -0.08 0.12 0.03 0.01 -0.02 0.02 -0.02 0.01 0.07 -0.03 -0.02 0.05 -0.07 -0.03 0.07 -0.01 -0.05 0.03 -0.02 -0.03 0.06 0.03 0.03 -0.04 -0.04 -0.00 0.14 -0.04 0.01 0.05 0.03 0.04 -0.03 0.09 -0.05 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.03 0.03 0.05 -0.04 -0.06 0.06 0.00 -0.01 0.02 -0.01 -0.03 -0.00 -0.02 0.06 -0.09 -0.03 0.03 -0.03 -0.03 0.08 -0.11 -0.06 0.00 -0.02 -0.10 -0.10 0.03 -0.11 -0.10 -0.03 -0.09 -0.08 -0.04 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.03 0.12 0.14 0.09 -0.04 0.01 0.08 -0.04 -0.00 0.07 0.00 -0.03 0.04 -0.00 -0.05 -0.09 0.15 0.09 -0.07 -0.03 0.04 -0.01 0.00 -0.06 -0.02 -0.09 0.05 0.03 -0.01 -0.03 -0.02 -0.09 -0.06 0.18 0.04 -0.08 -0.14 0.14 -0.10 -0.08 0.10 -0.09 -0.01 -0.02 0.07 -0.20 -0.17 0.14 -0.07 -0.16 -0.00 -0.01 -0.00 0.01 -0.01 0.01 -0.00 0.26 -0.21 -0.13 0.18 -0.28 -0.14 0.22 -0.13 -0.21 0.14 -0.19 -0.21 0.03 0.03 0.02 -0.06 -0.03 0.01 0.10 -0.03 -0.01 0.07 0.03 0.03 0.03 -0.05 0.01 0.00 0.00 -0.00 0.01 -0.00 -0.01 0.01 -0.01 0.00 -0.02 0.01 0.04 -0.02 -0.04 0.04 -0.02 -0.01 0.02 -0.00 -0.01 -0.00 -0.10 0.02 -0.04 -0.01 0.01 -0.01 -0.05 0.06 -0.07 -0.13 -0.01 -0.04 -0.06 0.01 0.03 -0.13 -0.03 -0.02 -0.02 -0.03 0.02 0.01 0.00 -0.01 0.01 -0.01 0.00 0.14 -0.13 -0.14 0.06 0.06 0.01 0.04 0.04 0.00 0.04 0.09 0.06 0.02 0.08 0.05 0.12 -0.13 -0.12 -0.04 -0.02 0.03 -0.03 0.00 -0.04 -0.03 -0.06 0.04 -0.01 -0.01 -0.01 -0.02 -0.01 -0.05 0.11 0.01 -0.04 -0.07 0.08 -0.05 -0.04 0.05 -0.05 -0.11 -0.01 -0.03 -0.13 -0.02 0.06 -0.17 0.01 -0.01 0.02 0.00 -0.01 0.01 -0.01 0.01 -0.08 0.29 0.21 -0.10 0.28 0.18 -0.11 0.35 0.26 -0.13 0.34 0.27 -0.01 0.06 0.03 0.06 0.04 0.00 0.13 0.04 0.10 -0.13 0.15 0.03 -0.00 0.03 -0.07 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.01 -0.00 0.00 0.03 0.07 0.09 -0.02 -0.03 0.04 -0.00 -0.00 0.02 -0.02 0.04 -0.07 0.01 -0.18 -0.09 -0.01 0.02 -0.01 0.17 -0.16 -0.13 -0.13 -0.12 -0.10 0.20 -0.08 0.02 -0.08 0.06 0.03 0.04 0.07 0.09 0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.02 -0.04 -0.00 -0.07 -0.05 0.02 -0.06 -0.05 0.01 -0.07 -0.04 -0.01 -0.07 -0.03 -0.00 -0.03 -0.03 -0.02 -0.05 -0.09 0.03 -0.02 0.03 -0.17 -0.05 -0.20 0.09 0.05 0.09 -0.22 0.01 -0.10 -0.02 0.13 0.03 -0.02 -0.08 0.06 -0.05 -0.04 0.08 -0.07 -0.29 -0.15 -0.15 0.40 -0.04 0.07 -0.20 0.21 0.02 0.02 -0.00 -0.03 -0.01 0.01 0.01 -0.08 -0.04 0.03 -0.08 -0.07 0.03 -0.09 -0.03 0.01 -0.11 -0.03 -0.00 -0.01 -0.01 0.02 -0.01 -0.01 -0.00 -0.00 0.01 -0.03 0.04 -0.01 -0.02 0.08 -0.15 -0.05 -0.01 0.00 0.01 0.04 0.00 -0.03 0.03 -0.02 0.01 -0.08 -0.02 0.03 0.01 0.03 -0.03 -0.07 -0.02 0.04 0.00 0.01 -0.02 -0.11 -0.05 0.12 -0.00 0.00 -0.00 -0.01 0.13 -0.21 -0.05 -0.07 0.01 -0.00 0.12 0.01 0.03 0.07 -0.09 0.05 -0.10 0.30 0.03 0.01 -0.02 0.03 -0.02 0.01 -0.04 0.06 0.02 -0.02 0.06 -0.02 -0.03 0.05 -0.01 0.04 -0.03 -0.01 0.03 -0.03 -0.01 -0.02 0.05 0.06 0.01 0.02 -0.03 -0.08 -0.02 0.04 -0.06 -0.02 0.04 -0.04 -0.01 0.03 -0.01 0.07 -0.03 -0.06 -0.00 0.01 0.03 -0.02 0.02 0.01 -0.02 0.02 -0.01 0.00 -0.14 -0.00 0.20 -0.18 -0.01 0.37 -0.51 0.05 0.02 -0.06 0.03 -0.02 0.02 0.04 -0.06 -0.13 0.06 -0.03 -0.11 0.11 -0.19 -0.11 0.15 -0.16 -0.11 0.00 -0.01 0.01 -0.03 -0.01 -0.01 -0.04 0.03 0.02 -0.04 -0.03 -0.04 -0.11 0.10 0.01 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 0.04 -0.03 -0.00 0.01 0.04 -0.03 0.02 -0.02 0.01 0.00 0.02 -0.02 0.10 -0.04 0.12 -0.01 0.01 -0.00 0.07 0.00 -0.12 0.06 0.08 0.07 0.00 -0.13 -0.07 0.02 0.01 -0.04 -0.14 -0.09 0.17 -0.01 0.00 0.00 -0.01 0.00 -0.00 0.02 -0.06 0.05 -0.05 -0.18 0.07 0.24 -0.01 0.09 -0.18 0.03 -0.08 0.10 0.20 -0.06 0.04 0.00 -0.11 0.01 0.01 -0.03 0.01 -0.02 0.03 0.01 -0.01 0.01 0.00 0.01 0.02 0.01 0.02 0.01 -0.10 0.01 0.02 0.03 -0.04 0.02 0.01 -0.02 0.02 0.07 0.15 -0.10 0.08 -0.04 -0.25 0.19 0.03 -0.39 -0.02 0.01 0.00 -0.01 0.00 -0.01 0.01 -0.07 0.19 0.16 0.03 0.18 -0.22 0.21 -0.00 -0.07 0.31 0.01 -0.00 -0.01 -0.01 0.01 0.01 -0.00 0.03 0.05 -0.01 0.02 -0.02 -0.06 0.02 0.02 0.02 -0.03 -0.08 0.19 0.03 0.09 -0.18 -0.03 -0.05 0.11 -0.04 -0.05 0.07 0.02 0.07 -0.06 -0.05 -0.17 0.22 0.00 0.04 -0.07 -0.01 0.02 -0.01 -0.02 0.01 -0.01 0.00 0.03 -0.01 0.03 0.02 -0.04 -0.00 -0.01 0.04 0.01 -0.03 0.04 0.03 0.03 -0.08 0.02 0.10 -0.18 -0.01 -0.02 0.04 0.01 0.00 0.01 -0.02 -0.03 0.02 0.01 -0.00 0.00 -0.03 -0.02 -0.00 -0.01 0.01 -0.02 -0.02 -0.01 -0.01 -0.00 0.02 -0.07 -0.10 -0.16 0.17 -0.03 -0.22 0.22 -0.04 0.01 0.02 -0.00 0.12 -0.06 -0.14 0.01 0.02 0.05 -0.05 0.03 0.01 -0.03 0.03 0.04 -0.01 0.03 -0.04 -0.07 0.17 0.00 -0.11 0.20 0.08 0.27 -0.57 -0.00 -0.03 0.05 -0.03 -0.03 0.02 -0.01 -0.02 0.01 -0.03 0.00 -0.00 -0.01 0.02 -0.01 0.00 -0.01 0.00 -0.02 -0.02 0.02 -0.02 0.04 0.04 -0.05 -0.03 -0.05 -0.12 0.10 -0.09 0.01 -0.02 0.03 -0.01 0.02 -0.02 -0.03 0.00 0.02 0.07 -0.04 -0.00 0.01 0.05 -0.03 0.05 -0.05 0.03 0.00 0.02 -0.03 0.13 -0.02 0.08 -0.01 0.01 -0.00 0.09 -0.03 -0.08 0.02 0.15 0.09 0.02 -0.17 -0.08 -0.03 0.04 -0.02 -0.16 -0.05 0.09 -0.02 0.01 -0.03 -0.02 0.01 0.00 -0.04 0.01 -0.05 0.17 0.17 -0.13 -0.16 -0.09 -0.09 0.23 0.11 0.12 -0.12 -0.16 0.15 0.08 -0.04 0.03 0.01 -0.00 -0.02 0.03 -0.05 0.04 0.04 -0.05 0.04 0.01 0.02 0.01 0.01 0.03 -0.00 -0.10 0.01 0.01 0.02 -0.04 0.02 0.02 -0.02 0.01 -0.00 0.20 -0.05 0.12 -0.10 -0.20 0.15 -0.01 -0.28 -0.03 0.05 -0.09 -0.02 0.00 -0.01 0.16 0.21 -0.09 -0.14 0.02 -0.09 0.15 0.13 0.21 -0.15 -0.07 0.23 -0.02 -0.03 -0.01 0.09 0.06 0.00 -0.01 -0.00 -0.03 0.05 -0.02 -0.00 0.15 0.23 -0.01 -0.01 0.05 -0.09 0.03 -0.03 0.05 0.05 0.00 -0.05 -0.08 -0.01 0.04 0.01 0.02 -0.03 -0.12 -0.00 0.04 0.00 -0.01 -0.00 -0.06 0.06 0.10 -0.01 0.00 -0.00 0.02 0.13 -0.07 0.02 0.06 -0.02 0.00 -0.04 0.02 -0.04 -0.11 -0.01 0.06 -0.07 0.01 0.03 -0.02 0.07 0.04 -0.02 0.00 0.11 0.12 0.02 0.02 -0.16 0.07 -0.11 -0.06 -0.15 -0.06 -0.06 0.15 -0.19 0.01 -0.04 -0.11 -0.18 -0.06 0.01 0.02 -0.03 -0.14 -0.01 0.07 -0.16 0.02 0.06 -0.03 -0.02 0.03 -0.01 0.04 -0.02 -0.07 0.00 0.01 0.04 -0.02 0.02 -0.01 -0.01 0.02 0.17 0.13 -0.09 -0.15 -0.08 0.01 0.01 -0.10 -0.11 0.02 -0.12 0.24 0.04 -0.03 0.04 -0.19 -0.19 -0.00 -0.25 -0.24 -0.04 -0.08 0.15 0.21 -0.19 0.15 0.10 -0.01 -0.00 -0.00 0.02 0.02 0.00 -0.03 -0.07 -0.03 0.02 0.04 0.07 0.05 0.05 -0.01 -0.01 -0.10 0.18 -0.03 0.04 -0.07 -0.05 -0.03 0.09 0.01 0.06 -0.09 -0.02 -0.08 0.08 0.13 0.12 -0.18 -0.00 -0.04 0.08 -0.01 0.03 -0.02 0.02 -0.02 0.02 -0.01 0.00 0.06 -0.03 -0.02 0.05 0.01 0.01 -0.04 -0.03 -0.01 -0.06 0.01 -0.06 0.09 -0.01 0.04 -0.12 -0.03 0.03 -0.02 0.03 0.04 0.01 0.01 -0.05 0.02 -0.02 -0.01 -0.04 -0.02 -0.02 0.04 -0.05 0.01 -0.02 -0.03 -0.05 -0.02 -0.01 0.01 0.07 0.24 0.12 -0.18 0.26 0.14 -0.25 0.04 -0.01 -0.02 0.00 -0.11 0.05 0.19 -0.02 -0.03 -0.07 0.06 -0.04 -0.00 0.03 -0.03 0.02 0.01 0.01 -0.01 0.09 -0.26 -0.01 0.09 -0.25 0.03 0.20 -0.45 -0.02 0.07 -0.10 -0.05 -0.07 -0.01 -0.06 -0.08 -0.02 -0.02 0.04 0.06 -0.04 0.05 0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.04 -0.08 -0.03 -0.10 0.21 -0.02 -0.11 0.23 -0.00 -0.01 0.01 0.00 0.01 -0.01 -0.03 0.00 0.02 0.00 0.01 -0.01 -0.00 -0.01 0.01 -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 0.01 0.00 0.01 -0.01 0.03 0.04 -0.10 0.05 0.11 -0.24 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.06 0.00 0.02 -0.05 -0.00 0.03 -0.01 0.00 0.00 -0.00 0.02 -0.01 -0.02 0.00 0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.02 0.05 0.00 -0.02 0.04 0.07 0.11 -0.28 0.13 0.34 -0.74 0.00 0.01 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.05 -0.05 -0.03 0.01 0.01 -0.00 0.00 -0.02 0.00 0.02 0.01 -0.02 0.11 -0.14 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.02 -0.02 -0.02 -0.00 0.01 0.04 -0.01 -0.01 0.01 0.02 0.02 -0.00 0.03 0.13 0.04 0.01 -0.00 0.01 0.19 0.06 0.06 -0.17 0.35 0.12 0.16 -0.16 -0.05 -0.23 0.00 -0.03 0.04 -0.05 -0.04 0.00 0.00 0.00 0.00 -0.00 -0.00 0.09 -0.09 -0.08 -0.07 0.04 0.08 -0.04 0.09 0.05 0.00 -0.10 -0.06 0.06 -0.03 -0.09 -0.10 0.09 0.09 -0.02 0.00 0.03 -0.01 -0.01 0.02 -0.01 0.01 0.00 0.01 0.02 -0.00 0.01 0.03 -0.03 0.05 -0.01 -0.02 -0.07 0.01 -0.03 0.05 -0.01 -0.03 -0.11 0.35 0.17 0.09 -0.20 -0.02 -0.17 -0.08 -0.02 -0.00 -0.00 0.02 0.00 -0.00 -0.00 -0.16 0.10 0.13 -0.09 0.14 0.11 0.10 -0.20 -0.17 0.16 -0.15 -0.19 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.05 -0.03 -0.05 0.03 0.04 0.07 -0.06 0.04 0.00 -0.06 -0.03 0.09 0.04 -0.02 -0.05 0.07 -0.03 0.01 -0.09 0.03 -0.01 -0.01 -0.04 -0.00 -0.15 0.17 -0.14 -0.01 -0.04 0.05 -0.02 -0.11 0.24 0.01 -0.01 0.00 0.06 0.05 -0.19 0.07 0.04 -0.09 0.02 -0.07 0.06 0.04 -0.03 0.12 -0.01 0.07 -0.13 0.05 0.01 -0.01 0.05 -0.03 0.01 -0.01 -0.06 -0.03 -0.01 0.04 -0.01 0.00 -0.00 0.05 0.02 0.00 -0.05 0.03 -0.05 0.01 0.01 0.06 0.03 0.03 0.02 0.01 -0.07 0.17 -0.12 -0.07 0.19 -0.18 0.00 -0.03 -0.02 -0.01 -0.07 0.04 0.04 -0.00 0.01 0.03 0.01 0.01 -0.04 0.01 0.01 0.11 0.14 -0.31 0.03 -0.22 0.46 0.07 -0.11 0.19 0.13 0.02 -0.15 0.04 -0.01 0.04 -0.01 0.14 0.08 -0.02 0.11 0.09 0.00 -0.02 -0.03 -0.01 -0.06 -0.00 0.02 0.02 0.01 0.02 0.01 -0.00 0.00 0.04 0.02 -0.01 -0.03 0.01 -0.03 0.12 0.01 0.02 -0.00 -0.01 -0.02 0.01 0.01 -0.03 0.01 0.00 0.05 0.01 0.01 0.01 0.00 -0.06 0.07 -0.03 0.01 -0.02 -0.03 -0.00 0.01 -0.03 -0.00 -0.01 0.01 -0.01 -0.08 -0.02 -0.03 0.04 -0.09 -0.01 -0.08 0.02 -0.00 0.04 -0.02 0.00 -0.05 -0.01 0.05 -0.02 -0.00 -0.00 -0.02 0.01 -0.00 0.16 -0.13 -0.13 -0.01 0.01 0.11 -0.07 0.06 0.02 0.08 -0.11 -0.03 0.02 -0.08 -0.12 -0.15 0.11 0.12 0.03 -0.02 -0.05 0.07 -0.03 0.00 0.07 -0.03 0.01 -0.00 -0.03 0.02 -0.01 -0.04 0.02 -0.09 0.02 0.03 0.09 -0.02 0.04 -0.07 0.01 0.04 0.04 -0.06 -0.10 -0.07 0.07 -0.12 0.08 0.03 -0.15 -0.05 0.00 0.02 -0.02 0.01 -0.01 -0.28 0.33 0.37 -0.32 0.31 0.31 0.12 -0.03 -0.04 0.05 -0.05 -0.09 0.01 0.01 0.00 0.00 0.00 -0.00 -0.01 -0.13 0.04 -0.08 -0.02 -0.21 -0.00 0.02 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.06 -0.06 -0.02 0.06 0.27 0.01 -0.01 -0.01 0.08 0.17 -0.02 -0.01 -0.03 0.04 0.05 -0.00 0.06 -0.03 0.02 -0.04 0.02 -0.02 -0.02 -0.04 0.02 0.02 0.03 -0.01 0.02 -0.00 0.01 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.02 -0.01 -0.01 0.00 -0.00 0.02 -0.01 0.01 -0.00 0.01 -0.02 0.00 -0.00 -0.01 -0.02 -0.02 0.01 0.01 -0.16 0.04 0.21 -0.02 -0.00 -0.04 0.02 -0.05 -0.01 0.02 0.14 0.05 0.07 0.25 -0.07 0.29 -0.11 -0.16 -0.47 0.07 -0.20 0.40 -0.09 -0.17 0.03 0.00 -0.09 -0.06 -0.00 0.07 0.03 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.04 0.03 0.05 -0.04 0.03 0.03 0.02 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 0.00 0.01 0.01 0.00 0.02 0.10 0.10 -0.04 -0.10 -0.05 0.06 -0.09 0.01 0.08 -0.02 -0.02 -0.06 0.03 0.02 -0.09 0.04 0.00 0.11 -0.00 -0.01 0.01 0.02 -0.05 0.26 -0.05 -0.05 -0.02 -0.04 -0.01 -0.03 -0.10 0.20 -0.02 0.01 -0.01 -0.02 0.07 -0.12 -0.06 0.03 -0.05 -0.04 0.05 0.05 -0.09 -0.03 0.07 0.05 0.04 -0.11 -0.06 -0.02 -0.02 -0.07 0.04 0.00 -0.00 0.05 0.03 -0.00 -0.02 0.01 -0.01 0.02 -0.03 -0.02 0.00 0.04 -0.01 0.05 -0.01 0.00 -0.05 -0.03 0.03 -0.07 -0.03 0.31 -0.05 -0.06 0.29 -0.01 -0.07 0.00 -0.05 0.09 -0.01 -0.03 0.01 -0.09 0.03 0.03 0.09 -0.03 0.04 -0.06 0.01 0.03 -0.04 0.15 -0.35 -0.14 -0.11 0.39 -0.13 0.05 0.03 -0.15 0.02 0.05 -0.06 0.01 -0.02 0.04 -0.15 -0.11 0.08 -0.13 -0.14 0.03 -0.03 -0.02 0.07 -0.01 -0.05 0.01 0.00 0.00 0.01 0.01 0.00 0.10 0.28 0.19 -0.05 -0.23 -0.14 -0.01 -0.06 -0.00 -0.08 -0.01 0.08 0.03 -0.03 -0.03 0.07 -0.03 0.00 0.04 0.01 0.00 -0.02 -0.00 0.06 -0.19 0.18 -0.12 -0.08 -0.14 -0.04 0.04 0.01 -0.07 0.06 -0.02 0.03 -0.04 -0.03 0.02 -0.00 0.04 -0.00 -0.04 -0.00 -0.02 0.01 0.06 -0.04 -0.04 -0.01 0.04 0.05 0.01 0.01 0.05 -0.03 -0.00 0.02 0.02 0.00 0.02 -0.02 0.05 -0.01 0.04 -0.05 0.03 -0.01 0.06 -0.00 0.05 -0.06 -0.04 -0.04 -0.01 -0.04 -0.10 0.05 -0.17 0.17 -0.07 -0.18 0.17 -0.13 -0.04 -0.15 0.17 -0.10 -0.15 -0.10 0.20 -0.02 0.00 -0.01 0.03 -0.02 0.07 0.02 -0.04 -0.12 -0.11 0.30 -0.02 0.03 -0.08 -0.02 -0.11 0.28 0.15 0.02 -0.15 0.03 0.01 0.02 0.02 -0.11 -0.03 -0.02 -0.02 -0.05 0.11 -0.01 -0.01 0.08 0.06 -0.04 0.02 0.02 0.01 0.02 0.01 0.00 -0.04 -0.13 -0.04 -0.01 0.07 0.04 -0.06 -0.15 0.00 -0.01 0.00 0.01 0.00 -0.01 -0.01 0.01 -0.00 -0.00 0.03 -0.01 0.02 0.03 -0.00 -0.06 -0.02 0.03 0.01 0.07 0.08 0.04 0.06 -0.07 0.01 -0.08 0.02 -0.03 -0.06 -0.10 -0.05 0.01 0.06 -0.01 -0.06 -0.05 -0.04 0.04 0.12 0.01 -0.10 0.03 0.00 0.01 -0.00 0.01 0.01 -0.00 0.00 0.04 0.01 -0.01 0.04 -0.02 0.14 -0.03 0.10 -0.12 0.09 -0.01 0.17 -0.00 0.14 -0.14 -0.08 -0.10 -0.02 0.05 -0.03 -0.04 -0.06 0.04 -0.05 -0.05 -0.07 0.05 0.01 0.06 0.00 0.09 0.15 0.13 -0.20 0.04 0.02 0.02 -0.02 0.03 -0.13 0.01 0.03 -0.18 -0.05 0.15 0.04 -0.07 0.08 0.05 -0.08 0.32 0.03 0.01 -0.05 0.00 0.01 0.00 0.12 -0.32 -0.14 -0.02 -0.06 -0.16 0.35 -0.11 -0.10 0.23 0.12 -0.12 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.01 0.00 -0.00 0.00 0.01 0.01 0.00 -0.00 -0.00 -0.01 0.01 0.01 0.01 -0.00 -0.00 -0.01 0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 0.01 -0.03 0.04 0.03 0.04 -0.06 -0.04 -0.04 0.04 0.03 0.04 -0.06 -0.04 -0.00 0.01 0.01 -0.00 -0.00 0.00 0.02 -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 -0.02 0.04 -0.00 0.01 -0.01 -0.02 -0.04 0.07 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.20 -0.29 -0.26 -0.25 0.38 0.32 0.18 -0.29 -0.25 -0.26 0.35 0.31 0.01 0.00 0.00 0.00 0.00 0.00 -0.03 0.09 -0.07 0.03 0.09 0.06 -0.03 -0.03 0.01 0.01 0.00 -0.02 0.01 0.02 0.02 -0.01 0.00 -0.00 -0.04 -0.04 -0.05 -0.05 0.02 0.09 -0.01 -0.11 0.01 -0.14 -0.08 -0.08 0.01 -0.01 -0.01 0.16 -0.04 0.05 -0.01 -0.03 -0.01 0.01 0.00 0.04 -0.01 -0.02 -0.02 0.03 0.01 0.06 -0.03 0.02 -0.03 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.01 0.01 0.00 0.04 -0.01 0.03 -0.03 0.02 0.00 0.05 0.00 0.04 -0.04 -0.02 -0.03 -0.01 -0.06 0.20 0.06 0.01 -0.16 0.28 0.02 0.15 -0.06 0.04 0.03 -0.28 -0.16 -0.34 -0.24 0.33 -0.08 -0.04 -0.02 0.03 -0.04 0.26 -0.04 -0.04 0.02 0.11 -0.23 0.00 -0.06 0.09 0.10 0.12 -0.24 -0.03 0.02 0.04 0.01 -0.03 -0.01 0.06 -0.12 -0.06 -0.00 -0.02 -0.05 0.12 -0.07 -0.06 0.07 0.03 -0.04 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.02 0.01 0.03 0.02 -0.00 -0.01 -0.02 0.02 -0.00 -0.01 -0.00 0.01 0.01 -0.02 0.01 0.00 -0.02 -0.02 -0.00 -0.01 0.01 0.02 0.04 -0.04 -0.01 -0.03 -0.01 -0.02 -0.02 -0.03 0.08 0.04 -0.01 0.01 0.01 0.01 -0.02 0.01 0.03 -0.07 0.00 -0.00 0.02 0.02 0.04 -0.10 -0.00 -0.02 0.05 -0.01 0.00 -0.01 -0.01 0.01 0.00 -0.02 0.03 0.03 0.02 -0.03 -0.02 0.01 -0.01 -0.01 0.02 -0.03 -0.02 0.01 -0.01 -0.01 -0.01 0.02 0.02 -0.02 0.05 0.01 0.08 -0.05 0.07 0.07 0.05 -0.04 0.00 0.01 -0.08 -0.04 -0.07 -0.06 0.07 -0.02 -0.01 -0.00 0.00 -0.01 0.07 -0.02 -0.01 -0.06 -0.18 0.41 0.03 0.05 -0.10 -0.09 -0.31 0.67 -0.04 -0.00 0.04 -0.00 -0.01 -0.00 -0.10 0.15 0.13 -0.03 0.06 0.04 -0.11 0.17 0.15 -0.04 0.06 0.05 -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 0.05 0.01 0.00 -0.01 0.03 -0.01 -0.01 0.00 -0.00 -0.01 0.03 -0.01 0.02 0.01 -0.01 0.01 0.01 0.01 0.02 0.01 -0.01 -0.01 0.00 -0.01 -0.00 0.01 0.01 -0.00 0.00 0.00 0.01 -0.01 0.01 -0.00 -0.02 -0.00 -0.02 0.02 0.01 -0.00 -0.02 -0.01 -0.00 0.01 0.02 0.05 -0.13 -0.00 0.01 -0.01 0.04 -0.06 -0.06 -0.03 0.03 0.02 -0.02 0.02 0.04 -0.03 0.04 0.01 -0.02 0.01 0.04 0.03 -0.02 -0.03 -0.00 0.03 0.01 0.01 0.03 -0.06 0.03 -0.05 0.02 0.00 -0.01 0.02 -0.01 -0.03 -0.01 0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.03 -0.01 -0.00 0.01 -0.05 0.11 0.02 0.06 -0.17 -0.01 -0.08 0.13 -0.14 -0.29 0.69 -0.02 -0.03 0.10 0.11 -0.16 -0.14 0.10 -0.15 -0.10 0.13 -0.22 -0.20 0.10 -0.22 -0.16 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 -0.06 -0.01 -0.01 -0.01 0.03 -0.01 -0.01 -0.00 0.01 -0.02 0.03 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.01 0.02 0.01 0.00 -0.00 0.01 0.01 0.00 -0.02 -0.00 -0.00 -0.00 0.00 -0.02 0.01 -0.01 0.00 0.03 0.01 0.01 -0.03 -0.00 0.01 0.03 0.00 0.01 -0.02 0.02 0.05 -0.11 0.00 0.00 -0.01 -0.05 0.07 0.07 0.03 -0.04 -0.02 0.02 -0.02 -0.05 0.05 -0.04 -0.01 0.03 -0.01 -0.05 -0.04 0.02 0.03 0.00 -0.00 0.00 -0.03 0.03 -0.04 -0.00 -0.04 0.02 0.01 -0.00 0.02 0.00 0.00 0.01 -0.00 0.00 0.01 0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 0.07 -0.13 -0.01 -0.08 0.21 0.02 0.10 -0.16 -0.11 -0.26 0.61 -0.02 -0.03 0.09 -0.12 0.17 0.16 -0.11 0.17 0.11 -0.13 0.26 0.23 -0.11 0.26 0.18 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.05 0.06 0.09 -0.01 0.04 0.05 0.00 0.01 0.00 -0.01 -0.02 0.01 0.04 0.04 0.03 -0.01 -0.01 0.01 -0.04 -0.10 -0.09 0.02 -0.09 -0.01 -0.06 -0.13 -0.12 0.09 0.10 -0.02 -0.00 -0.00 -0.00 -0.09 -0.02 -0.01 -0.00 0.01 0.00 0.01 0.00 0.00 -0.01 0.01 0.01 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.05 -0.02 0.02 0.00 -0.02 0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.05 -0.29 -0.03 0.05 -0.23 0.47 0.02 0.46 -0.28 -0.04 0.05 -0.07 0.11 0.20 0.07 0.09 0.03 0.03 -0.04 0.07 -0.00 -0.26 0.11 -0.04 0.01 0.00 0.00 -0.03 0.03 -0.04 0.02 -0.01 -0.01 -0.05 -0.02 0.17 0.02 -0.09 0.07 0.01 -0.01 -0.01 0.01 -0.01 -0.00 0.01 -0.02 -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 -0.00 0.04 -0.02 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 -0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.05 0.00 -0.01 0.00 0.03 0.07 -0.16 0.01 0.00 -0.04 -0.01 -0.04 0.10 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 -0.02 -0.02 -0.01 0.01 0.00 -0.00 0.00 0.01 -0.01 0.01 -0.00 -0.01 -0.00 0.02 0.01 -0.00 -0.01 -0.00 -0.01 -0.00 0.01 -0.01 0.01 0.01 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.01 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 -0.13 -0.37 0.87 -0.01 -0.08 0.12 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.02 -0.02 -0.02 0.01 -0.03 -0.01 0.03 -0.07 -0.06 0.03 -0.08 -0.05 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 0.03 -0.01 -0.01 0.03 0.01 0.00 0.01 -0.00 0.01 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.02 0.03 0.07 -0.16 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 -0.00 0.01 -0.02 -0.01 -0.02 0.02 0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.01 -0.00 -0.00 0.00 -0.01 0.00 0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.03 0.05 -0.14 -0.14 -0.40 0.87 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.04 0.03 0.02 -0.00 -0.00 -0.00 -0.02 -0.07 0.03 -0.01 0.06 0.03 0.28 0.01 0.01 -0.03 0.00 0.04 -0.00 -0.01 -0.01 0.03 -0.02 -0.00 0.15 -0.08 -0.02 0.00 0.07 -0.01 -0.07 0.01 -0.03 -0.06 -0.00 -0.02 0.11 -0.09 -0.01 0.02 0.03 -0.02 -0.24 -0.16 -0.10 -0.04 0.15 0.05 -0.17 -0.04 -0.06 0.01 0.13 0.05 -0.01 -0.03 -0.00 0.02 0.02 -0.00 0.01 -0.02 0.00 0.08 0.06 0.00 -0.04 0.03 -0.06 0.01 -0.04 0.07 -0.12 -0.01 -0.12 -0.02 -0.12 0.09 0.02 0.03 0.01 0.08 0.10 0.03 -0.14 -0.01 0.11 -0.11 0.05 -0.02 0.08 0.08 -0.13 -0.05 -0.16 -0.07 -0.18 0.02 0.01 0.09 -0.06 0.03 0.08 -0.05 0.05 -0.35 0.08 0.03 -0.26 -0.09 -0.01 0.03 0.09 0.10 0.02 -0.01 0.06 -0.00 0.02 -0.02 -0.07 -0.02 -0.12 0.01 -0.11 0.06 -0.27 -0.01 0.02 -0.21 -0.03 0.14 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.03 0.09 -0.08 0.00 -0.04 -0.03 0.04 -0.00 0.00 0.02 0.01 -0.02 -0.01 -0.01 -0.00 -0.01 0.00 -0.00 -0.05 0.06 -0.01 -0.07 -0.12 -0.01 0.03 -0.00 0.08 0.04 0.11 0.07 -0.02 -0.01 0.01 0.03 -0.13 0.01 -0.03 -0.03 -0.02 0.00 0.03 0.01 -0.02 -0.05 -0.02 0.04 0.05 0.02 -0.01 -0.00 -0.00 -0.00 -0.02 0.00 -0.00 0.01 0.00 0.01 0.01 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 -0.02 0.00 -0.02 0.01 0.00 0.00 0.00 -0.07 -0.07 -0.02 -0.02 0.03 -0.10 0.04 -0.16 0.11 0.26 0.19 0.26 0.05 -0.07 0.02 0.58 0.00 0.08 0.12 0.19 0.01 -0.43 0.21 -0.07 -0.04 0.03 -0.02 -0.01 -0.06 -0.02 0.05 0.01 0.07 0.00 0.00 -0.04 -0.01 0.01 0.02 0.01 -0.03 -0.04 0.02 -0.04 -0.01 -0.05 0.03 0.02 -0.04 0.02 0.04 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.02 -0.08 0.06 0.01 0.03 -0.05 -0.03 0.00 -0.00 -0.01 0.00 0.02 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.07 -0.06 -0.05 -0.05 0.07 -0.02 -0.03 -0.00 -0.01 -0.09 0.07 0.06 0.02 -0.00 0.01 0.04 -0.04 -0.05 0.03 0.03 0.01 -0.00 -0.02 -0.00 0.01 0.06 0.03 -0.04 -0.05 -0.04 0.01 -0.00 0.00 0.01 0.01 0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.02 0.00 0.01 0.02 -0.01 0.02 0.00 0.00 -0.00 -0.00 0.21 0.08 0.10 -0.07 -0.01 0.05 -0.05 0.02 -0.01 0.44 0.32 0.14 -0.09 -0.42 -0.16 0.01 0.07 0.12 0.39 0.01 0.11 -0.27 0.08 0.09 0.04 0.01 -0.05 0.00 0.06 0.01 -0.07 -0.06 0.03 0.01 0.01 0.01 -0.01 0.01 -0.00 -0.03 0.06 0.07 -0.04 0.08 0.05 0.07 -0.06 -0.06 0.06 -0.06 -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.02 -0.01 -0.00 -0.00 0.01 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 0.01 0.00 0.00 -0.02 0.00 0.00 0.00 0.01 0.01 -0.00 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.01 -0.02 -0.01 -0.01 -0.01 0.01 0.01 -0.01 -0.01 -0.00 0.01 0.02 0.01 0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.03 0.03 0.04 -0.06 -0.05 0.04 -0.06 -0.05 -0.04 0.05 0.04 -0.04 0.05 0.05 0.01 -0.02 -0.01 -0.04 -0.01 -0.02 -0.00 0.00 -0.01 0.01 -0.02 0.01 -0.05 -0.04 -0.01 0.02 0.06 0.02 0.03 -0.01 -0.02 -0.05 0.01 -0.02 0.02 -0.00 -0.02 -0.03 0.02 -0.03 -0.01 -0.01 -0.02 0.01 0.02 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.23 0.33 0.28 -0.23 0.36 0.29 0.20 -0.31 -0.27 0.21 -0.33 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.03 0.02 0.01 -0.01 -0.03 0.01 -0.00 0.00 -0.04 -0.14 -0.07 0.18 -0.12 -0.02 -0.24 0.35 0.12 -0.04 0.02 0.03 -0.01 0.03 0.00 -0.03 -0.01 -0.04 -0.02 0.00 0.01 -0.02 0.01 -0.01 0.01 0.00 -0.02 -0.01 -0.01 0.00 0.00 0.01 -0.02 -0.00 -0.03 -0.02 0.02 0.02 0.04 -0.01 0.00 -0.00 -0.16 -0.09 -0.08 0.26 0.06 0.07 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.07 0.02 0.04 0.13 -0.02 -0.03 -0.12 0.05 -0.01 0.09 0.05 0.08 -0.03 -0.09 -0.05 -0.06 0.02 0.03 0.09 -0.02 0.03 -0.02 -0.01 0.03 -0.04 -0.07 0.14 -0.00 -0.04 -0.00 0.04 0.08 -0.10 0.27 -0.43 -0.11 0.39 -0.21 -0.06 -0.03 0.04 0.03 0.00 -0.01 -0.00 0.02 -0.04 -0.03 -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 0.01 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 0.01 -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 -0.04 0.06 0.05 0.04 -0.06 -0.05 0.04 -0.06 -0.05 -0.04 0.06 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 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.03 -0.06 -0.00 0.00 -0.01 0.00 -0.02 0.03 0.01 -0.01 -0.00 0.01 -0.00 -0.00 0.23 -0.34 -0.29 -0.21 0.33 0.26 -0.23 0.34 0.29 0.22 -0.34 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.02 0.02 0.01 -0.00 -0.02 0.00 -0.00 0.00 0.02 0.00 -0.00 -0.01 0.03 0.02 0.01 -0.03 -0.01 -0.07 0.00 0.02 -0.01 0.02 -0.00 0.02 -0.00 -0.02 -0.02 0.00 0.01 -0.03 -0.00 0.02 0.01 0.00 -0.01 -0.00 -0.00 0.01 0.02 0.05 -0.11 0.00 -0.03 -0.03 0.02 -0.01 0.10 -0.01 0.00 -0.01 0.01 -0.00 0.00 -0.03 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 0.05 0.00 0.03 0.08 -0.01 -0.01 0.05 0.04 -0.04 0.06 0.04 0.05 -0.02 -0.07 -0.03 -0.03 0.02 0.02 0.07 -0.01 0.02 -0.03 -0.00 0.02 -0.12 -0.32 0.71 -0.02 -0.07 0.05 0.10 0.25 -0.46 -0.04 0.03 0.00 -0.03 -0.00 -0.01 0.01 -0.01 -0.01 -0.03 0.04 0.04 -0.01 0.01 0.01 0.02 -0.03 -0.03 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.09 0.05 -0.09 -0.04 -0.01 0.10 -0.03 0.00 -0.00 -0.03 0.01 0.03 -0.01 -0.08 -0.04 0.00 0.04 0.02 0.24 -0.04 -0.01 -0.03 -0.05 -0.03 -0.05 0.03 0.03 0.04 0.06 -0.07 0.11 -0.05 0.05 0.02 -0.04 0.04 0.01 0.00 -0.00 0.01 0.04 -0.08 -0.00 0.16 0.05 -0.13 -0.14 -0.02 0.03 -0.00 0.00 -0.01 0.03 0.00 0.05 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.01 0.01 -0.00 0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.23 0.01 -0.14 -0.19 0.02 0.06 -0.13 -0.08 0.09 -0.06 0.02 -0.11 0.07 0.13 0.06 0.29 -0.06 -0.05 -0.16 0.07 -0.06 0.04 0.04 -0.10 -0.02 -0.20 0.49 0.01 0.14 0.12 -0.09 0.01 -0.34 0.05 -0.03 0.02 0.02 0.05 0.02 0.03 -0.02 -0.01 -0.01 0.02 0.00 0.00 0.02 0.01 0.02 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.04 -0.05 -0.04 -0.01 -0.08 0.02 0.00 -0.01 -0.00 -0.03 -0.10 -0.02 0.14 0.33 0.18 -0.03 -0.08 -0.04 0.09 0.13 0.12 -0.05 -0.00 -0.04 -0.08 -0.01 -0.06 0.00 0.06 -0.05 0.03 0.01 -0.01 0.05 -0.00 0.02 -0.01 -0.03 -0.01 -0.01 -0.01 0.01 0.01 0.02 0.01 -0.04 -0.02 -0.02 0.01 0.01 0.00 0.03 -0.17 -0.08 -0.08 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 -0.14 0.03 -0.09 0.19 -0.03 0.06 -0.41 0.21 0.06 0.10 0.07 0.22 0.01 0.01 -0.02 0.06 -0.03 -0.03 -0.02 -0.02 -0.02 0.14 -0.04 -0.02 0.03 0.03 -0.07 0.07 0.03 0.02 -0.07 -0.01 0.02 0.14 -0.28 -0.09 0.10 -0.38 -0.18 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 0.01 0.00 0.01 -0.03 0.02 0.00 -0.06 0.07 0.02 0.01 0.00 0.00 0.01 0.00 -0.01 -0.03 -0.01 0.00 0.00 0.00 -0.02 -0.00 0.02 -0.04 0.02 -0.03 0.01 0.02 -0.02 -0.01 0.07 -0.07 -0.01 0.01 -0.01 0.03 0.01 0.01 0.00 0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.02 -0.01 0.01 0.01 0.00 -0.01 0.00 -0.00 -0.00 0.02 0.01 0.00 -0.00 -0.00 -0.02 -0.02 -0.01 -0.03 0.14 -0.19 0.12 -0.09 0.20 0.07 -0.07 0.14 -0.03 0.10 -0.14 -0.10 -0.06 -0.00 -0.12 -0.09 -0.06 0.02 0.02 -0.02 0.04 0.02 -0.03 0.08 0.09 0.05 -0.00 -0.01 -0.07 0.01 -0.02 -0.02 0.01 -0.02 -0.00 0.10 -0.03 -0.01 -0.01 0.01 -0.05 -0.02 -0.02 -0.01 0.01 0.01 0.03 -0.02 0.03 0.01 -0.01 0.04 0.01 -0.33 0.07 -0.34 -0.07 -0.30 0.35 -0.07 -0.26 0.24 -0.26 0.02 -0.25 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.03 -0.08 0.04 0.00 -0.17 0.19 -0.00 -0.00 -0.00 0.01 0.02 0.01 -0.04 -0.07 -0.04 0.01 0.01 0.01 -0.06 -0.01 0.07 -0.10 0.07 -0.09 0.04 0.05 -0.05 -0.02 0.20 -0.21 -0.04 0.02 -0.02 0.10 0.02 0.02 0.02 0.04 0.02 -0.01 -0.03 0.01 -0.00 -0.06 -0.02 0.04 0.05 0.02 -0.01 -0.00 -0.00 -0.00 0.04 0.02 0.01 -0.01 -0.00 0.01 0.00 0.00 0.01 -0.06 0.08 -0.05 0.04 -0.08 -0.03 0.03 -0.06 0.01 -0.04 0.06 0.04 0.02 0.00 -0.34 -0.27 -0.17 0.05 0.05 -0.07 0.13 0.04 -0.09 0.22 0.26 0.14 -0.01 -0.03 -0.19 0.01 -0.04 -0.05 0.03 -0.07 -0.01 0.29 -0.09 -0.01 -0.04 0.02 -0.15 -0.09 -0.07 -0.06 0.01 0.06 0.08 -0.05 0.08 0.02 -0.04 0.10 0.04 0.14 -0.03 0.15 0.03 0.13 -0.15 0.03 0.11 -0.10 0.11 -0.00 0.11 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.05 -0.02 -0.06 -0.00 -0.02 -0.08 0.00 -0.01 -0.00 -0.05 -0.03 -0.01 -0.01 -0.07 -0.03 0.04 0.00 0.01 0.10 0.18 0.14 -0.01 -0.05 0.02 -0.03 -0.14 -0.09 0.00 -0.01 0.03 0.00 0.04 0.02 0.01 0.02 -0.01 0.01 0.01 0.00 -0.01 -0.05 -0.02 0.01 -0.05 -0.02 -0.01 0.03 0.01 0.00 0.01 0.00 -0.01 0.18 0.08 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 0.06 0.15 0.04 0.42 -0.20 0.25 -0.28 0.32 -0.05 0.07 -0.00 0.25 0.00 -0.00 0.01 -0.08 0.00 -0.00 0.03 -0.05 0.01 0.04 -0.04 0.04 -0.02 -0.05 -0.03 -0.02 -0.06 -0.03 -0.14 0.15 0.06 -0.21 0.35 0.10 -0.01 0.11 0.03 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.02 -0.01 -0.00 -0.00 -0.00 -0.02 0.01 0.00 -0.01 0.03 0.01 -0.01 0.00 0.00 -0.01 -0.00 0.01 0.01 0.02 0.01 -0.00 -0.00 -0.00 0.13 -0.04 -0.07 0.01 0.01 -0.03 -0.03 0.02 0.03 0.00 -0.02 0.02 0.00 0.01 0.03 -0.01 -0.02 0.02 0.10 0.17 0.08 -0.01 -0.12 -0.06 -0.04 -0.11 -0.06 0.03 0.12 0.06 0.01 -0.02 -0.01 0.01 -0.03 -0.02 -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 -0.04 0.06 -0.06 -0.16 0.02 0.02 -0.08 -0.07 0.07 -0.04 -0.03 -0.09 0.01 0.01 0.06 0.11 -0.02 -0.02 -0.08 0.05 -0.02 -0.02 0.03 -0.05 -0.26 -0.18 -0.09 -0.59 -0.21 -0.17 -0.24 0.38 0.15 0.08 -0.09 -0.02 0.01 -0.05 -0.02 -0.02 -0.00 -0.01 -0.01 -0.01 0.01 -0.01 -0.02 0.01 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.03 0.05 -0.09 -0.01 -0.08 0.04 -0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.02 -0.01 0.03 0.09 -0.09 0.22 0.00 0.03 0.00 -0.02 0.08 -0.13 0.00 -0.01 -0.00 -0.06 0.03 -0.09 0.02 0.03 0.01 -0.00 -0.01 -0.00 -0.01 -0.01 -0.00 0.00 0.01 0.01 0.01 -0.01 -0.00 0.00 -0.02 -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 0.01 0.00 -0.00 0.47 0.06 0.38 -0.03 0.03 -0.03 0.01 -0.02 0.01 0.01 0.12 -0.33 -0.01 -0.08 -0.15 -0.34 0.12 0.13 0.25 -0.08 0.09 -0.26 -0.01 0.18 -0.04 -0.01 -0.02 -0.10 -0.02 -0.02 -0.01 0.03 0.01 0.02 -0.04 -0.01 0.00 -0.01 -0.00 -0.01 -0.00 -0.00 -0.01 -0.01 0.00 -0.00 -0.01 0.01 -0.01 -0.00 -0.01 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 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.01 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.00 0.01 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 0.02 0.01 -0.00 -0.07 -0.09 0.06 -0.10 -0.02 -0.05 0.06 -0.03 0.08 -0.02 0.06 -0.08 0.31 0.21 -0.00 -0.02 -0.01 -0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.02 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.44 -0.20 -0.11 -0.28 -0.24 0.08 -0.13 -0.31 0.25 -0.41 -0.04 -0.28 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.05 0.03 -0.00 -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 -0.02 -0.03 0.09 0.09 0.15 -0.02 0.01 0.02 -0.04 0.01 -0.03 -0.08 -0.00 0.01 -0.02 -0.07 -0.11 0.03 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -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 0.19 0.52 -0.00 0.13 0.02 -0.04 -0.02 0.04 -0.03 -0.14 -0.10 -0.14 -0.00 0.11 -0.06 0.45 0.00 0.06 -0.07 0.28 -0.03 -0.40 0.22 -0.14 0.02 0.02 -0.04 0.04 0.00 0.00 0.01 -0.01 0.00 -0.04 0.04 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 0.01 -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 0.01 -0.02 0.03 0.05 0.05 -0.02 -0.07 -0.02 -0.03 -0.07 -0.03 -0.02 0.04 0.06 -0.03 0.03 -0.01 0.04 -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 0.02 0.00 0.00 0.01 0.00 -0.00 -0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.48 0.17 0.18 -0.33 -0.34 0.16 -0.32 -0.36 0.17 0.36 0.15 0.11 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.02 -0.02 0.04 -0.00 -0.01 0.00 0.00 0.04 -0.03 -0.00 0.03 -0.00 0.00 -0.01 -0.08 -0.04 -0.01 -0.05 0.05 -0.09 0.03 0.04 -0.03 0.02 -0.02 0.07 -0.03 -0.00 0.03 -0.02 -0.02 0.05 -0.02 -0.05 0.03 0.01 0.01 -0.01 0.00 0.00 -0.01 0.02 0.01 0.01 -0.00 -0.00 0.01 -0.01 -0.00 -0.07 -0.07 -0.04 0.09 0.14 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 -0.13 -0.01 0.03 -0.02 0.02 -0.01 -0.06 0.02 -0.01 -0.14 -0.15 0.15 -0.00 0.22 -0.13 -0.02 0.05 0.08 0.28 -0.05 0.06 -0.07 -0.02 0.08 -0.13 -0.01 -0.05 -0.16 -0.00 -0.03 0.06 -0.05 -0.02 -0.48 0.22 0.00 -0.06 0.51 0.23 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 0.03 0.03 -0.05 0.00 0.01 -0.00 -0.00 0.03 -0.01 -0.00 0.02 -0.01 -0.00 -0.01 -0.06 -0.03 0.02 0.07 -0.07 0.13 -0.04 -0.05 -0.04 -0.01 0.02 -0.09 0.05 0.01 -0.03 0.02 0.02 -0.06 0.03 0.08 -0.03 -0.01 -0.01 0.02 -0.01 -0.01 0.02 -0.03 -0.01 -0.01 0.01 0.00 -0.01 0.01 0.00 -0.05 -0.06 -0.03 0.07 0.10 0.06 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.16 0.01 -0.05 -0.11 -0.01 0.04 -0.05 0.01 0.02 0.19 0.21 -0.21 0.00 -0.30 0.18 0.03 -0.07 -0.11 -0.39 0.06 -0.09 0.11 0.02 -0.11 0.18 0.01 0.06 0.18 -0.00 0.03 -0.10 0.09 0.03 -0.33 0.14 -0.01 -0.05 0.40 0.18 -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 0.01 -0.01 0.01 -0.02 -0.00 0.02 0.01 -0.01 -0.00 0.02 0.03 0.02 -0.01 -0.01 -0.01 -0.01 0.00 -0.00 0.05 0.01 -0.05 -0.06 0.04 0.03 -0.01 -0.01 0.01 0.05 -0.02 -0.02 -0.05 0.07 0.03 0.03 -0.02 -0.04 -0.08 -0.02 -0.02 0.06 -0.03 -0.01 0.03 -0.07 -0.02 -0.05 0.02 0.00 -0.01 0.02 0.01 0.01 -0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.05 0.02 0.04 -0.18 -0.02 0.09 0.05 -0.00 -0.02 -0.12 -0.11 0.03 0.00 0.15 -0.09 -0.01 0.04 0.06 0.20 -0.02 0.04 -0.08 -0.00 0.05 0.54 0.04 0.12 0.37 -0.02 0.05 -0.41 0.37 0.12 0.07 -0.07 -0.02 -0.02 0.02 0.01 -0.03 -0.01 -0.01 -0.00 0.01 0.00 0.01 0.02 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 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 0.01 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 -0.03 -0.02 -0.01 -0.01 0.02 0.01 0.01 -0.01 -0.00 0.01 0.00 0.00 0.05 -0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.08 -0.05 -0.00 0.02 0.00 0.01 0.02 0.03 -0.01 0.01 -0.04 0.05 -0.04 0.01 -0.05 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.02 -0.00 0.01 0.01 0.00 -0.01 0.01 0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.02 0.03 0.01 -0.10 -0.03 -0.02 -0.04 0.06 0.02 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.47 0.12 0.23 0.33 0.41 -0.25 -0.17 -0.27 0.18 -0.39 -0.08 -0.21 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 0.05 -0.06 0.00 0.06 -0.06 -0.03 0.00 -0.00 0.04 0.03 0.02 -0.02 -0.01 -0.01 -0.01 0.01 0.00 -0.07 -0.18 0.25 0.06 -0.07 -0.04 0.02 0.04 -0.08 -0.04 0.03 0.04 0.09 -0.00 -0.04 -0.02 0.02 0.04 -0.01 -0.02 -0.00 0.06 -0.00 0.02 -0.02 0.00 0.00 -0.06 0.01 -0.01 0.04 -0.02 -0.00 0.00 -0.05 -0.02 -0.01 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 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.07 -0.07 -0.03 0.03 0.03 0.25 0.06 -0.19 0.20 0.14 0.19 -0.05 -0.10 -0.06 -0.02 -0.05 -0.07 -0.20 -0.00 -0.04 0.11 -0.01 -0.04 0.32 0.06 0.02 -0.21 -0.03 -0.05 -0.45 0.38 0.12 0.03 -0.08 -0.01 -0.01 -0.01 -0.00 -0.06 -0.02 -0.03 -0.05 -0.06 0.04 0.05 0.06 -0.04 0.08 0.02 0.04 0.00 0.00 0.00 -0.00 -0.00 0.00 0.02 0.01 0.01 0.01 -0.02 0.02 -0.00 0.00 -0.00 -0.07 -0.10 -0.06 0.02 0.04 0.02 0.05 -0.00 0.01 -0.08 -0.04 -0.07 -0.01 0.02 0.01 0.02 0.03 0.04 -0.00 0.01 0.01 0.08 -0.04 -0.00 0.00 -0.01 -0.01 -0.00 -0.01 -0.00 0.05 0.01 0.01 -0.02 0.02 0.00 -0.05 0.01 -0.01 0.01 -0.01 -0.00 -0.02 0.08 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 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.06 -0.17 0.00 0.41 0.08 -0.32 -0.24 -0.12 0.20 -0.06 0.02 -0.28 0.03 -0.03 0.09 0.00 0.01 0.02 0.05 0.00 0.01 -0.01 0.00 0.00 0.23 0.03 0.05 -0.18 -0.01 -0.03 -0.31 0.25 0.08 -0.25 0.25 0.07 0.09 -0.14 -0.05 0.01 0.00 0.01 0.00 0.01 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.01 0.01 -0.03 0.09 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.05 0.03 -0.03 -0.00 0.01 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.01 -0.09 -0.01 -0.01 0.00 -0.00 -0.00 -0.07 -0.09 -0.05 -0.05 0.10 0.03 0.03 -0.01 -0.00 0.06 -0.00 0.01 0.22 -0.06 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.17 -0.12 0.00 -0.07 -0.03 -0.02 -0.05 -0.04 0.01 0.08 0.04 0.02 0.06 0.06 -0.03 0.01 -0.00 0.01 0.00 0.03 0.00 -0.03 -0.01 0.04 -0.04 -0.00 0.02 -0.01 -0.01 0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 0.02 0.12 0.06 -0.45 -0.11 -0.11 -0.02 0.09 0.05 0.02 -0.01 -0.00 -0.01 0.02 0.01 -0.08 -0.04 -0.02 -0.10 -0.11 0.03 0.32 0.35 -0.15 0.47 0.18 0.16 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.02 0.01 0.01 -0.02 0.00 -0.00 -0.00 -0.00 -0.07 0.05 0.00 0.08 -0.03 -0.00 -0.07 -0.06 -0.04 -0.09 0.10 -0.03 -0.01 0.02 0.01 0.04 -0.05 0.01 0.01 -0.01 -0.01 0.12 -0.03 0.01 -0.00 -0.01 -0.00 0.03 -0.02 -0.01 0.02 -0.00 0.00 -0.03 0.03 0.01 -0.04 -0.01 -0.01 0.01 0.00 0.00 0.02 0.04 0.02 -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 -0.00 0.04 0.05 0.03 0.03 -0.05 0.01 0.14 0.05 -0.06 -0.03 -0.03 0.01 0.02 0.01 0.04 0.02 0.01 0.01 0.02 0.01 0.00 -0.02 0.00 0.00 -0.03 -0.01 -0.00 -0.26 -0.00 -0.04 -0.17 0.11 0.03 0.57 -0.37 -0.05 -0.21 0.48 0.19 0.01 0.00 0.00 0.00 0.01 -0.00 -0.01 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.04 0.03 0.01 -0.03 0.01 0.01 0.00 -0.00 0.13 0.04 0.02 -0.09 -0.01 -0.02 0.03 0.06 0.03 -0.10 0.18 -0.05 -0.01 0.02 0.01 -0.08 -0.03 0.02 0.01 -0.02 -0.03 0.16 -0.04 0.02 -0.00 -0.01 -0.00 0.04 -0.04 -0.01 0.02 -0.01 -0.00 -0.05 0.04 0.01 -0.05 -0.02 -0.02 0.01 0.01 0.01 0.01 -0.10 -0.04 0.01 -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 0.08 0.15 0.04 -0.31 -0.05 0.19 0.21 0.11 -0.15 -0.04 -0.06 0.11 0.01 0.03 0.00 0.01 0.01 0.02 0.01 0.02 0.00 -0.02 0.01 0.01 -0.10 -0.03 -0.02 -0.33 -0.00 -0.05 -0.19 0.11 0.02 -0.40 0.21 -0.01 0.17 -0.41 -0.16 0.01 -0.00 0.01 0.00 0.01 -0.00 0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.00 -0.02 0.22 0.05 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.04 -0.02 0.04 -0.02 -0.00 0.00 0.00 0.01 -0.01 -0.00 0.01 0.02 0.10 -0.00 0.01 0.01 -0.00 -0.01 -0.04 0.12 0.05 0.06 -0.07 -0.02 0.00 0.00 -0.00 -0.06 0.02 -0.00 -0.17 -0.00 -0.02 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.22 -0.14 -0.01 -0.05 -0.04 -0.00 -0.05 -0.05 0.01 0.06 0.00 0.04 0.04 0.06 -0.04 0.02 0.02 -0.01 -0.06 0.00 -0.02 0.02 0.01 -0.01 0.05 0.01 -0.04 -0.03 0.03 -0.19 0.05 -0.02 0.18 -0.00 0.01 0.01 0.04 -0.01 0.01 -0.00 -0.01 0.01 -0.35 -0.14 -0.14 0.53 0.09 0.13 -0.01 -0.06 -0.01 0.03 -0.03 -0.01 -0.01 0.02 0.01 0.06 0.00 0.08 0.02 0.09 -0.06 0.23 0.21 -0.07 0.28 0.13 0.07 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.03 0.04 0.04 0.02 0.01 0.00 -0.03 -0.02 -0.02 0.01 0.01 0.01 0.01 -0.00 -0.00 -0.01 -0.00 -0.06 0.07 -0.01 -0.00 0.01 0.01 0.02 0.01 -0.04 -0.04 0.02 -0.01 0.01 -0.03 0.01 0.03 -0.00 0.01 0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.02 -0.00 -0.00 -0.01 0.02 0.01 0.01 0.00 0.00 -0.02 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.00 0.01 -0.00 0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.22 -0.14 0.08 0.03 0.02 -0.05 -0.04 -0.05 0.06 0.11 -0.08 0.66 -0.18 0.08 -0.59 -0.00 -0.03 -0.04 -0.16 0.04 -0.03 0.03 0.01 -0.04 -0.04 -0.02 0.00 0.06 0.01 0.01 -0.03 0.02 0.00 -0.02 0.03 0.01 0.01 -0.01 0.00 0.01 0.00 0.01 0.00 0.01 -0.01 0.02 0.02 -0.01 0.03 0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.09 -0.01 -0.00 0.01 0.00 0.01 0.01 -0.00 -0.00 -0.00 0.01 0.00 0.03 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.07 -0.07 -0.04 0.00 0.00 0.00 0.09 -0.03 0.00 0.00 -0.01 -0.01 -0.01 0.02 0.01 -0.03 0.04 0.01 -0.11 0.10 0.02 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.03 -0.03 0.02 -0.01 -0.00 -0.00 -0.01 -0.01 -0.00 0.01 0.00 0.00 -0.00 0.01 -0.01 0.01 0.01 0.00 0.01 0.05 -0.00 -0.01 -0.01 0.02 -0.05 0.01 0.02 0.01 0.00 0.02 -0.00 0.01 -0.01 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.00 0.72 0.11 0.16 -0.49 -0.06 -0.09 0.24 -0.24 -0.07 0.00 -0.01 -0.00 -0.03 0.03 0.01 -0.05 -0.01 -0.01 0.03 0.07 -0.03 -0.00 -0.01 0.01 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 0.01 0.00 -0.00 -0.09 0.03 -0.00 -0.18 0.03 -0.02 -0.08 -0.15 -0.08 0.01 -0.01 0.01 -0.00 -0.01 -0.00 0.04 -0.01 0.01 0.00 0.00 0.00 -0.00 0.03 0.01 0.00 0.00 -0.00 0.01 -0.02 -0.00 -0.02 -0.01 -0.01 -0.02 -0.01 -0.01 0.01 -0.01 -0.00 -0.00 0.03 0.01 0.05 0.04 0.03 0.22 0.14 0.10 0.01 -0.02 0.03 -0.02 -0.00 -0.01 0.01 0.01 -0.01 0.01 0.02 -0.01 -0.02 -0.00 -0.02 0.01 -0.01 0.02 -0.01 0.05 -0.01 0.05 -0.01 -0.02 0.20 -0.02 -0.07 0.01 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 0.00 0.05 -0.00 0.01 -0.02 -0.01 -0.01 0.03 -0.03 -0.01 0.27 -0.12 0.01 0.55 -0.59 -0.17 -0.02 -0.00 -0.01 0.01 0.02 -0.02 -0.01 -0.01 0.00 0.03 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.03 0.01 -0.00 -0.00 0.04 0.01 -0.00 0.00 -0.02 -0.01 0.06 0.00 0.01 0.03 0.04 0.02 -0.02 -0.05 0.01 0.03 0.04 0.02 0.00 0.02 -0.00 -0.01 -0.00 0.02 0.10 0.24 0.11 -0.01 -0.02 -0.00 0.06 -0.12 -0.04 -0.13 -0.08 -0.06 -0.15 -0.06 -0.05 0.06 -0.12 -0.04 0.03 0.19 0.08 -0.03 -0.01 -0.01 -0.06 -0.04 -0.03 0.08 -0.19 0.27 -0.17 -0.01 -0.12 0.07 0.14 -0.11 0.09 0.17 -0.12 -0.18 -0.01 -0.13 0.10 -0.14 0.24 -0.05 -0.41 0.02 -0.01 0.02 -0.03 -0.01 -0.03 0.02 -0.01 0.01 -0.09 -0.03 -0.04 -0.04 0.03 0.01 0.03 0.00 0.05 -0.00 -0.03 0.01 -0.02 -0.11 -0.09 -0.04 0.07 -0.02 -0.01 -0.06 -0.01 -0.02 -0.09 0.04 0.00 -0.15 0.16 0.05 -0.12 0.00 -0.11 0.04 0.11 -0.10 -0.09 -0.07 0.00 0.16 0.10 0.03 -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 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.03 -0.01 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.03 -0.09 -0.04 0.01 0.01 0.00 -0.02 0.05 0.02 0.05 0.02 0.02 0.05 0.02 0.01 -0.03 0.04 0.01 -0.02 -0.06 -0.03 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.08 -0.02 -0.05 0.05 0.07 -0.04 0.00 0.03 -0.03 -0.03 0.00 -0.03 0.06 -0.09 0.15 0.03 0.22 -0.01 0.00 -0.00 -0.00 0.01 0.01 -0.01 0.01 -0.00 0.03 0.01 0.02 -0.00 -0.02 -0.01 -0.02 -0.01 -0.03 0.00 0.02 -0.01 0.01 0.05 0.02 0.02 0.00 0.01 0.01 0.02 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.36 0.10 0.16 -0.26 -0.32 0.19 0.25 0.36 -0.22 -0.43 -0.11 -0.21 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.04 -0.01 -0.00 0.00 -0.02 0.02 -0.01 -0.02 -0.01 -0.01 0.01 0.01 0.00 0.01 0.00 0.00 -0.01 0.00 -0.01 -0.03 -0.08 -0.03 -0.00 -0.00 0.01 0.02 0.02 -0.00 -0.02 -0.09 -0.04 0.02 0.03 0.00 -0.05 0.06 0.02 0.06 0.03 0.02 0.06 0.01 0.01 -0.03 0.04 0.01 -0.00 -0.08 -0.03 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.06 -0.07 0.11 -0.01 0.01 -0.01 0.01 0.02 -0.02 0.03 0.06 -0.04 -0.07 -0.02 -0.03 -0.00 -0.01 0.00 0.04 0.58 -0.05 -0.00 0.01 -0.03 0.10 0.00 -0.04 0.01 0.01 0.02 0.01 0.05 -0.06 -0.06 -0.03 -0.06 -0.02 -0.09 0.00 0.04 -0.01 0.03 -0.05 0.01 -0.00 0.06 0.01 0.02 -0.01 0.02 0.01 -0.03 0.01 0.00 -0.01 0.01 0.01 -0.30 -0.07 -0.16 0.17 0.23 -0.14 -0.24 -0.31 0.16 0.33 0.09 0.15 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.05 -0.01 -0.01 0.00 0.02 -0.01 0.00 -0.06 -0.04 -0.03 0.03 0.02 0.01 0.05 0.01 0.01 -0.01 -0.04 -0.02 -0.04 -0.12 -0.04 0.01 0.01 0.03 0.04 0.04 0.01 0.02 0.09 0.04 0.02 0.04 0.00 0.04 -0.05 -0.02 -0.06 -0.02 -0.02 -0.06 -0.02 -0.02 0.04 -0.05 -0.01 0.01 0.07 0.03 -0.04 0.01 -0.00 0.00 -0.01 -0.01 -0.03 0.03 -0.05 0.01 -0.00 0.01 -0.01 -0.02 0.01 -0.02 -0.03 0.02 0.04 0.01 0.02 -0.00 0.01 -0.02 0.01 0.79 -0.10 -0.05 0.03 -0.07 0.29 -0.03 -0.11 -0.00 0.03 -0.06 -0.02 0.05 -0.19 -0.10 -0.04 -0.10 -0.03 -0.14 0.00 0.06 -0.02 0.04 0.02 -0.02 0.00 0.01 -0.00 -0.00 -0.03 0.01 0.00 -0.07 0.02 0.00 -0.02 0.03 0.01 0.11 0.03 0.06 -0.06 -0.07 0.04 0.10 0.12 -0.06 -0.11 -0.03 -0.05 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.02 0.01 0.01 -0.01 -0.00 -0.00 -0.00 -0.16 -0.03 -0.05 0.02 0.05 0.02 0.13 0.01 0.02 0.04 0.04 0.03 0.02 0.05 0.03 0.04 -0.01 0.03 -0.03 -0.03 -0.04 -0.02 -0.02 -0.01 -0.01 -0.02 -0.01 -0.01 0.01 0.00 0.01 0.00 0.00 0.03 0.00 0.00 -0.02 0.02 0.01 -0.00 -0.01 -0.00 -0.12 -0.00 -0.02 0.04 -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 -0.05 -0.27 0.03 -0.32 -0.01 0.09 0.68 -0.00 -0.28 0.06 -0.01 0.16 0.08 -0.01 0.34 0.04 0.04 0.07 0.04 0.07 0.00 -0.03 -0.01 -0.00 0.03 0.01 0.01 -0.04 -0.01 -0.01 0.05 -0.05 -0.01 -0.11 -0.02 -0.03 0.03 0.03 0.02 -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 -0.00 -0.00 -0.00 0.01 0.01 0.01 0.02 0.03 0.00 0.00 0.00 0.00 0.01 -0.02 -0.00 0.01 -0.01 -0.00 -0.03 -0.00 -0.01 -0.02 -0.04 -0.02 -0.05 -0.03 0.01 0.02 0.02 -0.01 -0.03 -0.03 -0.12 0.00 0.01 0.01 -0.03 0.01 0.01 0.01 -0.01 -0.00 -0.01 0.00 -0.00 -0.02 -0.00 -0.00 0.02 -0.01 -0.00 -0.00 0.01 0.00 0.03 0.01 0.01 -0.02 0.02 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.29 0.16 0.15 -0.05 0.01 0.03 -0.17 -0.06 0.10 0.18 0.01 0.42 0.20 0.11 0.68 0.15 0.01 -0.03 0.08 -0.06 0.06 0.14 -0.09 0.01 0.01 0.01 -0.00 0.04 0.01 0.01 -0.04 0.04 0.01 -0.02 0.06 0.03 0.00 -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 0.01 0.01 -0.00 -0.00 -0.02 -0.00 -0.00 -0.00 -0.00 -0.03 0.05 0.03 -0.06 0.04 0.01 0.08 0.00 0.02 -0.03 0.01 0.02 -0.10 0.00 -0.06 0.10 -0.00 -0.06 0.04 0.01 0.03 0.01 -0.00 -0.00 -0.02 0.01 0.05 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.10 -0.03 -0.03 0.08 -0.07 -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 0.56 -0.10 0.26 -0.18 -0.05 0.26 -0.38 -0.12 0.21 -0.09 -0.01 -0.24 -0.02 0.05 -0.13 0.16 -0.07 -0.12 0.02 -0.04 0.07 0.19 -0.03 -0.09 -0.01 0.00 -0.01 -0.01 -0.00 -0.00 -0.01 0.01 0.00 0.06 -0.15 -0.06 0.02 0.11 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 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.04 -0.03 0.06 -0.03 -0.01 -0.05 -0.00 -0.01 0.04 0.00 0.03 -0.09 0.02 -0.06 -0.07 -0.00 0.04 0.04 0.01 0.03 -0.01 0.00 -0.00 -0.03 0.01 0.04 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 0.07 0.02 0.02 -0.07 0.06 0.02 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.54 -0.22 0.27 0.05 0.03 -0.16 0.42 0.12 -0.23 -0.08 -0.01 -0.23 -0.02 0.06 -0.13 0.21 -0.06 -0.11 0.07 -0.03 0.09 0.22 -0.05 -0.11 0.01 -0.00 0.00 -0.02 -0.01 -0.01 0.04 -0.04 -0.01 -0.08 0.14 0.04 -0.01 -0.11 -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 0.01 0.01 0.00 0.00 0.00 0.09 0.05 0.02 -0.09 0.06 0.01 0.03 0.01 0.01 0.04 -0.02 -0.03 -0.01 -0.00 -0.00 -0.13 -0.03 0.06 -0.01 -0.01 -0.03 -0.01 0.00 -0.00 -0.02 0.00 0.00 0.01 -0.00 0.00 -0.01 0.01 0.00 -0.02 0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.10 -0.02 -0.02 0.08 -0.09 -0.03 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.10 -0.01 0.06 0.68 0.04 -0.41 0.19 0.15 -0.14 0.05 0.00 0.09 0.04 0.05 0.13 0.08 0.01 -0.01 0.05 -0.01 0.03 0.08 -0.05 -0.01 0.02 0.01 0.01 0.04 0.01 0.01 -0.02 0.03 0.01 0.18 -0.22 -0.07 -0.04 0.23 0.10 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -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 0.02 0.01 0.00 -0.00 -0.01 0.00 0.02 0.00 0.00 0.00 -0.14 0.03 -0.04 -0.01 0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.26 0.07 -0.15 -0.04 -0.00 0.03 -0.03 -0.02 0.02 0.02 0.03 -0.03 -0.06 -0.03 -0.14 0.53 0.15 0.02 0.44 -0.10 0.24 0.40 -0.35 0.05 -0.01 -0.01 -0.00 -0.02 -0.01 -0.01 0.02 -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 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 -0.00 -0.00 0.03 0.02 0.02 -0.02 0.01 0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 0.03 0.03 0.02 0.01 0.01 -0.00 0.01 -0.01 0.00 0.00 0.00 0.02 -0.07 -0.08 -0.04 -0.01 -0.00 -0.00 0.19 -0.02 0.02 -0.09 0.08 0.02 -0.16 0.08 0.01 0.16 -0.04 0.01 -0.08 -0.12 -0.06 0.01 -0.01 -0.00 -0.01 0.01 0.00 -0.02 0.02 -0.06 -0.08 -0.06 0.01 0.08 0.04 0.02 0.09 0.05 0.01 -0.08 -0.06 0.01 -0.02 0.03 -0.05 -0.02 -0.05 -0.01 -0.08 -0.01 0.00 0.05 0.06 -0.04 -0.03 -0.01 -0.06 -0.02 -0.03 -0.08 0.06 0.01 0.01 0.04 0.01 0.02 0.04 -0.03 -0.01 0.14 0.13 0.08 0.36 0.19 0.13 -0.31 0.45 0.15 -0.03 0.02 0.00 0.01 -0.03 -0.01 0.19 0.00 0.14 -0.06 -0.15 0.13 -0.07 -0.17 0.14 0.21 0.02 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 -0.00 -0.03 0.01 0.01 -0.01 -0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.02 -0.02 -0.01 -0.00 -0.01 0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.01 0.04 0.05 0.03 0.00 0.00 0.00 -0.09 0.00 -0.01 0.04 -0.05 -0.02 0.09 -0.04 -0.00 -0.09 0.03 -0.00 0.04 0.07 0.03 -0.00 0.01 0.00 0.00 -0.01 -0.00 -0.04 0.07 -0.10 -0.13 -0.10 0.01 0.14 0.08 0.02 0.14 0.06 0.03 -0.11 -0.10 0.03 -0.04 0.07 -0.11 0.00 0.03 0.00 0.04 0.01 0.01 -0.01 -0.05 0.02 0.02 0.01 0.03 0.01 0.02 0.04 -0.02 -0.01 -0.00 -0.01 -0.01 -0.01 -0.01 0.01 0.01 -0.04 -0.07 -0.04 -0.21 -0.10 -0.07 0.18 -0.25 -0.09 0.02 -0.01 0.00 -0.01 0.02 0.01 0.34 0.01 0.25 -0.14 -0.30 0.25 -0.11 -0.27 0.23 0.29 -0.01 0.24 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 -0.13 0.16 0.06 0.04 -0.06 -0.02 0.05 0.02 0.02 0.00 -0.02 -0.00 0.00 -0.00 0.00 0.07 -0.09 0.03 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.01 0.00 0.00 0.01 0.01 0.01 0.03 -0.12 -0.05 -0.03 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 0.02 -0.00 0.05 0.02 -0.60 -0.27 0.61 0.03 0.02 0.01 0.02 0.00 0.02 0.02 0.02 0.01 0.01 -0.01 -0.02 -0.00 0.00 -0.02 0.03 0.02 -0.01 0.00 0.00 -0.01 -0.00 0.03 -0.04 -0.01 -0.22 0.04 -0.02 0.05 -0.17 -0.07 0.01 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.07 0.10 0.03 0.05 -0.04 -0.01 0.03 0.01 0.01 0.01 0.00 -0.02 -0.00 -0.00 -0.00 -0.04 0.01 -0.03 -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 0.01 -0.07 -0.03 -0.04 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 0.02 0.01 0.01 0.61 -0.08 0.43 0.14 -0.58 0.01 0.02 0.01 -0.00 -0.00 0.02 0.00 0.01 0.05 0.07 -0.04 0.03 -0.02 0.02 -0.05 0.05 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.12 0.01 -0.02 0.03 -0.13 -0.05 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -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 0.00 -0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 -0.00 -0.00 0.01 -0.03 -0.03 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.12 0.03 0.03 -0.06 0.01 -0.03 -0.01 0.04 0.00 0.08 0.04 -0.07 -0.02 0.11 -0.03 0.01 0.36 0.58 -0.28 0.38 -0.21 0.18 -0.32 0.29 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 0.02 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 -0.03 0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 -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 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.05 0.07 -0.02 0.01 -0.00 0.00 -0.01 -0.00 0.01 0.09 0.05 -0.02 -0.01 0.10 0.00 -0.35 -0.04 0.07 0.33 0.56 0.09 0.30 0.13 -0.54 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 -0.04 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.01 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 0.13 -0.10 -0.02 -0.00 0.00 0.00 -0.03 0.13 0.05 -0.15 -0.03 -0.04 -0.13 -0.07 -0.05 -0.02 0.07 0.03 0.16 -0.01 0.02 0.01 0.00 0.00 0.00 -0.01 -0.00 0.05 0.03 0.00 -0.04 0.00 -0.04 -0.02 -0.04 0.04 -0.02 -0.04 0.04 -0.04 0.00 -0.03 0.04 0.03 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.04 0.01 -0.03 0.00 -0.04 -0.02 0.02 0.01 -0.05 -0.01 0.00 -0.01 -0.01 0.01 -0.01 0.01 -0.00 0.01 -0.01 0.53 0.08 0.12 0.45 0.03 0.07 0.33 -0.26 -0.07 -0.00 0.01 0.00 -0.01 0.02 0.01 0.17 0.06 0.06 0.13 0.14 -0.07 0.13 0.14 -0.06 0.18 0.06 0.07 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 0.01 0.01 0.00 -0.00 -0.00 -0.03 -0.08 0.02 0.01 -0.01 -0.00 0.01 0.01 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.05 -0.03 -0.01 -0.02 -0.00 0.01 0.00 -0.00 -0.00 0.58 0.27 -0.24 -0.12 0.68 -0.05 0.03 -0.05 -0.09 -0.01 -0.14 0.01 -0.10 0.04 0.04 0.02 0.00 0.01 0.02 0.00 0.00 0.01 -0.01 -0.00 0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01 -0.01 0.00 -0.01 -0.01 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 -0.00 0.01 0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.06 -0.03 -0.01 -0.00 -0.00 0.00 -0.02 0.05 0.02 -0.07 -0.01 -0.02 -0.04 -0.02 -0.02 0.00 0.02 0.01 0.06 -0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.11 -0.08 0.00 0.08 -0.01 0.07 0.02 0.08 -0.08 0.06 0.11 -0.08 0.13 0.01 0.09 -0.11 -0.06 -0.01 0.00 0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.07 -0.03 0.03 0.01 -0.08 0.00 -0.00 0.00 0.01 0.00 0.01 0.00 0.01 -0.00 -0.01 0.22 0.03 0.05 0.15 0.01 0.02 0.11 -0.08 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.34 -0.13 -0.11 -0.28 -0.29 0.13 -0.28 -0.33 0.16 -0.43 -0.15 -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 -0.14 0.03 -0.01 -0.07 0.11 0.04 -0.18 0.08 0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 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 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.30 -0.11 -0.00 0.16 -0.22 -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 -0.01 0.00 -0.01 0.05 -0.00 0.08 0.15 -0.11 -0.03 0.02 0.01 -0.01 -0.00 0.01 -0.00 0.02 -0.01 -0.02 0.01 -0.03 0.01 -0.01 -0.00 0.01 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.01 0.00 -0.41 0.41 0.11 -0.14 0.52 0.22 -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 -0.01 -0.00 -0.01 0.00 -0.00 0.01 -0.03 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 0.04 0.01 0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.01 -0.08 -0.28 -0.13 -0.00 -0.00 -0.00 -0.09 0.21 0.07 0.10 0.16 0.09 -0.04 -0.17 -0.08 0.11 -0.31 -0.12 0.04 0.39 0.17 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.03 0.07 -0.03 0.01 -0.04 0.01 0.05 -0.05 -0.01 -0.05 0.05 0.03 -0.02 0.05 -0.02 0.05 -0.07 -0.01 -0.01 -0.00 -0.02 -0.01 0.03 0.02 0.01 -0.01 0.02 0.01 -0.02 -0.01 0.03 -0.02 0.01 -0.00 -0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 -0.32 0.10 -0.01 0.07 -0.17 -0.06 -0.44 0.21 0.03 0.00 0.00 -0.00 0.00 0.00 0.00 0.06 0.04 0.00 -0.09 -0.07 0.02 0.07 0.05 -0.00 -0.06 -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 0.03 -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 0.06 0.03 0.00 0.00 0.00 0.04 -0.05 -0.02 -0.00 -0.03 -0.01 -0.01 0.04 0.02 -0.04 0.07 0.03 -0.00 -0.10 -0.04 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.09 -0.22 0.31 -0.08 0.09 -0.17 0.07 0.22 -0.20 -0.08 -0.22 0.19 0.08 -0.08 0.16 -0.07 0.19 -0.28 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.04 -0.03 -0.01 0.02 0.05 0.02 0.08 -0.04 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.15 0.16 -0.08 -0.29 -0.24 0.04 0.30 0.26 -0.06 -0.17 -0.16 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 0.01 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 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.12 -0.01 0.01 -0.00 0.00 -0.00 -0.13 0.06 0.01 -0.20 -0.00 -0.03 0.18 0.01 0.03 0.15 -0.06 -0.01 -0.09 -0.01 -0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.16 -0.05 -0.06 0.26 0.09 0.09 0.19 0.15 -0.03 -0.17 -0.13 0.02 -0.24 -0.10 -0.08 0.12 0.04 0.04 -0.00 0.00 0.00 0.01 0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.00 0.01 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.25 0.08 0.07 -0.19 -0.06 -0.05 -0.08 0.18 0.07 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.31 -0.05 -0.17 -0.10 -0.23 0.19 0.05 0.18 -0.16 0.27 0.04 0.17 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.16 0.00 0.02 -0.00 0.00 -0.00 -0.18 0.07 0.00 -0.28 -0.01 -0.05 0.28 0.03 0.06 0.22 -0.09 -0.01 -0.20 -0.03 -0.04 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.15 0.04 0.06 -0.19 -0.06 -0.08 -0.13 -0.10 0.01 0.10 0.07 0.00 0.15 0.06 0.05 -0.07 -0.01 -0.04 0.00 0.00 0.00 0.02 0.00 -0.02 -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 0.00 0.00 -0.00 0.00 0.32 0.10 0.10 -0.33 -0.08 -0.08 -0.12 0.27 0.10 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.25 0.06 0.12 0.07 0.17 -0.14 -0.00 -0.08 0.09 -0.16 -0.03 -0.10 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 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 -0.02 -0.00 -0.00 -0.00 -0.06 -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 -0.11 0.02 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 -0.13 0.22 0.03 0.88 0.09 -0.28 0.00 0.00 -0.00 0.01 -0.00 -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 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 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 0.04 -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 -0.08 0.01 0.17 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.04 -0.00 -0.03 -0.00 0.01 -0.08 0.63 -0.40 -0.17 0.05 0.40 -0.21 -0.35 -0.21 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.03 -0.01 -0.07 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.40 0.08 0.83 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.05 -0.10 -0.01 -0.22 -0.02 0.07 0.01 -0.07 0.05 0.09 -0.03 -0.20 0.03 0.05 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 0.00 -0.00 -0.00 -0.03 0.02 -0.06 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.36 -0.07 0.40 0.18 0.82 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.01 0.01 0.00 0.00 0.00 0.00 -0.03 -0.07 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 0.04 -0.01 -0.09 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.07 -0.14 -0.02 0.06 0.01 -0.02 -0.08 0.52 -0.33 0.19 -0.07 -0.41 0.28 0.44 0.29 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -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 -0.02 0.00 -0.00 0.00 -0.00 -0.01 0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.41 0.84 0.11 -0.23 -0.04 0.07 -0.02 0.11 -0.07 0.06 -0.02 -0.14 0.01 0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -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 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 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 0.11 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.04 0.09 0.01 -0.03 -0.00 0.01 0.01 -0.05 0.01 -0.31 0.08 0.66 0.31 0.49 0.30 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.08 -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 0.01 0.92 0.15 0.15 0.06 0.31 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 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 0.01 -0.05 -0.01 0.00 -0.01 -0.00 -0.03 0.03 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -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 0.02 0.02 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.10 -0.10 0.57 -0.11 0.59 0.08 -0.02 0.08 0.07 0.36 -0.37 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.05 -0.05 -0.01 0.00 -0.01 0.04 -0.01 0.04 -0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.01 -0.00 0.00 0.00 0.01 0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.11 -0.53 0.54 0.11 -0.02 0.11 -0.42 0.09 -0.43 0.01 0.06 -0.07 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.06 -0.02 0.00 -0.00 -0.00 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 -0.18 0.70 0.28 -0.01 0.04 0.02 -0.43 -0.37 -0.23 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.02 -0.00 0.03 -0.01 0.00 -0.01 0.00 0.02 -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 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 -0.03 0.00 -0.03 -0.01 0.00 -0.01 0.01 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 -0.01 0.02 0.01 -0.00 0.00 0.00 0.02 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 -0.11 0.10 0.36 -0.06 0.37 0.14 -0.03 0.14 -0.12 -0.56 0.57 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.04 -0.04 0.01 -0.00 0.01 -0.05 0.01 -0.05 -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 0.01 -0.04 -0.02 -0.00 0.00 0.00 -0.04 -0.03 -0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.09 -0.42 0.42 -0.09 0.02 -0.10 0.52 -0.10 0.53 0.03 0.14 -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 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.05 -0.02 0.00 -0.00 -0.00 -0.05 -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 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.15 0.55 0.22 -0.01 0.04 0.01 0.55 0.47 0.29 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.02 0.02 -0.02 0.00 -0.03 0.03 -0.01 0.03 0.01 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.06 -0.02 -0.23 0.90 0.35 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 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 -0.08 -0.02 -0.02 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.07 0.09 0.05 0.91 0.28 0.27 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.05 -0.06 -0.04 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.57 0.70 0.40 -0.11 -0.03 -0.03 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 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 0.99995 -0.00877 0.00375 0.00897 0.99827 -0.05804 -0.00324 0.05807 0.99831 asymmetric 1 0.02041 0.00294 0.00280 0.42536 0.06132 0.05841 877501.2 11.95 32.42 46.29 47.43 70.26 88.53 113.14 133.90 137.98 155.32 183.51 235.13 244.59 264.98 268.11 332.91 362.30 370.04 400.57 439.62 462.00 497.25 517.00 539.45 560.07 587.26 603.37 613.54 618.66 676.11 699.88 749.64 770.12 842.16 910.60 924.47 937.25 966.35 980.15 997.02 1013.26 1044.88 1056.11 1062.79 1095.72 1157.35 1180.12 1187.59 1198.50 1217.64 1235.95 1237.08 1257.60 1278.43 1289.85 1330.99 1364.68 1371.50 1379.42 1400.17 1403.23 1416.55 1430.13 1471.68 1481.57 1483.53 1529.54 1541.77 1559.66 1581.13 1616.24 1624.72 1665.57 1668.82 1680.75 1711.43 1718.19 1741.17 1750.56 1759.19 1774.06 1807.87 1809.77 1863.02 1878.56 1880.74 1894.53 1902.58 1909.40 1942.81 1975.49 1997.44 2002.90 2009.60 2040.64 2052.31 2064.62 2088.80 2124.80 2142.61 2155.19 2167.02 2180.44 2183.81 2214.79 2300.33 2331.62 2339.31 2365.03 4336.40 4361.75 4382.12 4430.98 4463.78 4476.42 4495.36 4552.24 4586.51 4592.46 4593.42 4608.90 4613.02 4613.98 4619.16 4670.82 4694.51 0.334223 0.357530 0.358475 0.277325 -2044.607797 -2044.584490 -2044.583545 -2044.664695 224.354 89.097 170.794 0.000 0.000 0.000 0.889 2.981 43.888 0.889 2.981 36.599 222.576 83.135 90.307 1 0.593 1.987 8.381 2 0.593 1.985 6.398 3 0.594 1.983 5.691 4 0.594 1.983 5.643 5 0.595 1.978 4.864 6 0.597 1.973 4.407 7 0.600 1.964 3.925 8 0.602 1.954 3.595 9 0.603 1.952 3.536 10 0.606 1.943 3.305 11 0.611 1.926 2.983 12 0.623 1.887 2.510 13 0.625 1.879 2.435 14 0.631 1.861 2.286 15 0.632 1.859 2.264 16 0.653 1.793 1.868 17 0.664 1.760 1.718 18 0.667 1.751 1.681 19 0.679 1.713 1.543 20 0.696 1.663 1.386 21 0.707 1.633 1.304 22 0.724 1.584 1.186 23 0.734 1.556 1.125 24 0.746 1.523 1.060 25 0.757 1.493 1.003 26 0.773 1.452 0.933 27 0.782 1.428 0.894 28 0.788 1.413 0.870 29 0.791 1.405 0.859 30 0.827 1.317 0.738 31 0.842 1.280 0.693 32 0.876 1.203 0.608 33 0.890 1.172 0.576 34 0.942 1.063 0.476 0.148280e+27 26.171082 60.261143 0.208112e+11 10.318297 23.758758 0.100000e+01 0.000000 0.000000 0.320435e+09 8.505740 19.585191 0.222354e+08 7.347044 16.917194 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -2044.9420198 6.787E-9 8.04E-6 0.3342225 0.3575303 -2044.5844895 -2044.5835453 -2044.6646949 -12.701305,7.776789,4.924516,15.5385503,3.5579105,4.7428223 C01 [X(C19H17Cl2N3O3)] -1.2434214 0.7019776 0.6997651 -0.4471385 0.0080277 0.3472941 -0.0031139 -0.0693111 0.0641873 0.3920849 0.0362592 -0.4124136 -0.6557186 0.1910208 0.317521 0.2077879 -0.1490162 -0.1238984 0.416856 -0.1492503 -0.2976294 -1.0221395 -0.2824661 -0.2595445 -0.4491484 -0.7505831 -0.202068 -0.3260415 -0.2339034 -0.6044032 -0.6680411 -0.0538701 -0.1151302 -0.0617875 -0.7255531 -0.2397522 -0.1958613 -0.1677108 -0.7751444 -2.8277071 0.6078718 0.2388161 0.3319595 -0.2671877 -0.071765 0.2520918 -0.1103279 -0.4991767 -0.7340618 0.22063 -0.2288173 0.1898691 -0.185462 0.017771 -0.168364 0.0405796 -0.1041947 0.0134563 -0.0738753 0.0356961 0.0889228 -0.2373681 0.0533857 -0.2594066 0.1543468 -0.4650374 -0.8060567 0.1872106 -0.0558807 0.0683451 -0.3602201 0.0652914 0.0060308 0.0254147 -0.4195774 1.324776 0.0540231 0.3171551 0.103658 0.7866915 0.1034192 0.2936764 0.0730011 0.7796078 0.5476155 0.126679 0.1711092 0.2504209 0.4960443 0.1224315 0.3986247 0.2864305 0.4211162 0.5595633 -0.1369875 0.0829253 -0.1734401 0.1899073 -0.0626099 0.1017864 -0.0752701 0.0869584 0.3079798 0.0085511 0.1102226 0.0327086 0.5288645 0.2871053 0.0357061 0.1033772 0.2997084 -0.438496 0.0155057 0.1006363 0.0956182 -0.1729628 0.0436866 0.097283 -0.00327 -0.3313439 -0.1125145 0.0030817 -0.0469865 0.0228887 0.0545176 0.0481167 -0.0336897 0.0180374 0.0615401 0.7737577 -0.0345561 -0.4970345 0.0020366 -0.0060346 -0.1028804 -0.3979355 -0.0910544 0.6872865 0.2802727 -0.0362262 -0.1022163 -0.0174567 -0.0863915 -0.0099512 -0.0539576 -0.025816 0.002096 -0.6739821 0.1007202 0.0842009 0.0712356 -0.1217817 -0.0149083 0.2032748 -0.0387829 -0.0712802 -0.4138318 0.0680698 0.0130637 0.1107343 -0.1406037 0.0021005 -0.4014183 0.0729778 -0.1141087 2.1782838 -0.4562681 0.046045 -0.1805921 0.1258473 -0.0892154 0.5763083 -0.1841777 0.2290527 0.5679765 -0.1891937 0.204186 -0.1904555 0.1366927 -0.0672837 0.3896248 -0.2143159 0.2517298 0.2809643 0.0204074 -0.135678 0.0208264 0.008947 -0.1054112 -0.18938 -0.0311698 0.3828719 1.4902482 -0.3473478 -0.3888269 -0.3313034 0.2121323 0.1463927 -1.0473619 0.2978511 0.3202374 -0.2461987 0.0853629 0.0411216 0.0368268 -0.0277564 0.0784378 0.022079 0.0459691 -0.0312671 -0.1591458 0.042177 -0.020775 0.1773433 -0.0984511 -0.0248248 0.2001351 -0.0149489 -0.1059877 -0.1037447 0.0967466 0.0515661 0.1513671 -0.0541421 -0.0099462 0.0805587 0.007315 -0.1323725 -0.1286613 0.0751983 0.0638972 0.0541065 -0.0007355 0.0584451 0.0339892 0.0505383 -0.0840606 0.8051469 -0.294807 -0.5210926 -0.3439281 0.0886122 0.1985187 -0.60784 0.2132864 0.3505347 -0.0103763 0.0521714 -0.0210055 -0.002879 -0.1687842 -0.0102047 -0.0210489 0.0267177 0.0292001 0.0528428 0.0184173 0.0238563 -0.0359625 0.0939299 -0.0072006 -0.0330555 -0.0127705 0.0183665 -0.0766566 -0.0016673 -0.007813 -0.0686048 -0.0019787 0.0029708 0.0165167 0.068637 0.0547689 0.0249739 -0.0029137 -0.1035653 0.0085643 0.0474768 0.0243433 -0.0666897 -0.0277857 -0.0710494 -0.1264463 0.0956338 0.0507819 0.0676159 -0.0707019 -0.0398193 0.0205038 0.0033786 0.0425702 0.0100166 -0.0142831 -0.0272851 -0.0483422 -0.0261011 -0.1069302 -0.0844317 -0.1150123 -0.0488517 0.0198544 -0.014927 0.00804 0.029899 -0.0329588 0.0554169 -0.0013092 0.0543885 0.0475338 -0.0119605 -0.0194077 0.0347439 -0.0002689 0.0781536 0.0190929 0.0932381 0.0435223 -0.0328415 0.1280857 0.0134731 0.0204751 0.0219817 0.0984953 0.0232598 -0.0020633 0.0286863 -0.0077931 0.0861616 0.0031203 -0.0165407 0.0066971 0.1302927 0.0293121 -0.0284479 0.0322492 0.0280528 0.0083874 -0.0110819 0.035011 -0.0521764 0.1352379 0.0123807 0.099505 -0.0025574 0.0340149 0.0461977 -0.0129258 0.0318436 -0.0204248 0.1691361 -0.0040672 0.0522717 0.0007893 0.07111 -0.0097291 0.0113107 0.0386787 -0.0071645 0.14047 0.0150915 0.0299438 0.0193957 0.0660827 0.1070238 -0.006093 0.0286633 -0.0055963 0.0286703 -0.0751281 0.0320068 -0.0797628 0.0670977 -0.0056535 -0.0584463 0.0273133 -0.1094812 0.0961754 -0.0141068 0.0249228 -0.0244771 0.08779 -0.0081646 -0.0512524 0.0117841 -0.0532361 0.0795943 -0.0185563 0.0295198 -0.0240713 0.1129407 0.0728405 -0.0068138 0.0115446 0.003949 0.0281965 -0.0706299 0.0197642 -0.0767137 0.0762649 391.9402623|-32.6691332|207.8797945|-21.0552459|12.2448443|242.8972945 -0.000001884 0.000001852 -0.000003571 -0.000000288 0.000000322 0.000000819 0.000023082 0.000017576 0.000007110 0.000004409 -0.000003000 -0.000019191 -0.000001648 0.000002408 0.000002544 0.000011444 -0.000004951 -0.000010649 -0.000005208 -0.000013835 0.000024377 -0.000013001 -0.000005546 -0.000027786 -0.000027854 -0.000026582 0.000014633 -0.000007895 -0.000011386 -0.000014646 -0.000007039 0.000003908 0.000006247 -0.000004474 0.000017495 0.000014505 0.000010932 0.000004626 -0.000007985 0.000009137 0.000003441 0.000008331 -0.000006544 -0.000000920 0.000015123 -0.000009825 0.000001007 -0.000004941 0.000006039 -0.000001231 -0.000008210 0.000001740 0.000007745 -0.000002431 0.000005314 -0.000007539 0.000009466 0.000008844 0.000013463 0.000000514 0.000006711 0.000011496 0.000009284 -0.000001670 0.000003801 -0.000000184 0.000004539 0.000001034 -0.000003351 -0.000002749 -0.000001865 0.000005117 -0.000003941 0.000008157 0.000007828 0.000000800 -0.000002692 -0.000000545 0.000006760 -0.000009653 -0.000011513 -0.000002454 -0.000001522 0.000004287 0.000003063 0.000004432 0.000002736 -0.000000471 0.000002217 -0.000000145 0.000002646 -0.000003633 -0.000003946 0.000003208 -0.000004588 -0.000002388 -0.000001999 -0.000003669 -0.000003974 -0.000003188 -0.000000088 -0.000001696 -0.000001630 -0.000001890 0.000000923 0.000000095 -0.000001065 -0.000002745 -0.000000809 0.000000404 0.000002586 -0.000001489 0.000000564 -0.000001847 -0.000003462 -0.000000819 -0.000003513 0.000000843 -0.000000280 -0.000001452 0.000001050 0.000002330 0.000000538 0.000000386 -0.000001405 -0.000000430 0.000000572 0.000001748 0.000000218 -0.000002093 -0.000001867 -0.000000047 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 19-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=checkguess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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_RS/gas/CONF131 #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_RS CONF131 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 2677.3241099186 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 -0.0526736319 0.000000 10.638862 0.000000 3.031645 11.052720 0.000000 4.588567 10.260393 2.266796 0.000000 5.018777 5.905438 6.398195 6.359081 0.000000 4.497966 12.581555 2.874328 2.846364 7.844339 0.000000 4.624982 13.663817 3.304402 3.983568 8.663317 1.358876 0.000000 6.553410 14.291353 4.453300 4.142968 9.918115 2.194267 2.264794 0.000000 3.197620 10.332835 1.413689 1.419112 5.724651 2.485364 3.411093 4.347673 0.000000 4.349386 11.193912 1.441949 2.327145 7.150753 3.626372 4.090116 4.621494 2.341468 0.000000 3.459926 11.301037 2.429295 2.381287 6.415719 1.448509 2.448603 3.605883 1.540348 3.512669 0.000000 5.031167 10.300554 2.328008 1.430972 6.782229 3.830049 4.711380 4.783477 2.284408 1.535780 3.556780 0.000000 2.771244 9.009159 2.437351 2.437674 4.188184 3.825662 4.712062 5.819084 1.536846 3.350157 2.526325 3.119410 0.000000 5.314484 12.667806 2.426951 3.220286 8.615949 3.610923 3.739321 3.897273 3.371545 1.520442 4.071525 2.571363 4.660255 0.000000 1.758807 9.052106 3.022178 3.758898 3.629391 4.589109 5.192871 6.704477 2.594198 4.142534 3.258295 4.288149 1.403314 5.424783 0.000000 4.038291 7.863037 3.581411 2.746905 3.683722 4.731566 5.809722 6.563115 2.532385 4.130761 3.477018 3.391684 1.397689 5.495589 2.387879 0.000000 2.683238 8.026782 4.347586 4.863612 2.346800 5.904400 6.542135 8.035304 3.869972 5.336062 4.515952 5.332612 2.438460 6.703288 1.390237 2.766364 0.000000 4.540719 6.644424 4.764278 4.128829 2.440839 6.020057 7.049983 7.918640 3.834884 5.333567 4.681902 4.641079 2.445413 6.766770 2.784060 1.390566 2.415816 0.000000 3.993137 6.745877 5.063885 5.007440 1.375546 6.513811 7.358319 8.568022 4.351324 5.836134 5.101766 5.473366 2.815422 7.283708 2.406164 2.396551 1.392264 1.393128 0.000000 5.763427 13.015456 3.697231 3.005798 8.707680 1.352433 2.213836 1.320782 3.264323 3.999485 2.529072 3.901715 4.668734 3.711207 5.656130 5.312255 6.936043 6.657971 7.365355 0.000000 5.902416 14.600011 4.186786 4.554068 9.827465 2.090917 1.321478 1.363909 4.339218 4.610810 3.484341 5.154207 5.767499 3.864878 6.397834 6.748693 7.760066 8.057403 8.496152 2.096506 0.000000 6.269791 4.523055 7.286554 6.972920 1.384333 8.786153 9.706231 10.765770 6.576539 7.842121 7.388017 7.281393 5.074763 9.342603 4.770119 4.262642 3.595255 2.888123 2.388897 9.517192 10.804241 0.000000 7.354665 4.022300 8.461747 7.972986 2.375609 9.691244 10.658073 11.662988 7.625230 9.060729 8.281526 8.406585 6.140360 10.541114 5.870136 5.239673 4.680974 3.856059 3.480706 10.382811 11.750328 1.390387 0.000000 6.682347 4.021255 7.299675 6.973853 2.421784 9.103766 10.034344 10.973453 6.736845 7.615986 7.781327 7.016221 5.324370 9.133536 5.169179 4.457263 4.154584 3.223919 3.011529 9.751343 11.066646 1.393786 2.420675 0.000000 8.627082 2.727415 9.512722 8.868347 3.654402 10.794774 11.819846 12.684128 8.678871 9.968935 9.419264 9.200849 7.236808 11.458686 7.090368 6.205027 5.945311 4.846289 4.684829 11.389665 12.861288 2.407352 1.393128 2.794779 0.000000 8.057912 2.727260 8.489191 7.974124 3.682760 10.263882 11.254425 12.045759 7.902882 8.669533 8.976281 7.942418 6.552382 10.171507 6.517291 5.552869 5.536997 4.353442 4.343381 10.809686 12.233100 2.407304 2.793229 1.391212 2.424265 0.000000 8.922782 1.758292 9.512237 8.856185 4.147331 11.043104 12.079954 12.849016 8.789036 9.781448 9.718918 8.980371 7.401780 11.278560 7.354222 6.326130 6.289048 5.038342 5.018101 11.573702 13.071473 2.764769 2.403537 2.404383 1.391344 1.393135 0.000000 4.446897 10.957496 2.053882 3.200204 7.064928 4.636608 4.991148 5.666234 3.088210 1.093862 4.386041 2.181819 3.716647 2.162763 4.276940 4.450921 5.321284 5.471176 5.837264 5.087061 5.559904 7.706521 9.000192 7.342250 9.865009 8.373114 9.573477 0.000000 2.761103 11.555714 2.718806 3.326692 6.288525 2.055525 2.510254 4.217756 2.165218 4.041600 1.086791 4.362687 2.757924 4.602474 2.993486 3.904268 4.225763 4.924033 5.048626 3.344046 3.760167 7.404151 8.293662 7.906251 9.520111 9.179110 9.904630 4.769483 0.000000 4.115887 10.925462 3.349872 2.617400 6.236745 2.084651 3.240872 3.997590 2.147940 4.306345 1.091481 3.994898 2.733679 4.933469 3.575185 3.299569 4.630552 4.421921 4.981685 2.788002 4.122693 7.134311 7.884116 7.628915 8.992275 8.762877 9.376773 5.186949 1.777085 0.000000 6.069381 10.855802 3.228922 2.047339 7.731945 4.211662 5.089052 4.668665 3.189161 2.210352 4.232724 1.089803 4.132875 2.670984 5.354632 4.258680 6.388278 5.497409 6.443837 3.927568 5.264490 8.135584 9.212927 7.806495 9.921586 8.622763 9.641307 2.849235 5.139609 4.587881 0.000000 5.142498 9.326775 2.881425 2.081641 6.144605 4.736781 5.648577 5.851780 2.759676 2.193264 4.202336 1.096162 3.044159 3.456335 4.145533 3.009143 4.961479 4.057547 4.919192 4.901130 6.195391 6.503604 7.660239 6.100166 8.371019 6.963451 8.049354 2.364928 4.922859 4.534536 1.788924 0.000000 6.268394 12.935339 3.373192 3.864398 9.274537 4.589008 4.745430 4.561383 4.262854 2.158253 5.073151 2.912995 5.463570 1.094371 6.279548 6.142329 7.489081 7.378607 7.969805 4.477073 4.689787 9.889982 11.108488 9.543378 11.935738 10.487137 11.640015 2.476315 5.665804 5.862505 2.691175 3.668840 0.000000 5.609719 13.001910 2.737691 3.014768 8.906575 2.915138 3.117478 2.850325 3.321957 2.165484 3.676771 2.766680 4.784600 1.091690 5.675851 5.576704 7.002991 6.926527 7.541015 2.749243 3.020516 9.650604 10.768795 9.545622 11.704613 10.582541 11.607207 3.072308 4.329861 4.448944 2.688682 3.816868 1.777121 0.000000 5.122969 13.295624 2.639326 4.020900 8.944219 3.852448 3.605064 4.170945 3.827395 2.152501 4.360442 3.496898 5.061065 1.091172 5.580698 6.081363 6.878934 7.300721 7.637863 4.176136 3.783320 9.775909 11.003866 9.614809 11.988980 10.721573 11.848467 2.521960 4.655859 5.346288 3.738296 4.300852 1.775167 1.769773 0.000000 4.900736 8.066850 3.823248 2.323975 4.572075 4.648339 5.857119 6.225424 2.685364 4.097922 3.598610 3.011850 2.132809 5.350091 3.366546 1.082316 3.848623 2.140181 3.377216 4.953478 6.624989 4.941825 5.814520 5.012029 6.628945 5.929299 6.666512 4.549936 4.280378 3.294463 3.669011 2.679228 5.895172 5.314309 6.092746 0.000000 2.801483 8.336383 5.050993 5.844535 2.544429 6.630382 7.112094 8.787365 4.746771 6.097980 5.276543 6.267621 3.419184 7.414212 2.154613 3.847857 1.081534 3.391358 2.142569 7.753080 8.379496 3.870206 4.880256 4.512052 6.178074 5.889823 6.590833 5.991648 4.804318 5.454177 7.342203 5.908933 8.219058 7.766952 7.460036 4.930098 0.000000 5.622307 5.809084 5.668624 4.723628 2.715517 6.798672 7.913189 8.582047 4.684761 6.083448 5.515049 5.189090 3.420735 7.503621 3.865850 2.152388 3.399136 1.081858 2.155616 7.292725 8.848960 2.640929 3.388252 2.882520 4.161228 3.753192 4.300734 6.218082 5.856163 5.125468 5.913937 4.513156 8.027805 7.630716 8.128618 2.470722 4.287473 0.000000 6.208025 12.449495 4.054740 2.710268 8.522627 2.135892 3.238273 2.149855 3.360579 4.193905 2.854546 3.686093 4.631973 4.101979 5.792517 4.993123 6.976744 6.323578 7.201547 1.077858 3.154445 9.204435 10.009218 9.402379 10.930424 10.369685 11.084573 5.277740 3.839950 2.788922 3.575473 4.603412 4.729514 3.181369 4.777666 4.443560 7.884704 6.822468 0.000000 6.543176 15.607594 4.967691 5.562281 10.739144 3.131332 2.099837 2.154494 5.297522 5.337555 4.470830 6.039940 6.709780 4.400234 7.234390 7.754459 8.601005 9.049899 9.419611 3.137602 1.079162 11.755038 12.723460 12.011880 13.856428 13.199504 14.064417 6.200356 4.602907 5.147317 6.113083 7.087131 5.136320 3.647242 4.111947 7.667750 9.147151 9.871329 4.167264 0.000000 7.330909 4.888015 8.675456 8.215027 2.580048 9.660546 10.597240 11.674623 7.769924 9.414149 8.235144 8.804519 6.294766 10.856658 5.939880 5.491406 4.743184 4.164693 3.679572 10.399055 11.718743 2.139000 1.082777 3.393953 2.160833 3.875813 3.393685 9.437266 8.163838 7.772677 9.636628 8.159125 11.505641 11.013601 11.278398 6.108303 4.854463 3.818077 10.061189 12.680664 0.000000 6.097862 4.881329 6.558233 6.418477 2.663693 8.600213 9.468986 10.434634 6.159100 6.793509 7.331602 6.301921 4.815115 8.309569 4.658699 4.101538 3.789302 3.081271 2.866675 9.264048 10.485234 2.148599 3.397718 1.082989 3.877684 2.154180 3.391595 6.424366 7.463159 7.317649 7.117079 5.357784 8.681780 8.804576 8.759126 4.693655 4.187666 3.002952 8.974849 11.396868 4.279422 0.000000 9.500856 2.863057 10.449672 9.724109 4.527717 11.571725 12.616784 13.450715 9.550708 10.939773 10.196323 10.131166 8.121525 12.415096 7.980131 7.070125 6.828256 5.728053 5.584974 12.144297 13.653365 3.392315 2.155016 3.876981 1.082240 3.402066 2.148919 10.880586 10.289104 9.693864 10.826871 9.329789 12.908809 12.612413 12.957619 7.449659 7.024429 5.004444 11.655065 14.658258 2.501444 4.959899 0.000000 8.572956 2.861044 8.755272 8.245639 4.569127 10.687372 11.670224 12.373845 8.277519 8.768766 9.467179 8.033796 7.022275 10.244535 7.065418 6.039242 6.192805 4.982704 5.075488 11.172112 12.594980 3.392982 3.875498 2.153135 3.401443 1.082325 2.149980 8.384189 9.729102 9.319415 8.642304 6.994007 10.452059 10.719965 10.818682 6.325908 6.572397 4.401278 10.715621 13.547381 4.958110 2.491421 4.290212 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4253615 0.0613231 0.0584070 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= 1.26D-06 NBF= 712 NBsUse= 709 1.00D-06 EigRej= 5.92D-07 NBFU= 709 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= 716 716 716 716 716 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 1 1 -2044.94201982492 -2044.94201982 1 2.038244468105e+03 -1.016223269084e+04 3.401774766627e+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. PT923.800S Mon Jul 19 08:36:24 2021 GINC-CIBELES2-329 PAULAPLA 19-Jul-2021 0 Wavefunction difenoconazole_RS CONF131 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-2044.9420198 RMSD=6.684e-09 Dipole=-1.2434206,0.7019781,0.6997677 Quadrupole=-12.7012968,7.7767873,4.9245094,15.5385343,3.5579291,4.7428143 PG=C01 [X(C19H17Cl2N3O3)] 0 1.8892910039 0.1461548033 -2.8345064667 0 -7.5406672444 2.1143556515 1.6807396645 0 3.2270636432 0.3949053194 -0.1253816481 0 2.3313831572 -0.681664218 1.6570654747 0 -2.9839230393 0.4003338009 -1.6617764374 0 4.1409558401 -2.3125514222 0.1848424795 0 5.2182160271 -2.1925593042 -0.6347036143 0 5.8642149363 -2.8347240306 1.4388446143 0 2.3177826946 -0.6243212013 0.2391774966 0 3.5945803327 1.170582282 1.0332699184 0 2.8046379624 -1.9927838302 -0.2736142993 0 2.6441700303 0.6373425935 2.1153954251 0 0.9048989517 -0.327516722 -0.2876647764 0 5.0716125704 0.9798051084 1.3394122345 0 0.6254806885 0.0225341204 -1.6175824236 0 -0.1842343608 -0.4355796573 0.5816132809 0 -0.6718188216 0.2805873628 -2.0455779436 0 -1.4916925032 -0.1878605853 0.1780523564 0 -1.7285080859 0.1797418352 -1.1446696468 0 4.5511602018 -2.6939325939 1.4158401491 0 6.2217296913 -2.5169351976 0.1615653672 0 -4.0146130524 0.7955891271 -0.8264140923 0 -5.1958907958 0.0632122201 -0.8636123934 0 -3.9073408992 1.9366719363 -0.0332790438 0 -6.2853195122 0.4696916626 -0.0963289839 0 -4.990636917 2.3406788568 0.7404899535 0 -6.171731094 1.6028186779 0.7030207467 0 3.3813387624 2.2190642375 0.8057869877 0 2.823366342 -1.9934106136 -1.3602435823 0 2.1068378609 -2.75566185 0.0762762972 0 3.1077623124 0.5485704238 3.0976745815 0 1.7311308986 1.239565388 2.18791547 0 5.3774596567 1.643922426 2.1536928311 0 5.2794611782 -0.0516189169 1.6305326509 0 5.6677783337 1.2140097244 0.456015306 0 0.0084398852 -0.728074955 1.6056886207 0 -0.871966062 0.5550313531 -3.072387334 0 -2.3105830417 -0.2831899159 0.8785860111 0 3.8680788738 -2.8374956927 2.2371600446 0 7.2423393585 -2.5293864461 -0.1888493085 0 -5.2538133498 -0.8147119529 -1.4947218935 0 -2.9829969442 2.500909529 -0.0238382548 0 -7.2113441909 -0.0900632766 -0.1162517876 0 -4.923740745 3.2254634149 1.3602549538 Gaussian 16 19-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_RS/gas/CONF131 #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_RS CONF131 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 2677.3241099186 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 -0.0526736319 0.000000 10.638862 0.000000 3.031645 11.052720 0.000000 4.588567 10.260393 2.266796 0.000000 5.018777 5.905438 6.398195 6.359081 0.000000 4.497966 12.581555 2.874328 2.846364 7.844339 0.000000 4.624982 13.663817 3.304402 3.983568 8.663317 1.358876 0.000000 6.553410 14.291353 4.453300 4.142968 9.918115 2.194267 2.264794 0.000000 3.197620 10.332835 1.413689 1.419112 5.724651 2.485364 3.411093 4.347673 0.000000 4.349386 11.193912 1.441949 2.327145 7.150753 3.626372 4.090116 4.621494 2.341468 0.000000 3.459926 11.301037 2.429295 2.381287 6.415719 1.448509 2.448603 3.605883 1.540348 3.512669 0.000000 5.031167 10.300554 2.328008 1.430972 6.782229 3.830049 4.711380 4.783477 2.284408 1.535780 3.556780 0.000000 2.771244 9.009159 2.437351 2.437674 4.188184 3.825662 4.712062 5.819084 1.536846 3.350157 2.526325 3.119410 0.000000 5.314484 12.667806 2.426951 3.220286 8.615949 3.610923 3.739321 3.897273 3.371545 1.520442 4.071525 2.571363 4.660255 0.000000 1.758807 9.052106 3.022178 3.758898 3.629391 4.589109 5.192871 6.704477 2.594198 4.142534 3.258295 4.288149 1.403314 5.424783 0.000000 4.038291 7.863037 3.581411 2.746905 3.683722 4.731566 5.809722 6.563115 2.532385 4.130761 3.477018 3.391684 1.397689 5.495589 2.387879 0.000000 2.683238 8.026782 4.347586 4.863612 2.346800 5.904400 6.542135 8.035304 3.869972 5.336062 4.515952 5.332612 2.438460 6.703288 1.390237 2.766364 0.000000 4.540719 6.644424 4.764278 4.128829 2.440839 6.020057 7.049983 7.918640 3.834884 5.333567 4.681902 4.641079 2.445413 6.766770 2.784060 1.390566 2.415816 0.000000 3.993137 6.745877 5.063885 5.007440 1.375546 6.513811 7.358319 8.568022 4.351324 5.836134 5.101766 5.473366 2.815422 7.283708 2.406164 2.396551 1.392264 1.393128 0.000000 5.763427 13.015456 3.697231 3.005798 8.707680 1.352433 2.213836 1.320782 3.264323 3.999485 2.529072 3.901715 4.668734 3.711207 5.656130 5.312255 6.936043 6.657971 7.365355 0.000000 5.902416 14.600011 4.186786 4.554068 9.827465 2.090917 1.321478 1.363909 4.339218 4.610810 3.484341 5.154207 5.767499 3.864878 6.397834 6.748693 7.760066 8.057403 8.496152 2.096506 0.000000 6.269791 4.523055 7.286554 6.972920 1.384333 8.786153 9.706231 10.765770 6.576539 7.842121 7.388017 7.281393 5.074763 9.342603 4.770119 4.262642 3.595255 2.888123 2.388897 9.517192 10.804241 0.000000 7.354665 4.022300 8.461747 7.972986 2.375609 9.691244 10.658073 11.662988 7.625230 9.060729 8.281526 8.406585 6.140360 10.541114 5.870136 5.239673 4.680974 3.856059 3.480706 10.382811 11.750328 1.390387 0.000000 6.682347 4.021255 7.299675 6.973853 2.421784 9.103766 10.034344 10.973453 6.736845 7.615986 7.781327 7.016221 5.324370 9.133536 5.169179 4.457263 4.154584 3.223919 3.011529 9.751343 11.066646 1.393786 2.420675 0.000000 8.627082 2.727415 9.512722 8.868347 3.654402 10.794774 11.819846 12.684128 8.678871 9.968935 9.419264 9.200849 7.236808 11.458686 7.090368 6.205027 5.945311 4.846289 4.684829 11.389665 12.861288 2.407352 1.393128 2.794779 0.000000 8.057912 2.727260 8.489191 7.974124 3.682760 10.263882 11.254425 12.045759 7.902882 8.669533 8.976281 7.942418 6.552382 10.171507 6.517291 5.552869 5.536997 4.353442 4.343381 10.809686 12.233100 2.407304 2.793229 1.391212 2.424265 0.000000 8.922782 1.758292 9.512237 8.856185 4.147331 11.043104 12.079954 12.849016 8.789036 9.781448 9.718918 8.980371 7.401780 11.278560 7.354222 6.326130 6.289048 5.038342 5.018101 11.573702 13.071473 2.764769 2.403537 2.404383 1.391344 1.393135 0.000000 4.446897 10.957496 2.053882 3.200204 7.064928 4.636608 4.991148 5.666234 3.088210 1.093862 4.386041 2.181819 3.716647 2.162763 4.276940 4.450921 5.321284 5.471176 5.837264 5.087061 5.559904 7.706521 9.000192 7.342250 9.865009 8.373114 9.573477 0.000000 2.761103 11.555714 2.718806 3.326692 6.288525 2.055525 2.510254 4.217756 2.165218 4.041600 1.086791 4.362687 2.757924 4.602474 2.993486 3.904268 4.225763 4.924033 5.048626 3.344046 3.760167 7.404151 8.293662 7.906251 9.520111 9.179110 9.904630 4.769483 0.000000 4.115887 10.925462 3.349872 2.617400 6.236745 2.084651 3.240872 3.997590 2.147940 4.306345 1.091481 3.994898 2.733679 4.933469 3.575185 3.299569 4.630552 4.421921 4.981685 2.788002 4.122693 7.134311 7.884116 7.628915 8.992275 8.762877 9.376773 5.186949 1.777085 0.000000 6.069381 10.855802 3.228922 2.047339 7.731945 4.211662 5.089052 4.668665 3.189161 2.210352 4.232724 1.089803 4.132875 2.670984 5.354632 4.258680 6.388278 5.497409 6.443837 3.927568 5.264490 8.135584 9.212927 7.806495 9.921586 8.622763 9.641307 2.849235 5.139609 4.587881 0.000000 5.142498 9.326775 2.881425 2.081641 6.144605 4.736781 5.648577 5.851780 2.759676 2.193264 4.202336 1.096162 3.044159 3.456335 4.145533 3.009143 4.961479 4.057547 4.919192 4.901130 6.195391 6.503604 7.660239 6.100166 8.371019 6.963451 8.049354 2.364928 4.922859 4.534536 1.788924 0.000000 6.268394 12.935339 3.373192 3.864398 9.274537 4.589008 4.745430 4.561383 4.262854 2.158253 5.073151 2.912995 5.463570 1.094371 6.279548 6.142329 7.489081 7.378607 7.969805 4.477073 4.689787 9.889982 11.108488 9.543378 11.935738 10.487137 11.640015 2.476315 5.665804 5.862505 2.691175 3.668840 0.000000 5.609719 13.001910 2.737691 3.014768 8.906575 2.915138 3.117478 2.850325 3.321957 2.165484 3.676771 2.766680 4.784600 1.091690 5.675851 5.576704 7.002991 6.926527 7.541015 2.749243 3.020516 9.650604 10.768795 9.545622 11.704613 10.582541 11.607207 3.072308 4.329861 4.448944 2.688682 3.816868 1.777121 0.000000 5.122969 13.295624 2.639326 4.020900 8.944219 3.852448 3.605064 4.170945 3.827395 2.152501 4.360442 3.496898 5.061065 1.091172 5.580698 6.081363 6.878934 7.300721 7.637863 4.176136 3.783320 9.775909 11.003866 9.614809 11.988980 10.721573 11.848467 2.521960 4.655859 5.346288 3.738296 4.300852 1.775167 1.769773 0.000000 4.900736 8.066850 3.823248 2.323975 4.572075 4.648339 5.857119 6.225424 2.685364 4.097922 3.598610 3.011850 2.132809 5.350091 3.366546 1.082316 3.848623 2.140181 3.377216 4.953478 6.624989 4.941825 5.814520 5.012029 6.628945 5.929299 6.666512 4.549936 4.280378 3.294463 3.669011 2.679228 5.895172 5.314309 6.092746 0.000000 2.801483 8.336383 5.050993 5.844535 2.544429 6.630382 7.112094 8.787365 4.746771 6.097980 5.276543 6.267621 3.419184 7.414212 2.154613 3.847857 1.081534 3.391358 2.142569 7.753080 8.379496 3.870206 4.880256 4.512052 6.178074 5.889823 6.590833 5.991648 4.804318 5.454177 7.342203 5.908933 8.219058 7.766952 7.460036 4.930098 0.000000 5.622307 5.809084 5.668624 4.723628 2.715517 6.798672 7.913189 8.582047 4.684761 6.083448 5.515049 5.189090 3.420735 7.503621 3.865850 2.152388 3.399136 1.081858 2.155616 7.292725 8.848960 2.640929 3.388252 2.882520 4.161228 3.753192 4.300734 6.218082 5.856163 5.125468 5.913937 4.513156 8.027805 7.630716 8.128618 2.470722 4.287473 0.000000 6.208025 12.449495 4.054740 2.710268 8.522627 2.135892 3.238273 2.149855 3.360579 4.193905 2.854546 3.686093 4.631973 4.101979 5.792517 4.993123 6.976744 6.323578 7.201547 1.077858 3.154445 9.204435 10.009218 9.402379 10.930424 10.369685 11.084573 5.277740 3.839950 2.788922 3.575473 4.603412 4.729514 3.181369 4.777666 4.443560 7.884704 6.822468 0.000000 6.543176 15.607594 4.967691 5.562281 10.739144 3.131332 2.099837 2.154494 5.297522 5.337555 4.470830 6.039940 6.709780 4.400234 7.234390 7.754459 8.601005 9.049899 9.419611 3.137602 1.079162 11.755038 12.723460 12.011880 13.856428 13.199504 14.064417 6.200356 4.602907 5.147317 6.113083 7.087131 5.136320 3.647242 4.111947 7.667750 9.147151 9.871329 4.167264 0.000000 7.330909 4.888015 8.675456 8.215027 2.580048 9.660546 10.597240 11.674623 7.769924 9.414149 8.235144 8.804519 6.294766 10.856658 5.939880 5.491406 4.743184 4.164693 3.679572 10.399055 11.718743 2.139000 1.082777 3.393953 2.160833 3.875813 3.393685 9.437266 8.163838 7.772677 9.636628 8.159125 11.505641 11.013601 11.278398 6.108303 4.854463 3.818077 10.061189 12.680664 0.000000 6.097862 4.881329 6.558233 6.418477 2.663693 8.600213 9.468986 10.434634 6.159100 6.793509 7.331602 6.301921 4.815115 8.309569 4.658699 4.101538 3.789302 3.081271 2.866675 9.264048 10.485234 2.148599 3.397718 1.082989 3.877684 2.154180 3.391595 6.424366 7.463159 7.317649 7.117079 5.357784 8.681780 8.804576 8.759126 4.693655 4.187666 3.002952 8.974849 11.396868 4.279422 0.000000 9.500856 2.863057 10.449672 9.724109 4.527717 11.571725 12.616784 13.450715 9.550708 10.939773 10.196323 10.131166 8.121525 12.415096 7.980131 7.070125 6.828256 5.728053 5.584974 12.144297 13.653365 3.392315 2.155016 3.876981 1.082240 3.402066 2.148919 10.880586 10.289104 9.693864 10.826871 9.329789 12.908809 12.612413 12.957619 7.449659 7.024429 5.004444 11.655065 14.658258 2.501444 4.959899 0.000000 8.572956 2.861044 8.755272 8.245639 4.569127 10.687372 11.670224 12.373845 8.277519 8.768766 9.467179 8.033796 7.022275 10.244535 7.065418 6.039242 6.192805 4.982704 5.075488 11.172112 12.594980 3.392982 3.875498 2.153135 3.401443 1.082325 2.149980 8.384189 9.729102 9.319415 8.642304 6.994007 10.452059 10.719965 10.818682 6.325908 6.572397 4.401278 10.715621 13.547381 4.958110 2.491421 4.290212 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4253615 0.0613231 0.0584070 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= 1.26D-06 NBF= 712 NBsUse= 709 1.00D-06 EigRej= 5.92D-07 NBFU= 709 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= 716 716 716 716 716 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 1 1 -2044.94201982492 -2044.94201982509 -0.000000000164 -2044.94201983 2 2.038244467925e+03 -1.016223269341e+04 3.401774769377e+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 4.5947 269.84 0.0226 0.000 99 107 0.10368 102 107 0.10877 105 106 0.66797 -2044.77316858 2 Singlet-A 4.9043 252.80 0.3071 0.000 105 107 0.67361 3 Singlet-A 4.9410 250.93 0.0209 0.000 99 107 0.16098 102 106 0.12618 102 107 -0.16814 102 109 0.12850 103 106 0.10041 104 106 0.13401 104 107 0.10084 105 107 -0.11122 105 108 0.56662 4 Singlet-A 5.2335 236.90 0.0456 0.000 99 107 0.10677 102 106 0.26539 103 106 0.29419 104 106 0.44140 105 108 -0.30711 105 109 0.12515 5 Singlet-A 5.3239 232.88 0.0066 0.000 102 106 0.10865 102 107 -0.10175 103 107 -0.17144 104 106 -0.15860 104 107 -0.23646 105 109 0.57947 6 Singlet-A 5.4376 228.01 0.0066 0.000 100 106 0.15068 102 106 0.20605 103 106 0.44022 103 108 -0.16040 104 106 -0.40854 104 108 0.13316 7 Singlet-A 5.4705 226.64 0.1398 0.000 99 107 0.12253 102 106 -0.23944 102 107 0.21265 102 108 0.15646 103 106 0.17979 103 107 -0.16183 103 108 0.20416 104 107 -0.25504 104 108 0.32895 105 106 -0.14573 105 108 0.14489 8 Singlet-A 5.5089 225.06 0.0368 0.000 99 107 0.11609 102 106 0.44204 102 107 0.24882 102 108 0.20070 103 106 -0.28521 103 108 0.16294 104 107 0.10970 104 108 0.14808 9 Singlet-A 5.5715 222.53 0.0147 0.000 100 107 0.18174 100 109 -0.10761 101 107 0.10193 103 107 0.45342 103 109 -0.17933 104 107 -0.40205 104 109 0.15067 10 Singlet-A 5.6350 220.02 0.0060 0.000 103 107 0.11560 105 110 0.62496 105 111 -0.10515 105 112 0.15019 PT67301.100S Mon Jul 19 09:46:32 2021 GINC-CIBELES2-329 PAULAPLA 19-Jul-2021 0 Electronic spectrum difenoconazole_RS CONF131 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-2044.9420198 RMSD=4.556e-09 PG=C01 [X(C19H17Cl2N3O3)] 0 1.8892910039 0.1461548033 -2.8345064667 0 -7.5406672444 2.1143556515 1.6807396645 0 3.2270636432 0.3949053194 -0.1253816481 0 2.3313831572 -0.681664218 1.6570654747 0 -2.9839230393 0.4003338009 -1.6617764374 0 4.1409558401 -2.3125514222 0.1848424795 0 5.2182160271 -2.1925593042 -0.6347036143 0 5.8642149363 -2.8347240306 1.4388446143 0 2.3177826946 -0.6243212013 0.2391774966 0 3.5945803327 1.170582282 1.0332699184 0 2.8046379624 -1.9927838302 -0.2736142993 0 2.6441700303 0.6373425935 2.1153954251 0 0.9048989517 -0.327516722 -0.2876647764 0 5.0716125704 0.9798051084 1.3394122345 0 0.6254806885 0.0225341204 -1.6175824236 0 -0.1842343608 -0.4355796573 0.5816132809 0 -0.6718188216 0.2805873628 -2.0455779436 0 -1.4916925032 -0.1878605853 0.1780523564 0 -1.7285080859 0.1797418352 -1.1446696468 0 4.5511602018 -2.6939325939 1.4158401491 0 6.2217296913 -2.5169351976 0.1615653672 0 -4.0146130524 0.7955891271 -0.8264140923 0 -5.1958907958 0.0632122201 -0.8636123934 0 -3.9073408992 1.9366719363 -0.0332790438 0 -6.2853195122 0.4696916626 -0.0963289839 0 -4.990636917 2.3406788568 0.7404899535 0 -6.171731094 1.6028186779 0.7030207467 0 3.3813387624 2.2190642375 0.8057869877 0 2.823366342 -1.9934106136 -1.3602435823 0 2.1068378609 -2.75566185 0.0762762972 0 3.1077623124 0.5485704238 3.0976745815 0 1.7311308986 1.239565388 2.18791547 0 5.3774596567 1.643922426 2.1536928311 0 5.2794611782 -0.0516189169 1.6305326509 0 5.6677783337 1.2140097244 0.456015306 0 0.0084398852 -0.728074955 1.6056886207 0 -0.871966062 0.5550313531 -3.072387334 0 -2.3105830417 -0.2831899159 0.8785860111 0 3.8680788738 -2.8374956927 2.2371600446 0 7.2423393585 -2.5293864461 -0.1888493085 0 -5.2538133498 -0.8147119529 -1.4947218935 0 -2.9829969442 2.500909529 -0.0238382548 0 -7.2113441909 -0.0900632766 -0.1162517876 0 -4.923740745 3.2254634149 1.3602549538 Gaussian 16 19-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_RS/gas/CONF131 #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_RS CONF131 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 2677.3241099186 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 -0.0526736319 0.000000 10.638862 0.000000 3.031645 11.052720 0.000000 4.588567 10.260393 2.266796 0.000000 5.018777 5.905438 6.398195 6.359081 0.000000 4.497966 12.581555 2.874328 2.846364 7.844339 0.000000 4.624982 13.663817 3.304402 3.983568 8.663317 1.358876 0.000000 6.553410 14.291353 4.453300 4.142968 9.918115 2.194267 2.264794 0.000000 3.197620 10.332835 1.413689 1.419112 5.724651 2.485364 3.411093 4.347673 0.000000 4.349386 11.193912 1.441949 2.327145 7.150753 3.626372 4.090116 4.621494 2.341468 0.000000 3.459926 11.301037 2.429295 2.381287 6.415719 1.448509 2.448603 3.605883 1.540348 3.512669 0.000000 5.031167 10.300554 2.328008 1.430972 6.782229 3.830049 4.711380 4.783477 2.284408 1.535780 3.556780 0.000000 2.771244 9.009159 2.437351 2.437674 4.188184 3.825662 4.712062 5.819084 1.536846 3.350157 2.526325 3.119410 0.000000 5.314484 12.667806 2.426951 3.220286 8.615949 3.610923 3.739321 3.897273 3.371545 1.520442 4.071525 2.571363 4.660255 0.000000 1.758807 9.052106 3.022178 3.758898 3.629391 4.589109 5.192871 6.704477 2.594198 4.142534 3.258295 4.288149 1.403314 5.424783 0.000000 4.038291 7.863037 3.581411 2.746905 3.683722 4.731566 5.809722 6.563115 2.532385 4.130761 3.477018 3.391684 1.397689 5.495589 2.387879 0.000000 2.683238 8.026782 4.347586 4.863612 2.346800 5.904400 6.542135 8.035304 3.869972 5.336062 4.515952 5.332612 2.438460 6.703288 1.390237 2.766364 0.000000 4.540719 6.644424 4.764278 4.128829 2.440839 6.020057 7.049983 7.918640 3.834884 5.333567 4.681902 4.641079 2.445413 6.766770 2.784060 1.390566 2.415816 0.000000 3.993137 6.745877 5.063885 5.007440 1.375546 6.513811 7.358319 8.568022 4.351324 5.836134 5.101766 5.473366 2.815422 7.283708 2.406164 2.396551 1.392264 1.393128 0.000000 5.763427 13.015456 3.697231 3.005798 8.707680 1.352433 2.213836 1.320782 3.264323 3.999485 2.529072 3.901715 4.668734 3.711207 5.656130 5.312255 6.936043 6.657971 7.365355 0.000000 5.902416 14.600011 4.186786 4.554068 9.827465 2.090917 1.321478 1.363909 4.339218 4.610810 3.484341 5.154207 5.767499 3.864878 6.397834 6.748693 7.760066 8.057403 8.496152 2.096506 0.000000 6.269791 4.523055 7.286554 6.972920 1.384333 8.786153 9.706231 10.765770 6.576539 7.842121 7.388017 7.281393 5.074763 9.342603 4.770119 4.262642 3.595255 2.888123 2.388897 9.517192 10.804241 0.000000 7.354665 4.022300 8.461747 7.972986 2.375609 9.691244 10.658073 11.662988 7.625230 9.060729 8.281526 8.406585 6.140360 10.541114 5.870136 5.239673 4.680974 3.856059 3.480706 10.382811 11.750328 1.390387 0.000000 6.682347 4.021255 7.299675 6.973853 2.421784 9.103766 10.034344 10.973453 6.736845 7.615986 7.781327 7.016221 5.324370 9.133536 5.169179 4.457263 4.154584 3.223919 3.011529 9.751343 11.066646 1.393786 2.420675 0.000000 8.627082 2.727415 9.512722 8.868347 3.654402 10.794774 11.819846 12.684128 8.678871 9.968935 9.419264 9.200849 7.236808 11.458686 7.090368 6.205027 5.945311 4.846289 4.684829 11.389665 12.861288 2.407352 1.393128 2.794779 0.000000 8.057912 2.727260 8.489191 7.974124 3.682760 10.263882 11.254425 12.045759 7.902882 8.669533 8.976281 7.942418 6.552382 10.171507 6.517291 5.552869 5.536997 4.353442 4.343381 10.809686 12.233100 2.407304 2.793229 1.391212 2.424265 0.000000 8.922782 1.758292 9.512237 8.856185 4.147331 11.043104 12.079954 12.849016 8.789036 9.781448 9.718918 8.980371 7.401780 11.278560 7.354222 6.326130 6.289048 5.038342 5.018101 11.573702 13.071473 2.764769 2.403537 2.404383 1.391344 1.393135 0.000000 4.446897 10.957496 2.053882 3.200204 7.064928 4.636608 4.991148 5.666234 3.088210 1.093862 4.386041 2.181819 3.716647 2.162763 4.276940 4.450921 5.321284 5.471176 5.837264 5.087061 5.559904 7.706521 9.000192 7.342250 9.865009 8.373114 9.573477 0.000000 2.761103 11.555714 2.718806 3.326692 6.288525 2.055525 2.510254 4.217756 2.165218 4.041600 1.086791 4.362687 2.757924 4.602474 2.993486 3.904268 4.225763 4.924033 5.048626 3.344046 3.760167 7.404151 8.293662 7.906251 9.520111 9.179110 9.904630 4.769483 0.000000 4.115887 10.925462 3.349872 2.617400 6.236745 2.084651 3.240872 3.997590 2.147940 4.306345 1.091481 3.994898 2.733679 4.933469 3.575185 3.299569 4.630552 4.421921 4.981685 2.788002 4.122693 7.134311 7.884116 7.628915 8.992275 8.762877 9.376773 5.186949 1.777085 0.000000 6.069381 10.855802 3.228922 2.047339 7.731945 4.211662 5.089052 4.668665 3.189161 2.210352 4.232724 1.089803 4.132875 2.670984 5.354632 4.258680 6.388278 5.497409 6.443837 3.927568 5.264490 8.135584 9.212927 7.806495 9.921586 8.622763 9.641307 2.849235 5.139609 4.587881 0.000000 5.142498 9.326775 2.881425 2.081641 6.144605 4.736781 5.648577 5.851780 2.759676 2.193264 4.202336 1.096162 3.044159 3.456335 4.145533 3.009143 4.961479 4.057547 4.919192 4.901130 6.195391 6.503604 7.660239 6.100166 8.371019 6.963451 8.049354 2.364928 4.922859 4.534536 1.788924 0.000000 6.268394 12.935339 3.373192 3.864398 9.274537 4.589008 4.745430 4.561383 4.262854 2.158253 5.073151 2.912995 5.463570 1.094371 6.279548 6.142329 7.489081 7.378607 7.969805 4.477073 4.689787 9.889982 11.108488 9.543378 11.935738 10.487137 11.640015 2.476315 5.665804 5.862505 2.691175 3.668840 0.000000 5.609719 13.001910 2.737691 3.014768 8.906575 2.915138 3.117478 2.850325 3.321957 2.165484 3.676771 2.766680 4.784600 1.091690 5.675851 5.576704 7.002991 6.926527 7.541015 2.749243 3.020516 9.650604 10.768795 9.545622 11.704613 10.582541 11.607207 3.072308 4.329861 4.448944 2.688682 3.816868 1.777121 0.000000 5.122969 13.295624 2.639326 4.020900 8.944219 3.852448 3.605064 4.170945 3.827395 2.152501 4.360442 3.496898 5.061065 1.091172 5.580698 6.081363 6.878934 7.300721 7.637863 4.176136 3.783320 9.775909 11.003866 9.614809 11.988980 10.721573 11.848467 2.521960 4.655859 5.346288 3.738296 4.300852 1.775167 1.769773 0.000000 4.900736 8.066850 3.823248 2.323975 4.572075 4.648339 5.857119 6.225424 2.685364 4.097922 3.598610 3.011850 2.132809 5.350091 3.366546 1.082316 3.848623 2.140181 3.377216 4.953478 6.624989 4.941825 5.814520 5.012029 6.628945 5.929299 6.666512 4.549936 4.280378 3.294463 3.669011 2.679228 5.895172 5.314309 6.092746 0.000000 2.801483 8.336383 5.050993 5.844535 2.544429 6.630382 7.112094 8.787365 4.746771 6.097980 5.276543 6.267621 3.419184 7.414212 2.154613 3.847857 1.081534 3.391358 2.142569 7.753080 8.379496 3.870206 4.880256 4.512052 6.178074 5.889823 6.590833 5.991648 4.804318 5.454177 7.342203 5.908933 8.219058 7.766952 7.460036 4.930098 0.000000 5.622307 5.809084 5.668624 4.723628 2.715517 6.798672 7.913189 8.582047 4.684761 6.083448 5.515049 5.189090 3.420735 7.503621 3.865850 2.152388 3.399136 1.081858 2.155616 7.292725 8.848960 2.640929 3.388252 2.882520 4.161228 3.753192 4.300734 6.218082 5.856163 5.125468 5.913937 4.513156 8.027805 7.630716 8.128618 2.470722 4.287473 0.000000 6.208025 12.449495 4.054740 2.710268 8.522627 2.135892 3.238273 2.149855 3.360579 4.193905 2.854546 3.686093 4.631973 4.101979 5.792517 4.993123 6.976744 6.323578 7.201547 1.077858 3.154445 9.204435 10.009218 9.402379 10.930424 10.369685 11.084573 5.277740 3.839950 2.788922 3.575473 4.603412 4.729514 3.181369 4.777666 4.443560 7.884704 6.822468 0.000000 6.543176 15.607594 4.967691 5.562281 10.739144 3.131332 2.099837 2.154494 5.297522 5.337555 4.470830 6.039940 6.709780 4.400234 7.234390 7.754459 8.601005 9.049899 9.419611 3.137602 1.079162 11.755038 12.723460 12.011880 13.856428 13.199504 14.064417 6.200356 4.602907 5.147317 6.113083 7.087131 5.136320 3.647242 4.111947 7.667750 9.147151 9.871329 4.167264 0.000000 7.330909 4.888015 8.675456 8.215027 2.580048 9.660546 10.597240 11.674623 7.769924 9.414149 8.235144 8.804519 6.294766 10.856658 5.939880 5.491406 4.743184 4.164693 3.679572 10.399055 11.718743 2.139000 1.082777 3.393953 2.160833 3.875813 3.393685 9.437266 8.163838 7.772677 9.636628 8.159125 11.505641 11.013601 11.278398 6.108303 4.854463 3.818077 10.061189 12.680664 0.000000 6.097862 4.881329 6.558233 6.418477 2.663693 8.600213 9.468986 10.434634 6.159100 6.793509 7.331602 6.301921 4.815115 8.309569 4.658699 4.101538 3.789302 3.081271 2.866675 9.264048 10.485234 2.148599 3.397718 1.082989 3.877684 2.154180 3.391595 6.424366 7.463159 7.317649 7.117079 5.357784 8.681780 8.804576 8.759126 4.693655 4.187666 3.002952 8.974849 11.396868 4.279422 0.000000 9.500856 2.863057 10.449672 9.724109 4.527717 11.571725 12.616784 13.450715 9.550708 10.939773 10.196323 10.131166 8.121525 12.415096 7.980131 7.070125 6.828256 5.728053 5.584974 12.144297 13.653365 3.392315 2.155016 3.876981 1.082240 3.402066 2.148919 10.880586 10.289104 9.693864 10.826871 9.329789 12.908809 12.612413 12.957619 7.449659 7.024429 5.004444 11.655065 14.658258 2.501444 4.959899 0.000000 8.572956 2.861044 8.755272 8.245639 4.569127 10.687372 11.670224 12.373845 8.277519 8.768766 9.467179 8.033796 7.022275 10.244535 7.065418 6.039242 6.192805 4.982704 5.075488 11.172112 12.594980 3.392982 3.875498 2.153135 3.401443 1.082325 2.149980 8.384189 9.729102 9.319415 8.642304 6.994007 10.452059 10.719965 10.818682 6.325908 6.572397 4.401278 10.715621 13.547381 4.958110 2.491421 4.290212 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4253615 0.0613231 0.0584070 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= 1.14D-06 NBF= 1222 NBsUse= 1217 1.00D-06 EigRej= 8.64D-07 NBFU= 1217 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= 1329 1329 1329 1329 1329 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 1 1 -2044.94678384559 -2045.03211053084 -0.085326685255 -2045.03186911304 0.000241417807 -2045.03272562137 -0.000856508330 -2045.03276369107 -0.000038069699 -2045.03277734743 -0.000013656359 -2045.03277891928 -0.000001571850 -2045.03277899951 -0.000000080233 -2045.03277901231 -0.000000012801 -2045.03277901288 -0.000000000568 -2045.03277901331 -0.000000000437 -2045.03277901325 0.000000000064 -2045.03277901 12 2.037823113649e+03 -1.016239002163e+04 3.402262692685e+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. PT57208S Mon Jul 19 10:46:09 2021 GINC-CIBELES2-329 PAULAPLA 19-Jul-2021 0 Single Point difenoconazole_RS CONF131 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-2045.032779 RMSD=5.544e-09 Dipole=-1.2179565,0.6717464,0.6463895 Quadrupole=-12.6419346,7.6917037,4.9502309,15.1942112,3.6341896,4.4142793 PG=C01 [X(C19H17Cl2N3O3)] 0 1.8892910039 0.1461548033 -2.8345064667 0 -7.5406672444 2.1143556515 1.6807396645 0 3.2270636432 0.3949053194 -0.1253816481 0 2.3313831572 -0.681664218 1.6570654747 0 -2.9839230393 0.4003338009 -1.6617764374 0 4.1409558401 -2.3125514222 0.1848424795 0 5.2182160271 -2.1925593042 -0.6347036143 0 5.8642149363 -2.8347240306 1.4388446143 0 2.3177826946 -0.6243212013 0.2391774966 0 3.5945803327 1.170582282 1.0332699184 0 2.8046379624 -1.9927838302 -0.2736142993 0 2.6441700303 0.6373425935 2.1153954251 0 0.9048989517 -0.327516722 -0.2876647764 0 5.0716125704 0.9798051084 1.3394122345 0 0.6254806885 0.0225341204 -1.6175824236 0 -0.1842343608 -0.4355796573 0.5816132809 0 -0.6718188216 0.2805873628 -2.0455779436 0 -1.4916925032 -0.1878605853 0.1780523564 0 -1.7285080859 0.1797418352 -1.1446696468 0 4.5511602018 -2.6939325939 1.4158401491 0 6.2217296913 -2.5169351976 0.1615653672 0 -4.0146130524 0.7955891271 -0.8264140923 0 -5.1958907958 0.0632122201 -0.8636123934 0 -3.9073408992 1.9366719363 -0.0332790438 0 -6.2853195122 0.4696916626 -0.0963289839 0 -4.990636917 2.3406788568 0.7404899535 0 -6.171731094 1.6028186779 0.7030207467 0 3.3813387624 2.2190642375 0.8057869877 0 2.823366342 -1.9934106136 -1.3602435823 0 2.1068378609 -2.75566185 0.0762762972 0 3.1077623124 0.5485704238 3.0976745815 0 1.7311308986 1.239565388 2.18791547 0 5.3774596567 1.643922426 2.1536928311 0 5.2794611782 -0.0516189169 1.6305326509 0 5.6677783337 1.2140097244 0.456015306 0 0.0084398852 -0.728074955 1.6056886207 0 -0.871966062 0.5550313531 -3.072387334 0 -2.3105830417 -0.2831899159 0.8785860111 0 3.8680788738 -2.8374956927 2.2371600446 0 7.2423393585 -2.5293864461 -0.1888493085 0 -5.2538133498 -0.8147119529 -1.4947218935 0 -2.9829969442 2.500909529 -0.0238382548 0 -7.2113441909 -0.0900632766 -0.1162517876 0 -4.923740745 3.2254634149 1.3602549538