Gaussian 16 GINC-ESTREMERA PAULAPLA Optimization pefurazoate CONF128 gas EM64L-G16RevC.01 17-Jan-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 48 48 92 92 688 (5D, 7F) 6-311+G(d,p) 138 138 C1[X(C18H23N3O4)] C1[X(C18H23N3O4)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 322.2102999999998 0 1 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/paulapla/opt-b3lyp-pople.com-3045813/Gau-38260.inp" -scrdir="/temporal/paulapla/opt-b3lyp-pople.com-3045813/" chk=/home/paulapla/almacen/ADAMA/censo_results/pefurazoate/gas/CONF128/opt-b3ly #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4//1 5/5=2,38=5/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization pefurazoate CONF128 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 45 46 47 48 16 16 16 16 14 14 14 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 1 1 1 1 1 1 15.9949146 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 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 2 2 2 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 1 1 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (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 R48 R49 1 1 2 2 3 4 5 5 5 6 6 6 7 7 8 8 8 9 9 9 10 10 10 13 13 13 14 15 15 15 16 16 16 17 17 18 18 18 19 19 20 21 21 22 23 24 24 25 25 11 15 14 22 11 12 8 10 12 12 19 20 20 23 9 11 26 13 27 28 14 29 30 31 32 33 17 16 34 35 18 36 37 21 38 24 39 40 23 41 42 22 43 44 45 25 46 47 48 1.3272 1.4306 1.3512 1.3418 1.198 1.2046 1.4665 1.4623 1.3679 1.4111 1.3796 1.3657 1.2947 1.3691 1.5241 1.533 1.092 1.5231 1.0934 1.0908 1.4902 1.0881 1.0901 1.0915 1.0893 1.0879 1.3567 1.5124 1.0925 1.0934 1.5301 1.0945 1.093 1.425 1.0771 1.4946 1.0937 1.0939 1.3583 1.0764 1.0785 1.3534 1.0772 1.077 1.0782 1.3258 1.0871 1.0813 1.0834 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 A81 A82 A83 A84 11 14 8 8 10 12 12 19 20 5 5 5 9 9 11 8 8 8 13 13 27 5 5 5 14 14 29 1 1 3 4 4 5 9 9 9 31 31 32 2 2 10 1 1 1 16 16 34 15 15 15 18 18 36 14 14 21 16 16 16 24 24 39 6 6 23 6 6 7 17 17 22 2 2 21 7 7 19 18 18 25 24 24 47 1 2 5 5 5 6 6 6 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 15 22 10 12 12 19 20 20 23 9 11 26 11 26 26 13 27 28 27 28 28 14 29 30 29 30 30 3 8 8 5 6 6 31 32 33 32 33 33 10 17 17 16 34 35 34 35 35 18 36 37 36 37 37 21 38 38 24 39 40 39 40 40 23 41 41 7 42 42 22 43 43 21 44 44 19 45 45 25 46 46 47 48 48 118.326 107.76 116.737 121.0574 115.1788 129.3772 124.0059 106.4607 105.6371 112.7554 110.2357 107.6174 112.8729 107.3504 105.5692 112.5283 107.6279 110.9046 109.0399 109.4261 107.1384 114.9617 107.5919 108.0918 109.8929 109.4072 106.5472 124.725 109.588 125.6611 124.9052 119.6705 115.3508 111.4881 110.3156 111.8328 107.3948 108.2009 107.4151 117.1791 109.7154 133.0963 107.7154 108.9805 109.904 111.2338 111.1707 107.8197 113.8114 109.2705 107.8016 110.5363 109.0233 106.0731 106.2266 125.7977 127.9757 111.8847 109.4355 109.8635 109.8559 109.0683 106.5907 105.1974 122.6241 132.0876 111.9519 121.7049 126.339 105.9192 127.5719 126.5079 110.3753 116.6772 132.9475 110.7375 121.5597 127.6982 125.1914 116.0211 118.7838 121.6968 121.711 116.5922 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 15 15 11 11 11 22 22 14 14 10 10 10 12 12 12 8 8 8 12 12 12 8 8 10 10 19 19 20 20 12 12 20 20 12 12 19 19 23 23 20 20 5 5 5 11 11 11 26 26 26 5 5 9 9 26 26 8 8 8 27 27 27 28 28 28 5 5 29 29 30 30 2 2 10 10 1 1 1 34 34 34 35 35 35 15 15 15 36 36 36 37 37 37 14 14 38 38 16 16 39 39 40 40 6 6 41 41 17 17 43 43 18 18 46 46 1 1 1 1 1 2 2 2 2 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 17 17 17 17 18 18 18 18 18 18 19 19 19 19 21 21 21 21 24 24 24 24 11 11 15 15 15 14 14 22 22 8 8 8 8 8 8 10 10 10 10 10 10 12 12 12 12 12 12 12 12 19 19 19 19 20 20 20 20 20 20 23 23 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 17 17 17 17 16 16 16 16 16 16 16 16 16 18 18 18 18 18 18 18 18 18 21 21 21 21 24 24 24 24 24 24 23 23 23 23 22 22 22 22 25 25 25 25 3 8 16 34 35 10 17 21 44 9 11 26 9 11 26 14 29 30 14 29 30 4 6 4 6 4 5 4 5 23 41 23 41 7 42 7 42 6 42 19 45 13 27 28 13 27 28 13 27 28 1 3 1 3 1 3 31 32 33 31 32 33 31 32 33 2 17 2 17 2 17 21 38 21 38 18 36 37 18 36 37 18 36 37 24 39 40 24 39 40 24 39 40 22 43 22 43 25 46 25 46 25 46 7 45 7 45 2 44 2 44 47 48 47 48 6.3349 -175.4272 -178.0477 61.1597 -56.7911 -178.4242 0.617 -0.5748 179.4988 -53.0995 74.0464 -171.2959 157.6435 -75.2106 39.4471 -63.4804 173.7456 59.0436 87.58 -35.194 -149.896 140.7847 -42.3583 -8.9195 167.9375 141.5728 -35.4609 -33.2513 149.7151 -176.2305 0.6873 -0.7031 176.2147 177.0857 -3.6117 1.2557 -179.4418 -1.2402 179.4964 0.7659 -178.5107 -161.6211 -41.4634 75.4315 72.6442 -167.1981 -50.3033 -43.2682 76.8895 -166.2157 56.1828 -125.5997 -176.7366 1.4809 -59.7659 118.4516 57.6856 176.9172 -63.6023 -61.6533 57.5783 177.0588 -178.5422 -59.3105 60.17 107.1008 -71.663 -131.3674 49.8688 -14.7133 166.5229 -0.4201 179.6138 178.4117 -1.5544 67.499 -56.59 -171.4439 -173.1325 62.7785 -52.0754 -52.9633 -177.0524 68.0937 -177.7026 60.2995 -56.4067 -54.2996 -176.2975 66.9962 61.9249 -60.073 -176.7792 0.0684 179.7214 -179.9665 -0.3135 -114.2335 65.0527 7.523 -173.1908 124.0124 -56.7014 -0.0166 179.2044 -176.5181 2.7028 0.3109 -179.7788 -179.3469 0.5634 179.4285 -0.6885 0.1604 -179.9566 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 0.10000e-02 0.10000e-05 F 713 A 688 A 1084 713 2389.0274791136 48 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= 688 RedAO= T EigKep= 2.03D-06 NBF= 688 NBsUse= 688 1.00D-06 EigRej= -1.00D+00 NBFU= 688 Berny optimization. local minimum Step number 26 out of a maximum of 258 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00101 0.00268 0.00346 0.00387 0.00488 0.00540 0.00661 0.00883 0.00926 0.01033 0.01415 0.01502 0.01763 0.01877 0.02089 0.02170 0.02195 0.02294 0.02416 0.02443 0.02516 0.02582 0.02649 0.02958 0.03054 0.03071 0.03232 0.03317 0.03511 0.03754 0.03898 0.04302 0.04694 0.04895 0.04943 0.05032 0.05269 0.05422 0.05466 0.05521 0.05554 0.05643 0.05691 0.05925 0.06810 0.07676 0.08296 0.08460 0.09393 0.10220 0.11373 0.12128 0.12272 0.12864 0.13544 0.13733 0.15417 0.15757 0.15925 0.15964 0.15994 0.15998 0.16000 0.16002 0.16005 0.16017 0.16045 0.16095 0.20104 0.20418 0.21492 0.21853 0.21977 0.22040 0.22175 0.22323 0.22543 0.23380 0.23626 0.23947 0.24239 0.24585 0.24903 0.25464 0.26846 0.28423 0.29063 0.29473 0.29938 0.30519 0.31214 0.32810 0.32871 0.33145 0.33447 0.34312 0.34354 0.34385 0.34418 0.34440 0.34484 0.34647 0.34679 0.34730 0.34876 0.34919 0.35041 0.35102 0.35158 0.35547 0.35613 0.35838 0.36175 0.36283 0.36330 0.36339 0.36362 0.36602 0.37252 0.38285 0.39952 0.42689 0.43934 0.44882 0.46515 0.47228 0.48419 0.50769 0.51360 0.52946 0.54080 0.55055 0.59100 0.60635 0.62350 0.65381 1.02220 1.04574 -3.72259112e-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 R48 R49 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 A81 A82 A83 A84 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 2.53490 2.74256 2.59049 2.57079 2.27607 2.29357 2.80393 2.80047 2.60266 2.69447 2.63060 2.60347 2.46756 2.61537 2.89288 2.91659 2.05851 2.89544 2.06845 2.06369 2.82026 2.05589 2.05814 2.06889 2.06446 2.06179 2.57408 2.86739 2.06472 2.06492 2.90957 2.07012 2.06926 2.70787 2.03702 2.83697 2.07099 2.06981 2.58081 2.03368 2.03661 2.57011 2.03809 2.03449 2.03860 2.51521 2.05742 2.04891 2.05323 2.05889 1.87164 2.03724 2.11687 1.99473 2.27375 2.15156 1.85710 1.84244 1.96885 1.93163 1.87189 1.96008 1.89373 1.82969 1.95820 1.87998 1.91310 1.91669 1.91215 1.88197 1.99655 1.86222 1.88794 1.92205 1.90382 1.88809 2.17993 1.90785 2.19455 2.17491 2.08473 2.02298 1.94204 1.92722 1.93638 1.88038 1.89320 1.88259 2.03525 1.91557 2.33145 1.86802 1.87993 1.89766 1.96276 1.95916 1.89367 1.97088 1.90057 1.88943 1.92504 1.91272 1.86167 1.85793 2.18171 2.24348 1.96417 1.90589 1.89648 1.92085 1.90238 1.87161 1.83856 2.12840 2.31459 1.95387 2.11068 2.21854 1.85410 2.22557 2.20351 1.92552 2.02552 2.33213 1.93258 2.11919 2.23130 2.18424 2.01937 2.07957 2.12399 2.12054 2.03861 0.08014 -3.10376 -2.93597 1.23281 -0.81595 -3.09567 0.00617 -0.00587 3.13216 -0.90492 1.30780 -2.98902 2.80108 -1.26938 0.71698 -1.10428 3.04896 1.02114 1.51196 -0.61798 -2.64580 2.47845 -0.69962 -0.11140 2.99372 2.48976 -0.61736 -0.60355 2.57252 -3.10914 -0.02179 -0.00963 3.07772 3.12259 -0.03302 0.01940 -3.13621 -0.02037 3.13630 0.01388 -3.11226 -2.83002 -0.71851 1.32470 1.25567 -2.91601 -0.87280 -0.75860 1.35290 -2.88707 0.98880 -2.19554 -3.07683 0.02203 -1.02410 2.07475 1.03347 3.12073 -1.07610 -1.05675 1.03051 3.11687 -3.12070 -1.03344 1.05292 1.85347 -1.23645 -2.33281 0.86045 -0.26323 2.93003 -0.00410 -3.13376 3.08842 -0.04124 1.14336 -1.00123 -3.01884 -3.07871 1.05989 -0.95773 -0.93739 -3.08197 1.18359 -3.07077 1.07391 -0.96226 -0.93987 -3.07837 1.16864 1.10464 -1.03386 -3.07003 0.00048 3.13797 3.12958 -0.01612 -1.96525 1.17461 0.16480 -2.97852 2.21281 -0.93051 -0.00229 3.12260 -3.08132 0.04356 0.00334 -3.13384 -3.13421 0.01180 3.13788 -0.01431 -0.00193 3.12907 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 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00002 0.00000 0.00002 -0.00003 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00001 -0.00003 -0.00000 0.00002 -0.00001 0.00000 0.00001 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00003 0.00002 0.00001 0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 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 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00002 0.00000 -0.00000 0.00002 0.00000 0.00001 0.00001 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -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 -0.00001 -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 -0.00001 -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 -0.00001 -0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 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 0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00026 -0.00026 -0.00026 -0.00001 0.00000 -0.00001 -0.00001 -0.00003 -0.00002 -0.00003 -0.00004 -0.00003 -0.00004 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00002 0.00005 0.00006 -0.00003 -0.00002 -0.00007 -0.00008 0.00000 -0.00001 0.00006 0.00006 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00002 0.00001 0.00002 0.00002 0.00001 0.00002 0.00001 0.00001 0.00001 0.00006 0.00005 0.00007 0.00006 0.00007 0.00007 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00005 0.00003 0.00005 0.00003 0.00005 0.00003 0.00000 0.00001 0.00002 0.00003 0.00004 0.00005 0.00005 0.00004 0.00005 0.00005 0.00004 0.00005 0.00005 0.00010 0.00009 0.00010 0.00008 0.00008 0.00009 0.00009 0.00008 0.00009 -0.00001 0.00001 -0.00001 0.00001 0.00002 0.00001 0.00003 0.00001 0.00002 0.00001 -0.00000 -0.00001 0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00001 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00002 -0.00002 0.00001 -0.00001 0.00000 0.00000 0.00001 0.00002 -0.00001 -0.00001 0.00002 -0.00001 0.00003 -0.00001 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 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 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00001 -0.00004 -0.00001 -0.00002 0.00003 0.00001 0.00001 0.00002 -0.00007 -0.00002 0.00005 -0.00003 0.00004 0.00004 -0.00004 -0.00001 -0.00004 0.00003 0.00000 -0.00003 0.00001 0.00002 0.00001 0.00001 -0.00001 -0.00000 -0.00001 0.00001 0.00002 0.00000 -0.00002 -0.00001 -0.00000 0.00001 -0.00000 0.00001 -0.00001 0.00001 -0.00001 0.00000 0.00001 -0.00004 0.00001 0.00002 -0.00000 0.00000 -0.00000 0.00002 -0.00002 -0.00000 0.00001 -0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00001 0.00002 -0.00001 0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00001 0.00002 -0.00003 -0.00000 0.00000 -0.00000 0.00001 0.00001 -0.00002 0.00000 -0.00000 -0.00000 0.00007 0.00006 -0.00011 -0.00012 -0.00011 0.00001 0.00001 -0.00006 -0.00005 0.00004 0.00007 0.00007 0.00014 0.00017 0.00018 0.00018 0.00019 0.00019 0.00008 0.00008 0.00008 0.00000 -0.00006 0.00010 0.00004 0.00003 0.00009 -0.00032 -0.00026 -0.00032 -0.00029 -0.00001 0.00001 0.00029 0.00028 0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00003 0.00025 0.00020 0.00018 0.00028 0.00023 0.00021 0.00022 0.00017 0.00015 0.00008 0.00007 0.00010 0.00008 0.00011 0.00010 0.00002 0.00000 0.00000 0.00006 0.00005 0.00005 0.00006 0.00005 0.00005 -0.00011 -0.00011 -0.00011 -0.00011 -0.00012 -0.00012 0.00004 0.00003 0.00004 0.00003 -0.00003 -0.00004 -0.00003 -0.00006 -0.00007 -0.00006 -0.00005 -0.00005 -0.00005 -0.00031 -0.00031 -0.00031 -0.00029 -0.00029 -0.00029 -0.00029 -0.00029 -0.00029 -0.00007 0.00000 -0.00006 0.00002 -0.00029 -0.00031 -0.00029 -0.00031 -0.00030 -0.00031 0.00001 -0.00003 -0.00001 -0.00005 0.00008 0.00007 0.00001 -0.00001 0.00000 0.00002 0.00002 0.00004 -0.00000 -0.00000 0.00002 -0.00002 0.00001 -0.00001 0.00000 0.00000 0.00001 0.00002 -0.00001 -0.00001 0.00002 -0.00001 0.00003 -0.00001 0.00000 0.00001 0.00000 -0.00001 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 0.00001 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 -0.00004 -0.00001 -0.00002 0.00002 0.00001 0.00001 0.00003 -0.00008 -0.00003 0.00006 -0.00003 0.00004 0.00004 -0.00004 -0.00000 -0.00004 0.00003 0.00001 -0.00002 0.00001 0.00002 0.00000 0.00000 -0.00001 -0.00000 -0.00002 0.00002 0.00002 -0.00000 -0.00002 -0.00002 -0.00000 0.00002 -0.00000 0.00001 -0.00001 0.00001 -0.00001 0.00001 0.00001 -0.00004 0.00001 0.00002 0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00001 -0.00000 0.00001 -0.00001 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00002 -0.00001 0.00001 -0.00000 -0.00001 0.00001 0.00000 0.00001 0.00002 -0.00003 -0.00000 0.00000 -0.00000 0.00001 0.00001 -0.00002 0.00000 -0.00000 -0.00000 0.00007 0.00005 -0.00038 -0.00038 -0.00037 -0.00000 0.00002 -0.00007 -0.00005 0.00001 0.00005 0.00005 0.00010 0.00015 0.00014 0.00018 0.00018 0.00018 0.00008 0.00008 0.00008 -0.00000 -0.00007 0.00009 0.00002 0.00008 0.00014 -0.00035 -0.00029 -0.00038 -0.00037 -0.00001 0.00000 0.00035 0.00034 0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00003 0.00026 0.00021 0.00019 0.00029 0.00024 0.00023 0.00023 0.00017 0.00016 0.00014 0.00012 0.00016 0.00015 0.00018 0.00017 0.00001 -0.00001 -0.00001 0.00006 0.00004 0.00004 0.00006 0.00004 0.00004 -0.00006 -0.00008 -0.00006 -0.00008 -0.00007 -0.00009 0.00004 0.00003 0.00006 0.00005 0.00001 0.00002 0.00002 -0.00002 -0.00002 -0.00001 -0.00001 -0.00000 0.00000 -0.00021 -0.00022 -0.00021 -0.00021 -0.00021 -0.00020 -0.00021 -0.00021 -0.00021 -0.00008 0.00001 -0.00007 0.00002 -0.00027 -0.00030 -0.00027 -0.00030 -0.00027 -0.00030 0.00001 -0.00003 -0.00000 -0.00004 0.00009 0.00007 -0.00000 -0.00002 -0.00001 0.00001 0.00003 0.00005 2.53489 2.74256 2.59051 2.57077 2.27608 2.29357 2.80393 2.80047 2.60267 2.69449 2.63059 2.60346 2.46758 2.61536 2.89291 2.91658 2.05851 2.89545 2.06845 2.06369 2.82026 2.05589 2.05814 2.06889 2.06446 2.06178 2.57409 2.86740 2.06472 2.06493 2.90956 2.07012 2.06926 2.70787 2.03702 2.83698 2.07099 2.06981 2.58082 2.03368 2.03661 2.57012 2.03809 2.03449 2.03860 2.51521 2.05743 2.04891 2.05323 2.05888 1.87164 2.03724 2.11683 1.99472 2.27373 2.15158 1.85711 1.84245 1.96888 1.93156 1.87186 1.96015 1.89370 1.82974 1.95825 1.87995 1.91310 1.91665 1.91218 1.88197 1.99653 1.86223 1.88796 1.92205 1.90382 1.88808 2.17993 1.90783 2.19457 2.17493 2.08472 2.02296 1.94202 1.92722 1.93640 1.88038 1.89321 1.88258 2.03526 1.91555 2.33145 1.86802 1.87989 1.89767 1.96278 1.95916 1.89367 1.97088 1.90057 1.88942 1.92503 1.91273 1.86167 1.85794 2.18170 2.24348 1.96418 1.90589 1.89647 1.92085 1.90238 1.87161 1.83856 2.12838 2.31461 1.95386 2.11069 2.21854 1.85410 2.22558 2.20351 1.92553 2.02555 2.33210 1.93258 2.11919 2.23129 2.18425 2.01939 2.07955 2.12400 2.12054 2.03860 0.08020 -3.10371 -2.93635 1.23243 -0.81632 -3.09567 0.00618 -0.00594 3.13211 -0.90491 1.30785 -2.98897 2.80118 -1.26924 0.71712 -1.10410 3.04914 1.02132 1.51204 -0.61790 -2.64572 2.47845 -0.69968 -0.11131 2.99374 2.48984 -0.61722 -0.60389 2.57224 -3.10952 -0.02216 -0.00964 3.07772 3.12294 -0.03268 0.01940 -3.13621 -0.02037 3.13631 0.01387 -3.11222 -2.82975 -0.71830 1.32489 1.25597 -2.91577 -0.87257 -0.75838 1.35307 -2.88692 0.98894 -2.19541 -3.07666 0.02217 -1.02392 2.07492 1.03348 3.12072 -1.07611 -1.05669 1.03055 3.11691 -3.12064 -1.03340 1.05296 1.85341 -1.23654 -2.33287 0.86037 -0.26330 2.92994 -0.00406 -3.13372 3.08848 -0.04119 1.14337 -1.00121 -3.01882 -3.07873 1.05987 -0.95774 -0.93740 -3.08198 1.18360 -3.07099 1.07370 -0.96247 -0.94008 -3.07858 1.16843 1.10443 -1.03407 -3.07024 0.00040 3.13798 3.12951 -0.01610 -1.96552 1.17430 0.16454 -2.97882 2.21254 -0.93082 -0.00228 3.12257 -3.08133 0.04352 0.00343 -3.13376 -3.13421 0.01178 3.13787 -0.01429 -0.00190 3.12912 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000027 0.000005 0.001717 0.000391 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.859927e-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 R48 R49 1 1 2 2 3 4 5 5 5 6 6 6 7 7 8 8 8 9 9 9 10 10 10 13 13 13 14 15 15 15 16 16 16 17 17 18 18 18 19 19 20 21 21 22 23 24 24 25 25 11 15 14 22 11 12 8 10 12 12 19 20 20 23 9 11 26 13 27 28 14 29 30 31 32 33 17 16 34 35 18 36 37 21 38 24 39 40 23 41 42 22 43 44 45 25 46 47 48 1.3414 1.4513 1.3708 1.3604 1.2044 1.2137 1.4838 1.4819 1.3773 1.4259 1.3921 1.3777 1.3058 1.384 1.5308 1.5434 1.0893 1.5322 1.0946 1.0921 1.4924 1.0879 1.0891 1.0948 1.0925 1.0911 1.3621 1.5174 1.0926 1.0927 1.5397 1.0955 1.095 1.4329 1.0779 1.5013 1.0959 1.0953 1.3657 1.0762 1.0777 1.36 1.0785 1.0766 1.0788 1.331 1.0887 1.0842 1.0865 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 A81 A82 A83 A84 11 14 8 8 10 12 12 19 20 5 5 5 9 9 11 8 8 8 13 13 27 5 5 5 14 14 29 1 1 3 4 4 5 9 9 9 31 31 32 2 2 10 1 1 1 16 16 34 15 15 15 18 18 36 14 14 21 16 16 16 24 24 39 6 6 23 6 6 7 17 17 22 2 2 21 7 7 19 18 18 25 24 24 47 1 2 5 5 5 6 6 6 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 15 22 10 12 12 19 20 20 23 9 11 26 11 26 26 13 27 28 27 28 28 14 29 30 29 30 30 3 8 8 5 6 6 31 32 33 32 33 33 10 17 17 16 34 35 34 35 35 18 36 37 36 37 37 21 38 38 24 39 40 39 40 40 23 41 41 7 42 42 22 43 43 21 44 44 19 45 45 25 46 46 47 48 48 117.9655 107.237 116.7253 121.2878 114.2894 130.2763 123.2752 106.4041 105.5641 112.8067 110.6744 107.2512 112.3046 108.5028 104.8338 112.1967 107.7152 109.6128 109.8184 109.5579 107.8288 114.3939 106.6971 108.1709 110.1253 109.0806 108.1796 124.9009 109.3117 125.7384 124.6131 119.4461 115.9084 111.2705 110.4218 110.9465 107.7379 108.4721 107.8643 116.6114 109.7538 133.5822 107.0294 107.7122 108.728 112.458 112.2516 108.4992 112.9232 108.8944 108.2565 110.2968 109.5907 106.6661 106.4516 125.0025 128.5418 112.5389 109.1996 108.6602 110.0566 108.9986 107.2356 105.3417 121.9481 132.6164 111.9483 120.9329 127.1132 106.2322 127.5157 126.2516 110.3241 116.054 133.6214 110.7288 121.4204 127.8438 125.1477 115.7017 119.1506 121.6959 121.498 116.8035 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 15 15 11 11 11 22 22 14 14 10 10 10 12 12 12 8 8 8 12 12 12 8 8 10 10 19 19 20 20 12 12 20 20 12 12 19 19 23 23 20 20 5 5 5 11 11 11 26 26 26 5 5 9 9 26 26 8 8 8 27 27 27 28 28 28 5 5 29 29 30 30 2 2 10 10 1 1 1 34 34 34 35 35 35 15 15 15 36 36 36 37 37 37 14 14 38 38 16 16 39 39 40 40 6 6 41 41 17 17 43 43 18 18 46 1 1 1 1 1 2 2 2 2 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 17 17 17 17 18 18 18 18 18 18 19 19 19 19 21 21 21 21 24 24 24 11 11 15 15 15 14 14 22 22 8 8 8 8 8 8 10 10 10 10 10 10 12 12 12 12 12 12 12 12 19 19 19 19 20 20 20 20 20 20 23 23 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 17 17 17 17 16 16 16 16 16 16 16 16 16 18 18 18 18 18 18 18 18 18 21 21 21 21 24 24 24 24 24 24 23 23 23 23 22 22 22 22 25 25 25 3 8 16 34 35 10 17 21 44 9 11 26 9 11 26 14 29 30 14 29 30 4 6 4 6 4 5 4 5 23 41 23 41 7 42 7 42 6 42 19 45 13 27 28 13 27 28 13 27 28 1 3 1 3 1 3 31 32 33 31 32 33 31 32 33 2 17 2 17 2 17 21 38 21 38 18 36 37 18 36 37 18 36 37 24 39 40 24 39 40 24 39 40 22 43 22 43 25 46 25 46 25 46 7 45 7 45 2 44 2 44 47 48 47 4.5914 -177.8322 -168.2185 70.635 -46.7507 -177.3688 0.3533 -0.3365 179.4598 -51.8479 74.9316 -171.2582 160.4902 -72.7304 41.0798 -63.2705 174.6928 58.5073 86.6292 -35.4075 -151.593 142.005 -40.085 -6.3826 171.5273 142.6525 -35.3723 -34.5806 147.3946 -178.1406 -1.2485 -0.5518 176.3403 178.9111 -1.8918 1.1113 -179.6916 -1.167 179.6967 0.795 -178.3193 -162.1481 -41.1679 75.8994 71.9448 -167.075 -50.0077 -43.4647 77.5155 -165.4172 56.6538 -125.7951 -176.2891 1.262 -58.6768 118.8743 59.2134 178.8044 -61.656 -60.5472 59.0438 178.5834 -178.8029 -59.2119 60.3277 106.1963 -70.8436 -133.66 49.3002 -15.0817 167.8784 -0.2349 -179.5509 176.9532 -2.3628 65.5097 -57.366 -172.9669 -176.3972 60.7271 -54.8738 -53.7085 -176.5841 67.8149 -175.9423 61.5306 -55.1335 -53.8508 -176.3779 66.958 63.2912 -59.2359 -175.9 0.0278 179.7924 179.3115 -0.9239 -112.6007 67.3 9.4426 -170.6567 126.7848 -53.3145 -0.1309 178.9119 -176.5468 2.496 0.1915 -179.5557 -179.577 0.6759 179.787 -0.8197 -0.1105 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0603204894 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 3.980140 0.000000 2.237919 3.084373 0.000000 3.414271 4.589405 4.984363 0.000000 2.778111 3.400413 3.449693 2.282103 0.000000 3.192365 5.590113 4.827176 2.263833 2.348427 0.000000 4.499879 7.655442 6.348553 4.068504 4.516401 2.205321 0.000000 2.340045 3.533637 2.434481 3.520590 1.466507 2.877877 4.701653 0.000000 3.694367 3.609651 2.856675 4.763783 2.490509 4.161599 5.938500 1.524110 0.000000 3.595930 2.426141 3.785954 2.706106 1.462323 3.661673 5.860094 2.493721 2.973572 0.000000 1.327224 3.236563 1.198022 3.921632 2.460870 3.633520 5.212015 1.532988 2.547403 3.128725 0.000000 2.845092 4.382002 4.282424 1.204597 1.367904 1.411059 3.546789 2.468121 3.744597 2.389894 3.143997 0.000000 4.321261 4.793182 3.201506 6.015385 3.817665 4.993732 6.372773 2.534096 1.523118 4.474768 3.177716 4.909366 0.000000 3.371135 1.351221 3.309680 3.271053 2.489679 4.529797 6.618500 3.086824 3.627913 1.490237 2.970708 3.219079 4.985282 0.000000 1.430646 4.475456 2.705285 4.331324 4.093480 4.420115 5.416878 3.694360 4.911310 4.655430 2.368581 4.053506 5.407849 4.024216 0.000000 2.377128 5.676910 4.174679 4.365586 4.812974 4.473005 4.990999 4.683373 6.071430 5.486023 3.627403 4.329380 6.600898 4.977303 1.512362 0.000000 3.393209 2.214342 3.773397 3.296727 3.334600 4.889208 6.784762 3.957300 4.777498 2.612313 3.449079 3.603081 6.032518 1.356707 3.617519 4.338297 0.000000 2.989647 6.808670 4.850485 4.975582 5.343026 4.409423 4.263696 5.046808 6.443345 6.317430 4.206090 4.742014 6.732850 6.088048 2.548882 1.530066 5.650568 0.000000 4.052703 6.308104 5.316551 3.505878 2.960802 1.379641 2.244148 3.130648 4.061347 4.337789 4.199551 2.522822 4.624928 5.407047 5.366988 5.544203 5.994192 5.244362 0.000000 3.595448 6.586550 5.576249 2.841597 3.584362 1.365716 1.294704 3.996932 5.375281 4.823443 4.402107 2.451905 6.055770 5.477452 4.520917 4.127049 5.551025 3.762314 2.199180 0.000000 4.037909 2.212861 3.836679 4.696098 4.475303 6.128147 7.954358 4.769750 5.376663 3.704455 3.945307 4.911085 6.465248 2.225282 3.878984 4.775327 1.425035 6.196863 7.179770 6.753854 0.000000 4.320758 1.341785 3.418093 5.268380 4.448185 6.430071 8.373364 4.510583 4.737611 3.568832 3.797279 5.229639 5.754154 2.175374 4.379089 5.553526 2.218230 6.851018 7.285095 7.251599 1.353442 0.000000 4.729755 7.510532 6.208728 4.366125 4.215908 2.175062 1.369054 4.265379 5.243985 5.614578 5.103556 3.561306 5.572381 6.582066 5.875579 5.777661 7.015836 5.136838 1.358301 2.122761 8.186545 8.395711 0.000000 4.313194 8.008688 6.298967 5.540567 6.376429 5.078117 4.455277 6.295437 7.750382 7.339010 5.589204 5.525613 8.102364 7.156705 3.866628 2.505970 6.578730 1.494639 5.945298 4.091781 7.198106 8.014632 5.594347 0.000000 5.473807 9.169344 7.307126 6.858605 7.669111 6.346037 5.494970 7.498153 8.912647 8.631308 6.709971 6.845993 9.141281 8.383954 4.856953 3.529269 7.751492 2.505096 7.123805 5.307590 8.248925 9.079201 6.641590 1.325753 0.000000 2.550121 4.614863 3.066414 3.784097 2.076666 2.439202 3.908366 1.092019 2.123226 3.391552 2.107414 2.614647 2.617502 4.091247 3.931048 4.708577 4.834408 4.731595 2.373831 3.447869 5.700468 5.537328 3.358961 5.923472 7.087942 0.000000 4.458062 4.135824 3.909128 4.799291 2.582825 4.164986 5.973398 2.127834 1.093374 3.003351 3.458190 3.788956 2.145207 4.016249 5.767996 6.806516 5.252906 7.130149 3.871915 5.476578 6.004800 5.389512 5.125697 8.342269 9.547007 2.536882 0.000000 3.986135 2.816426 2.702969 5.078002 2.885663 4.914306 6.819783 2.167724 1.090760 2.841724 2.736905 4.230512 2.148196 3.181302 5.023304 6.310291 4.394737 6.899966 5.006154 6.122957 4.784460 3.946584 6.225813 8.242064 9.401364 3.033266 1.757299 0.000000 4.319046 3.202548 4.816620 2.405555 2.069830 3.795137 5.956244 3.391042 3.926318 1.088113 4.080433 2.478220 5.434263 2.123275 5.331767 5.941123 2.913998 6.777921 4.543037 4.883533 4.152056 4.224201 5.780439 7.629925 8.943772 4.135686 3.749856 3.857309 0.000000 4.322943 2.492093 4.022937 3.706439 2.077706 4.346270 6.530856 2.729030 2.603240 1.090133 3.564242 3.240929 4.108676 2.118681 5.422031 6.394428 3.427072 7.170816 4.741523 5.614650 4.277288 3.804505 6.081641 8.269144 9.549583 3.654203 2.437513 2.305162 1.745864 0.000000 4.505525 5.645586 3.848176 6.093442 4.034481 4.691847 5.772023 2.787359 2.174710 4.963745 3.585862 4.915075 1.091542 5.637488 5.661819 6.682314 6.625483 6.576225 4.078155 5.662531 7.196470 6.620605 4.860630 7.868286 8.875410 2.422663 2.509933 3.066468 5.829956 4.701768 0.000000 5.354923 5.239358 4.019103 6.874917 4.615978 5.928823 7.332282 3.474812 2.158393 5.071060 4.150811 5.791371 1.089338 5.605477 6.406287 7.648982 6.748164 7.814277 5.466467 7.048228 7.098490 6.231331 6.434697 9.190465 10.221245 3.632706 2.465421 2.480976 6.001557 4.494898 1.757575 0.000000 4.064571 4.767539 2.627926 6.336650 4.251637 5.392658 6.671444 2.836539 2.176200 4.878202 2.917854 5.284567 1.087888 5.086720 4.925076 6.202855 5.981785 6.354933 5.189652 6.317170 6.224767 5.514049 6.033880 7.791621 8.747961 2.961514 3.064512 2.508145 5.910988 4.638684 1.765441 1.754858 0.000000 2.063271 3.863570 2.750455 4.453727 4.263694 5.012569 6.259634 4.029543 5.111178 4.473051 2.665262 4.352991 5.764519 3.528404 1.092523 2.162794 2.914103 3.493805 6.041961 5.241407 2.907149 3.517806 6.693962 4.664209 5.623008 4.517660 5.970894 4.995913 5.129080 5.234767 6.192263 6.680073 5.278709 0.000000 2.075407 4.981485 2.635471 5.322010 4.788421 5.115657 5.930833 4.079820 5.112256 5.404063 2.650265 4.899282 5.310969 4.771433 1.093384 2.162662 4.491142 2.766800 5.875655 5.207970 4.530578 4.827333 6.306125 4.176095 4.965453 4.222963 6.070035 5.226087 6.189957 6.038807 5.557514 6.279149 4.643831 1.766412 0.000000 2.589447 5.538011 4.585468 3.568156 4.477921 4.056509 4.709117 4.687071 6.143091 5.065071 3.865864 3.782412 6.887057 4.631315 2.139597 1.094541 3.892810 2.171200 5.285718 3.678200 4.564046 5.486274 5.574127 2.724261 3.889464 4.773038 6.748193 6.377700 5.338776 6.066159 6.971105 7.926881 6.639716 2.508302 3.058945 0.000000 3.309365 6.189834 4.796731 5.237631 5.775017 5.543610 5.989118 5.643746 6.969155 6.298841 4.454923 5.325247 7.469944 5.594272 2.119573 1.092994 4.769820 2.150803 6.635249 5.145692 4.956342 5.835403 6.837768 2.759123 3.457706 5.738720 7.755210 7.104520 6.738257 7.209564 7.614808 8.492182 6.976425 2.417594 2.520838 1.747883 0.000000 3.493631 3.251155 4.441319 2.737241 3.506280 4.587950 6.334875 4.334019 5.375155 3.012684 3.899811 3.351717 6.641666 2.170353 3.669072 4.006279 1.077133 5.300978 5.828747 5.054268 2.253871 3.266809 6.734611 6.025599 7.211238 5.051986 5.771882 5.164935 3.026404 3.993574 7.099801 7.436039 6.633082 3.097094 4.680060 3.328626 4.435744 0.000000 3.419438 7.198869 4.884516 5.910414 5.977220 5.198559 4.991702 5.436052 6.702257 6.955874 4.454963 5.558286 6.770542 6.652769 2.799465 2.156623 6.267314 1.093728 5.874443 4.644656 6.631407 7.171037 5.734435 2.130886 2.634388 5.092473 7.484115 7.140746 7.533169 7.724615 6.612142 7.824570 6.248815 3.763699 2.573228 3.068132 2.476245 6.056806 0.000000 2.659976 6.613674 4.603149 4.493575 4.683397 3.517299 3.298717 4.353450 5.753815 5.826873 3.788417 4.069099 6.019287 5.842329 2.776597 2.162206 5.626565 1.093903 4.218179 2.900178 6.341370 6.869173 4.074212 2.121051 3.215538 3.873890 6.354652 6.343661 6.291430 6.624989 5.748771 7.107284 5.766382 3.806180 3.044692 2.551347 3.057389 5.313605 1.753883 0.000000 4.459156 6.099716 5.300480 3.925414 2.849763 2.159469 3.300919 2.944832 3.491196 4.108400 4.283185 2.861123 4.060965 5.330178 5.858307 6.261175 6.135477 6.081322 1.076402 3.227229 7.282871 7.204749 2.227911 6.906013 8.093182 2.303210 3.080522 4.467433 4.364523 4.268964 3.529082 4.762599 4.805423 6.441715 6.318215 6.034366 7.349782 6.122546 6.640670 5.069406 0.000000 3.587794 6.614299 5.747787 2.712614 3.977178 2.139298 2.119984 4.499885 5.969735 5.028023 4.617505 2.734138 6.734969 5.445900 4.230534 3.553608 5.255367 3.332412 3.227836 1.078522 6.428226 7.110753 3.175931 3.439430 4.687462 4.129530 6.165579 6.589204 5.018223 5.949959 6.454113 7.756652 6.887949 4.876300 5.024453 2.931595 4.475280 4.603667 4.348095 2.733075 4.209182 0.000000 4.632412 3.250988 4.549004 5.388154 5.429057 6.882083 8.565303 5.699015 6.376557 4.730166 4.723476 5.718084 7.389021 3.272144 4.154280 4.871647 2.250174 6.371011 8.005960 7.353365 1.077248 2.174187 8.926187 7.263371 8.206537 6.568249 7.047488 5.797543 5.099819 5.346341 8.104518 8.044557 7.055602 3.086403 4.756096 4.691849 4.814066 2.744691 6.764931 6.688920 8.196561 6.898909 0.000000 5.091156 2.063456 3.798066 6.321030 5.332703 7.364345 9.284532 5.208669 5.208311 4.467610 4.439232 6.211825 6.046351 3.172526 5.045852 6.305327 3.286472 7.580456 8.138605 8.205295 2.231131 1.076982 9.253699 8.798103 9.798310 6.231105 5.907231 4.301003 5.170446 4.520227 6.998629 6.393683 5.707426 4.175612 5.305702 6.360585 6.501059 4.319165 7.779139 7.636970 7.996784 8.094904 2.729224 0.000000 5.647318 8.411540 6.975111 5.418679 5.128239 3.230033 2.140588 5.044414 5.837846 6.525968 5.932761 4.589669 5.957493 7.547398 6.777593 6.689690 8.045687 5.904885 2.190605 3.146112 9.192558 9.334980 1.078237 6.308762 7.239052 4.061602 5.651402 6.878069 6.708569 6.888765 5.103486 6.732938 6.458180 7.641271 7.104255 6.561476 7.733581 7.799091 6.392186 4.832528 2.739937 4.161382 9.947748 10.153994 0.000000 4.516827 8.030064 6.663203 5.009691 6.184887 4.714366 4.050516 6.344318 7.849461 7.115151 5.820905 5.157499 8.360717 7.037188 4.269927 2.874222 6.435694 2.200285 5.670807 3.606850 7.214686 8.108112 5.307800 1.087071 2.080198 5.990305 8.327051 8.357969 7.255653 8.095217 8.114451 9.446783 8.176003 4.976153 4.800819 2.656719 3.237831 5.744410 3.081879 2.517553 6.676710 2.789444 7.313208 8.977947 6.075407 0.000000 6.403958 10.033828 8.317242 7.414823 8.444209 6.976051 5.945051 8.388127 9.834472 9.391668 7.671493 7.510494 10.113299 9.177110 5.820058 4.414550 8.486703 3.489629 7.761346 5.824259 9.030620 9.937489 7.180738 2.105554 1.081328 7.961156 10.414231 10.340105 9.610463 10.345839 9.814488 11.197781 9.765576 6.529390 6.002653 4.597451 4.285703 7.851208 3.712243 4.117356 8.775364 5.136427 8.944310 10.690594 7.739904 2.417562 0.000000 5.701461 9.403949 7.295353 7.548462 8.108693 6.939244 6.145328 7.756210 9.088837 9.074928 6.845838 7.429229 9.167742 8.751006 4.956638 3.817660 8.150192 2.772883 7.636338 6.005973 8.504358 9.250867 7.175739 2.107445 1.083396 7.344090 9.806241 9.552055 9.495217 9.938645 8.917236 10.225053 8.665325 5.737479 4.828650 4.425780 3.622926 7.725923 2.449912 3.547245 8.550316 5.487822 8.430637 9.876106 7.716827 3.059952 1.841694 0.000000 C18H23N3O4 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2814505 0.1891719 0.1506067 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 4.037848 0.000000 2.258071 3.112577 0.000000 3.464905 4.594793 5.023874 0.000000 2.811073 3.411270 3.485339 2.295432 0.000000 3.115962 5.595276 4.812787 2.282029 2.376137 0.000000 4.330123 7.630936 6.265207 4.099436 4.555261 2.224387 0.000000 2.356012 3.533786 2.450368 3.556965 1.483775 2.905495 4.724465 0.000000 3.712354 3.577924 2.861835 4.797810 2.511174 4.231860 6.025530 1.530845 0.000000 3.660331 2.437068 3.841490 2.702416 1.481943 3.702417 5.909357 2.524968 2.993837 0.000000 1.341410 3.260313 1.204443 3.961620 2.490119 3.610313 5.132578 1.543395 2.553231 3.179165 0.000000 2.854096 4.386212 4.303684 1.213707 1.377271 1.425855 3.575917 2.494205 3.782249 2.402535 3.160789 0.000000 4.325690 4.762890 3.186567 6.063748 3.845214 5.068726 6.465570 2.542319 1.532202 4.504407 3.171962 4.956553 0.000000 3.436273 1.370828 3.356334 3.259161 2.500069 4.528419 6.594445 3.103528 3.627048 1.492418 3.010888 3.213117 4.991804 0.000000 1.451303 4.591833 2.728503 4.421124 4.161322 4.346468 5.180820 3.729494 4.942987 4.766900 2.394058 4.091649 5.406465 4.148954 0.000000 2.387156 5.897314 4.179637 4.590928 4.927671 4.381873 4.623772 4.706960 6.086480 5.691295 3.639808 4.434575 6.534649 5.225254 1.517359 0.000000 3.440279 2.235353 3.790553 3.287361 3.344280 4.856707 6.702297 3.964509 4.769848 2.624057 3.465555 3.589036 6.026084 1.362145 3.732753 4.633832 0.000000 2.960967 6.913975 4.728001 5.247798 5.390051 4.340998 3.947293 4.960284 6.312933 6.445343 4.115326 4.854317 6.491293 6.254001 2.548117 1.539676 5.893035 0.000000 3.948123 6.351953 5.296494 3.545476 3.014562 1.392051 2.262432 3.160405 4.167048 4.428142 4.164790 2.556794 4.718797 5.448163 5.250852 5.345450 5.996270 4.980135 0.000000 3.465325 6.550078 5.516107 2.856342 3.607419 1.377695 1.305779 4.019114 5.441277 4.844900 4.344013 2.467119 6.133908 5.436256 4.354941 3.910824 5.460949 3.672920 2.217898 0.000000 4.066731 2.232866 3.825534 4.693235 4.482868 6.085093 7.839400 4.762446 5.349474 3.721136 3.939410 4.896978 6.430486 2.239269 3.972615 5.046718 1.432943 6.399994 7.165986 6.641911 0.000000 4.360667 1.360405 3.415596 5.275042 4.462728 6.412661 8.297724 4.506648 4.706337 3.591369 3.800237 5.229260 5.713511 2.198884 4.476643 5.781563 2.234408 6.976210 7.300726 7.174671 1.360043 0.000000 4.572756 7.526371 6.144665 4.407632 4.266409 2.192930 1.383996 4.288626 5.348659 5.695738 5.033945 3.596998 5.671502 6.598358 5.671048 5.438864 6.980222 4.745912 1.365705 2.142500 8.123566 8.368441 0.000000 4.286590 8.195759 6.201670 5.872444 6.440654 4.966820 3.973324 6.206039 7.618535 7.522001 5.513306 5.652619 7.832203 7.401829 3.881338 2.529111 6.927731 1.501262 5.589965 3.932896 7.520854 8.241886 5.048047 0.000000 5.455945 9.352024 7.195207 7.195892 7.732804 6.254746 5.062889 7.403250 8.760961 8.812495 6.629950 6.979118 8.836465 8.629401 4.874379 3.544367 8.106858 2.515144 6.776724 5.192317 8.581366 9.306435 6.108251 1.330990 0.000000 2.541591 4.612658 3.072196 3.825874 2.084914 2.471290 3.948927 1.089317 2.142081 3.416624 2.104645 2.642451 2.642221 4.103345 3.932635 4.656854 4.837116 4.572402 2.377235 3.495708 5.687877 5.529126 3.374351 5.728397 6.892768 0.000000 4.481122 4.092895 3.916972 4.835859 2.599962 4.272979 6.129219 2.135724 1.094574 3.008939 3.468322 3.837390 2.164013 4.003730 5.808665 6.842503 5.243240 7.028964 4.040636 5.592419 5.978368 5.355555 5.306648 8.237000 9.422128 2.563384 0.000000 3.979765 2.754791 2.682183 5.079296 2.890842 4.953377 6.862725 2.158328 1.092060 2.847292 2.715739 4.240139 2.158822 3.153185 5.034099 6.329839 4.352878 6.774614 5.096621 6.140779 4.722278 3.883244 6.304625 8.137743 9.275738 3.035406 1.767102 0.000000 4.364651 3.229329 4.863741 2.370543 2.075133 3.823128 6.003400 3.413621 3.952208 1.087929 4.117903 2.470615 5.468409 2.127959 5.429835 6.157292 2.928321 6.941335 4.630855 4.895003 4.179932 4.262351 5.863823 7.862827 9.179783 4.150219 3.769154 3.875802 0.000000 4.378115 2.487835 4.073228 3.706837 2.094995 4.407735 6.613297 2.754773 2.621738 1.089121 3.607091 3.261155 4.136294 2.115701 5.520874 6.567599 3.433535 7.240318 4.865098 5.661114 4.286783 3.817592 6.200911 8.387963 9.661692 3.676699 2.436639 2.325720 1.763274 0.000000 4.525508 5.628252 3.852648 6.161438 4.066086 4.788542 5.908668 2.803238 2.182506 4.996600 3.597932 4.977881 1.094810 5.655383 5.673632 6.605229 6.637613 6.324070 4.175966 5.784135 7.182525 6.598205 4.983088 7.559234 8.531731 2.460214 2.521958 3.076666 5.863752 4.724792 0.000000 5.357437 5.186277 3.986926 6.929066 4.651865 6.031597 7.468081 3.488201 2.170081 5.100086 4.139128 5.851011 1.092465 5.600649 6.397700 7.583927 6.729470 7.566490 5.610066 7.154457 7.043355 6.164251 6.590289 8.916398 9.902024 3.668863 2.498580 2.494451 6.043963 4.523822 1.766598 0.000000 4.025740 4.732156 2.580227 6.347687 4.251314 5.402916 6.668831 2.815818 2.175615 4.891005 2.873725 5.289380 1.091051 5.077260 4.873712 6.070330 5.948213 6.041571 5.206184 6.315435 6.164536 5.458535 6.038576 7.452847 8.372783 2.949227 3.075057 2.508627 5.923199 4.658281 1.773679 1.764981 0.000000 2.065165 4.042371 2.873486 4.434977 4.314229 4.880982 5.963943 4.090686 5.201331 4.576762 2.736891 4.320210 5.844470 3.660458 1.092602 2.182382 2.999298 3.508853 5.915290 4.984994 3.020379 3.685467 6.470664 4.704181 5.672322 4.536987 6.054558 5.077959 5.197163 5.353483 6.271406 6.759150 5.328082 0.000000 2.078136 4.951934 2.529370 5.392637 4.792586 5.070065 5.779717 4.045297 5.045206 5.418354 2.589427 4.918788 5.218795 4.778216 1.092709 2.179931 4.500112 2.782295 5.775414 5.121856 4.497778 4.773986 6.149561 4.209888 5.007461 4.194889 6.017813 5.114590 6.204396 6.027471 5.507865 6.163786 4.501207 1.773532 0.000000 2.593345 5.851506 4.644162 3.825024 4.632696 3.922719 4.241836 4.745831 6.214486 5.342753 3.914364 3.897932 6.873562 4.965334 2.139845 1.095459 4.284292 2.177332 5.061747 3.351388 4.929468 5.810755 5.183590 2.742836 3.899962 4.731243 6.840661 6.469638 5.629119 6.316477 6.929462 7.927136 6.560047 2.512376 3.068365 0.000000 3.330837 6.462247 4.826447 5.459970 5.905147 5.447674 5.588493 5.685042 7.005895 6.532212 4.487020 5.430375 7.418693 5.881979 2.131296 1.095003 5.111513 2.168000 6.434352 4.907047 5.295975 6.126398 6.478635 2.804059 3.488379 5.699560 7.811712 7.151572 6.983809 7.416049 7.547494 8.440095 6.859386 2.465943 2.545938 1.757015 0.000000 3.527220 3.270244 4.451164 2.716726 3.506044 4.534581 6.229674 4.335442 5.367206 3.016115 3.907897 3.323677 6.635903 2.168385 3.772231 4.327887 1.077945 5.608589 5.806871 4.941699 2.267194 3.285101 6.675420 6.454081 7.649703 5.048387 5.764616 5.123458 3.027153 3.994842 7.113492 7.422881 6.594496 3.113174 4.710012 3.751809 4.797174 0.000000 3.398995 7.234208 4.711936 6.153778 5.997415 5.163533 4.783227 5.325835 6.525060 7.034390 4.337753 5.658890 6.477327 6.760547 2.801928 2.163667 6.450114 1.095920 5.649104 4.627587 6.768924 7.222542 5.415977 2.140867 2.649729 4.935053 7.337406 6.955192 7.647912 7.738420 6.324696 7.510959 5.879937 3.787965 2.593930 3.073762 2.486660 6.308352 0.000000 2.581907 6.616338 4.414025 4.736497 4.668319 3.462643 3.092211 4.197848 5.550651 5.874630 3.629840 4.155757 5.716551 5.914494 2.743690 2.156250 5.772470 1.095295 3.945949 2.911119 6.439386 6.889938 3.722762 2.126984 3.239210 3.656254 6.184575 6.140855 6.379106 6.609594 5.443562 6.802861 5.396258 3.772150 3.026871 2.539940 3.061364 5.530272 1.764099 0.000000 4.384512 6.181224 5.311217 3.960056 2.908245 2.163654 3.320759 2.977369 3.616592 4.222605 4.271087 2.888657 4.162599 5.405133 5.783803 6.107251 6.175056 5.814538 1.076177 3.242618 7.314007 7.265262 2.239105 6.556030 7.735296 2.278370 3.275259 4.597787 4.476261 4.424543 3.603885 4.925007 4.839046 6.383021 6.230573 5.880627 7.201942 6.134335 6.388844 4.768082 0.000000 3.475285 6.533122 5.675394 2.701818 3.973104 2.141493 2.136547 4.507866 6.003459 5.003108 4.555370 2.727378 6.790572 5.357759 4.080329 3.417543 5.117720 3.456248 3.242150 1.077728 6.270255 6.988193 3.197605 3.563818 4.841520 4.176851 6.239398 6.563116 4.977993 5.944763 6.563774 7.828753 6.870317 4.583239 4.973227 2.638108 4.300757 4.444126 4.515727 2.991029 4.217513 0.000000 4.645910 3.271903 4.521346 5.384971 5.434194 6.821663 8.412363 5.685678 6.344310 4.747888 4.704967 5.698799 7.344212 3.286584 4.226004 5.146471 2.258053 6.600164 7.968923 7.212832 1.078512 2.178914 8.829900 7.632197 8.594896 6.547947 7.018912 5.730047 5.129171 5.357563 8.082510 7.977740 6.981066 3.158154 4.716274 5.055118 5.172162 2.761447 6.931235 6.811049 8.207704 6.713556 0.000000 5.120558 2.072764 3.780837 6.325602 5.340430 7.341450 9.198469 5.192839 5.160709 4.485696 4.430095 6.207337 5.982762 3.193340 5.128234 6.503706 3.303249 7.661273 8.146258 8.121843 2.242567 1.076603 9.215881 8.981202 9.978438 6.210342 5.856425 4.226298 5.207716 4.528394 6.952563 6.296339 5.635526 4.353508 5.228539 6.657410 6.767945 4.339331 7.779733 7.611758 8.051203 7.967683 2.742048 0.000000 5.478396 8.437050 6.902928 5.462863 5.184645 3.248821 2.153111 5.068325 5.956451 6.621065 5.856435 4.627974 6.068245 7.573892 6.545202 6.289878 8.014777 5.414245 2.199247 3.165415 9.130716 9.312296 1.078781 5.617529 6.531270 4.070960 5.857230 6.977199 6.809567 7.029257 5.232807 6.913902 6.467741 7.405508 6.916343 6.118696 7.302567 7.742752 5.967782 4.393416 2.757099 4.184490 9.847860 10.119599 0.000000 4.480449 8.270689 6.592860 5.366734 6.255458 4.548223 3.407037 6.255773 7.732859 7.331698 5.755730 5.279607 8.103585 7.328790 4.288418 2.912051 6.841595 2.203826 5.248686 3.342426 7.600790 8.398008 4.653193 1.088741 2.090126 5.772843 8.234279 8.284703 7.528932 8.249537 7.801214 9.195432 7.855469 5.019813 4.832487 2.696731 3.309320 6.234814 3.087774 2.499981 6.279631 2.851947 7.749751 9.227727 5.275414 0.000000 6.387040 10.260482 8.219931 7.775067 8.516710 6.865439 5.450237 8.293639 9.685286 9.601347 7.599439 7.648598 9.799136 9.462881 5.844928 4.438600 8.893830 3.502497 7.375572 5.679526 9.423850 10.219373 6.583298 2.112712 1.084236 7.751314 10.290167 10.228630 9.882384 10.485242 9.447476 10.870684 9.383438 6.589930 6.051483 4.617487 4.331803 8.345260 3.729593 4.138906 8.380426 5.277975 9.403964 10.927632 6.942537 2.431158 0.000000 5.686250 9.531938 7.154715 7.859596 8.158124 6.877649 5.814381 7.653860 8.916382 9.220153 6.752102 7.556010 8.844731 8.949151 4.965999 3.818106 8.449777 2.779320 7.335135 5.944471 8.773779 9.415070 6.722931 2.112629 1.086522 7.163050 9.661793 9.391850 9.691766 10.012580 8.571293 9.876546 8.269610 5.779333 4.865569 4.422978 3.626689 8.106808 2.462866 3.577595 8.224393 5.663522 8.751767 9.988758 7.098686 3.069862 1.848928 0.000000 C18H23N3O4 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2968098 0.1799673 0.1519048 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= 710 708 709 709 710 MxSgAt= 48 MxSgA2= 48. 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2373.4123794441 48 48 48 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 -0.0598936341 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2353.7050153197 48 48 48 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 -0.0590956950 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2327.8235434340 48 48 48 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 -0.0554202392 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2364.3727123343 48 48 48 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 -0.0588647192 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2374.0220903329 48 48 48 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 -0.0598048051 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2384.0142254844 48 48 48 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 -0.0609565288 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2378.4865873895 48 48 48 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 -0.0604093874 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2380.1700367865 48 48 48 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 -0.0605817719 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2379.7582302907 48 48 48 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 -0.0605546342 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2379.7472483489 48 48 48 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 -0.0605360659 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2379.8846190238 48 48 48 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 -0.0605433575 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2380.2685781900 48 48 48 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 -0.0605780661 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2380.5748568643 48 48 48 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 -0.0606095017 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2381.2217690294 48 48 48 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 -0.0606698470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2381.7211215419 48 48 48 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 -0.0607099922 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2382.1064361660 48 48 48 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 -0.0607371097 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2381.8521967061 48 48 48 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 -0.0607140072 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2381.7120889567 48 48 48 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 -0.0607042843 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2383.8132486337 48 48 48 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 -0.0608760871 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2382.5849975256 48 48 48 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 -0.0607756131 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2381.6323020047 48 48 48 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 -0.0606914690 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2382.1745378031 48 48 48 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 -0.0607389840 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2382.0889264696 48 48 48 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 -0.0607312303 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2382.1777174751 48 48 48 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 -0.0607386321 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2382.1804606606 48 48 48 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 -0.0607365313 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= 688 RedAO= T EigKep= 2.37D-06 NBF= 688 NBsUse= 688 1.00D-06 EigRej= -1.00D+00 NBFU= 688 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= 708 707 707 707 708 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1164.54597846949 -1164.72283389095 -0.176855421457 -1165.12407898662 -0.401245095673 -1165.22589746501 -0.101818478391 -1165.25613039712 -0.030232932108 -1165.25707125091 -0.000940853788 -1165.25722408937 -0.000152838466 -1165.25724135499 -0.000017265620 -1165.25724246148 -0.000001106492 -1165.25724268611 -0.000000224628 -1165.25724270443 -0.000000018313 -1165.25724270646 -0.000000002030 -1165.25724270661 -0.000000000153 -1165.25724270656 0.000000000046 -1165.25724270670 -0.000000000141 -1165.25724270654 0.000000000165 -1165.25724271 16 1.161159486044e+03 -7.494987912316e+03 2.779604024941e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323590392 LenY= 11323081310 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. -1.13524117e+00 -1.05615532e-01 5.12132392e-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 45 46 47 48 8 8 8 8 7 7 7 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 1 1 1 1 1 1 0.009924929 0.001889516 -0.006509652 -0.005288594 0.012485237 0.011991442 -0.009584572 -0.004596628 0.007992983 -0.003091287 -0.004951583 -0.015218193 0.001429906 0.003931514 0.000392772 -0.003353996 0.000245106 0.000089609 0.014426338 -0.004794841 0.000331188 0.003128162 0.002493797 0.006399750 -0.002686577 0.003242546 0.000603900 -0.007619984 0.004798316 -0.003931608 0.000358226 0.005923908 0.001946616 -0.000527957 0.002485425 0.003582643 0.000250420 0.000054569 0.003876968 0.009099772 0.005884725 -0.006814700 -0.002622694 -0.011346072 -0.000494016 -0.001303632 -0.001026918 -0.002830306 0.004330858 -0.003849236 -0.006523525 0.001599446 0.001100740 0.002253065 -0.002630103 0.009576413 0.006551777 -0.001878161 -0.012814169 -0.010160809 0.000197872 -0.006858320 -0.003961790 -0.011689905 -0.010108887 0.004000830 0.006670487 0.008036176 0.007957964 0.000357303 0.002184121 -0.001444017 0.002506195 -0.003798794 0.000076274 -0.001018355 -0.001708124 -0.001046433 0.000442581 0.000910119 -0.001192363 -0.000450419 -0.001831118 -0.000932667 0.001714066 -0.001120632 -0.000738337 -0.000958922 -0.001242628 0.000814085 0.002302666 0.000486142 0.000028011 -0.001317813 0.001542623 0.001233307 -0.000406288 -0.002668491 -0.000369721 -0.000698304 0.002047099 0.000333605 -0.000291332 0.001875766 0.001369378 -0.000096055 0.001432100 -0.000306129 -0.000430654 -0.001689036 -0.000036787 0.001051505 0.000776941 0.000157336 -0.000238326 -0.000931554 0.001268372 -0.001053651 0.001904085 -0.000285388 -0.000651634 -0.000581666 -0.000464295 -0.001432127 0.000588910 0.000117670 -0.000236027 -0.000813405 -0.000138944 0.000203833 0.000645876 0.000382804 0.000433105 0.000473393 0.000312630 -0.000059387 0.001124617 -0.001305008 0.001523573 -0.000629384 -0.001307628 -0.000334488 -0.000778288 0.001947339 0.015218193 0.004429731 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1165.26069180503 -1165.26071294488 -0.000021139845 -1165.26071302822 -0.000000083343 -1165.26071320087 -0.000000172651 -1165.26071322563 -0.000000024758 -1165.26071323067 -0.000000005041 -1165.26071323078 -0.000000000113 -1165.26071323126 -0.000000000473 -1165.26071323122 0.000000000040 -1165.26071323117 0.000000000044 -1165.26071323 10 1.160504483231e+03 -7.480984344680e+03 2.773099424089e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323590392 LenY= 11323081310 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) PT136660.800S Mon Jan 17 23:09:19 2022 -1.05119143e+00 -5.21786661e-02 6.32358300e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1165.2607132 3.833E-9 2.883E-6 -7.8147044,10.974562,-3.1598576,1.4265143,4.4468218,6.1117523 C01 [X(C18H23N3O4)] -0.9982604 0.2319601 0.6762202 0.000003708 -0.000004164 0.000000857 -0.000000728 -0.000001573 0.000002168 -0.000001584 -0.000003793 0.000002750 0.000002083 0.000003875 0.000000229 -0.000001121 0.000002170 0.000002212 0.000000364 0.000003993 -0.000005084 0.000000849 0.000001311 0.000004702 -0.000000241 -0.000002266 -0.000002997 0.000001395 -0.000002060 0.000009105 0.000003308 0.000003385 -0.000001308 -0.000005754 0.000003196 -0.000015537 -0.000003533 -0.000012075 0.000004313 -0.000000207 -0.000001042 0.000004947 0.000001716 -0.000001712 0.000002906 0.000004260 0.000000003 0.000002277 -0.000000247 0.000001940 0.000000423 -0.000001570 0.000000772 -0.000002029 -0.000000893 0.000000610 -0.000003218 -0.000001816 -0.000002150 0.000003206 -0.000002746 -0.000003186 -0.000001688 -0.000005357 0.000001947 -0.000003741 0.000001179 0.000000191 0.000003937 0.000002190 -0.000002175 -0.000001261 -0.000002444 0.000003058 0.000004232 0.000004136 -0.000000159 -0.000001127 0.000001984 0.000003759 -0.000000223 0.000001344 0.000000172 0.000000599 0.000001339 0.000000176 0.000002354 -0.000001250 0.000000284 0.000000507 -0.000001115 0.000001459 -0.000002612 0.000000600 0.000000379 -0.000000079 0.000001803 0.000000674 0.000001072 0.000000830 0.000004056 0.000000765 -0.000001167 0.000004123 -0.000000105 -0.000000355 -0.000002399 -0.000000698 0.000001034 0.000002270 -0.000001182 -0.000000724 -0.000001150 -0.000001778 0.000001921 0.000000278 0.000003361 -0.000001199 -0.000000209 -0.000000692 0.000000683 0.000001669 -0.000000836 -0.000000039 0.000001584 -0.000001332 -0.000000716 -0.000001431 -0.000001577 -0.000000852 -0.000000171 0.000000848 -0.000000035 -0.000000741 0.000001232 0.000000525 -0.000000378 0.000000619 -0.000000632 -0.000003093 -0.000006323 -0.000000132 -0.000000767 -0.000001462 -0.000000798 -0.000000640 -0.000002732 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 GINC-ESTREMERA PAULAPLA Optimization pefurazoate CONF128 gas EM64L-G16RevC.01 138 C1[X(C18H23N3O4)] 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 0 0 0 0 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Optimization pefurazoate CONF128 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 45 46 47 48 16 16 16 16 14 14 14 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 1 1 1 1 1 1 15.9949146 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 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 2 2 2 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 1 1 1 1 1 1 5.6000000 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 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 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/pefurazoate/gas/CONF128/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 R48 R49 1 1 2 2 3 4 5 5 5 6 6 6 7 7 8 8 8 9 9 9 10 10 10 13 13 13 14 15 15 15 16 16 16 17 17 18 18 18 19 19 20 21 21 22 23 24 24 25 25 11 15 14 22 11 12 8 10 12 12 19 20 20 23 9 11 26 13 27 28 14 29 30 31 32 33 17 16 34 35 18 36 37 21 38 24 39 40 23 41 42 22 43 44 45 25 46 47 48 1.3414 1.4513 1.3708 1.3604 1.2044 1.2137 1.4838 1.4819 1.3773 1.4259 1.3921 1.3777 1.3058 1.384 1.5308 1.5434 1.0893 1.5322 1.0946 1.0921 1.4924 1.0879 1.0891 1.0948 1.0925 1.0911 1.3621 1.5174 1.0926 1.0927 1.5397 1.0955 1.095 1.4329 1.0779 1.5013 1.0959 1.0953 1.3657 1.0762 1.0777 1.36 1.0785 1.0766 1.0788 1.331 1.0887 1.0842 1.0865 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 A81 A82 A83 A84 11 14 8 8 10 12 12 19 20 5 5 5 9 9 11 8 8 8 13 13 27 5 5 5 14 14 29 1 1 3 4 4 5 9 9 9 31 31 32 2 2 10 1 1 1 16 16 34 15 15 15 18 18 36 14 14 21 16 16 16 24 24 39 6 6 23 6 6 7 17 17 22 2 2 21 7 7 19 18 18 25 24 24 47 1 2 5 5 5 6 6 6 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 15 22 10 12 12 19 20 20 23 9 11 26 11 26 26 13 27 28 27 28 28 14 29 30 29 30 30 3 8 8 5 6 6 31 32 33 32 33 33 10 17 17 16 34 35 34 35 35 18 36 37 36 37 37 21 38 38 24 39 40 39 40 40 23 41 41 7 42 42 22 43 43 21 44 44 19 45 45 25 46 46 47 48 48 117.9655 107.237 116.7253 121.2878 114.2894 130.2763 123.2752 106.4041 105.5641 112.8067 110.6744 107.2512 112.3046 108.5028 104.8338 112.1967 107.7152 109.6128 109.8184 109.5579 107.8288 114.3939 106.6971 108.1709 110.1253 109.0806 108.1796 124.9009 109.3117 125.7384 124.6131 119.4461 115.9084 111.2705 110.4218 110.9465 107.7379 108.4721 107.8643 116.6114 109.7538 133.5822 107.0294 107.7122 108.728 112.458 112.2516 108.4992 112.9232 108.8944 108.2565 110.2968 109.5907 106.6661 106.4516 125.0025 128.5418 112.5389 109.1996 108.6602 110.0566 108.9986 107.2356 105.3417 121.9481 132.6164 111.9483 120.9329 127.1132 106.2322 127.5157 126.2516 110.3241 116.054 133.6214 110.7288 121.4204 127.8438 125.1477 115.7017 119.1506 121.6959 121.498 116.8035 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 15 15 11 11 11 22 22 14 14 10 10 10 12 12 12 8 8 8 12 12 12 8 8 10 10 19 19 20 20 12 12 20 20 12 12 19 19 23 23 20 20 5 5 5 11 11 11 26 26 26 5 5 9 9 26 26 8 8 8 27 27 27 28 28 28 5 5 29 29 30 30 2 2 10 10 1 1 1 34 34 34 35 35 35 15 15 15 36 36 36 37 37 37 14 14 38 38 16 16 39 39 40 40 6 6 41 41 17 17 43 43 18 18 46 46 1 1 1 1 1 2 2 2 2 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 17 17 17 17 18 18 18 18 18 18 19 19 19 19 21 21 21 21 24 24 24 24 11 11 15 15 15 14 14 22 22 8 8 8 8 8 8 10 10 10 10 10 10 12 12 12 12 12 12 12 12 19 19 19 19 20 20 20 20 20 20 23 23 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 17 17 17 17 16 16 16 16 16 16 16 16 16 18 18 18 18 18 18 18 18 18 21 21 21 21 24 24 24 24 24 24 23 23 23 23 22 22 22 22 25 25 25 25 3 8 16 34 35 10 17 21 44 9 11 26 9 11 26 14 29 30 14 29 30 4 6 4 6 4 5 4 5 23 41 23 41 7 42 7 42 6 42 19 45 13 27 28 13 27 28 13 27 28 1 3 1 3 1 3 31 32 33 31 32 33 31 32 33 2 17 2 17 2 17 21 38 21 38 18 36 37 18 36 37 18 36 37 24 39 40 24 39 40 24 39 40 22 43 22 43 25 46 25 46 25 46 7 45 7 45 2 44 2 44 47 48 47 48 4.5914 -177.8322 -168.2185 70.635 -46.7507 -177.3688 0.3533 -0.3365 179.4598 -51.8479 74.9316 -171.2582 160.4902 -72.7304 41.0798 -63.2705 174.6928 58.5073 86.6292 -35.4075 -151.593 142.005 -40.085 -6.3826 171.5273 142.6525 -35.3723 -34.5806 147.3946 -178.1406 -1.2485 -0.5518 176.3403 178.9111 -1.8918 1.1113 -179.6916 -1.167 179.6967 0.795 -178.3193 -162.1481 -41.1679 75.8994 71.9448 -167.075 -50.0077 -43.4647 77.5155 -165.4172 56.6538 -125.7951 -176.2891 1.262 -58.6768 118.8743 59.2134 178.8044 -61.656 -60.5472 59.0438 178.5834 -178.8029 -59.2119 60.3277 106.1963 -70.8436 -133.66 49.3002 -15.0817 167.8784 -0.2349 -179.5509 176.9532 -2.3628 65.5097 -57.366 -172.9669 -176.3972 60.7271 -54.8738 -53.7085 -176.5841 67.8149 -175.9423 61.5306 -55.1335 -53.8508 -176.3779 66.958 63.2912 -59.2359 -175.9 0.0278 179.7924 179.3115 -0.9239 -112.6007 67.3 9.4426 -170.6567 126.7848 -53.3145 -0.1309 178.9119 -176.5468 2.496 0.1915 -179.5557 -179.577 0.6759 179.787 -0.8197 -0.1105 179.2828 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00095 0.00195 0.00230 0.00293 0.00323 0.00443 0.00518 0.00532 0.00655 0.00923 0.01057 0.01104 0.01158 0.01237 0.01499 0.01694 0.01865 0.02048 0.02069 0.02322 0.02464 0.02822 0.03052 0.03126 0.03836 0.03886 0.03913 0.03995 0.04017 0.04219 0.04442 0.04581 0.04623 0.04675 0.04685 0.04800 0.05000 0.05137 0.05348 0.05517 0.05799 0.05917 0.05941 0.06126 0.06329 0.07190 0.07229 0.07290 0.07878 0.08938 0.09084 0.09417 0.09892 0.09998 0.10212 0.10513 0.10606 0.10666 0.11068 0.11430 0.11494 0.12258 0.12564 0.13115 0.13355 0.13616 0.14320 0.15830 0.16025 0.16325 0.16469 0.17702 0.18673 0.19009 0.19826 0.20427 0.21115 0.21585 0.22029 0.22284 0.22933 0.23529 0.24031 0.24257 0.24474 0.26069 0.26795 0.27628 0.28368 0.29207 0.29970 0.30648 0.31101 0.31579 0.32282 0.32443 0.32623 0.32744 0.32779 0.32851 0.32984 0.33161 0.33203 0.33556 0.33697 0.33782 0.33821 0.34224 0.34497 0.34688 0.34783 0.35082 0.35162 0.35542 0.35622 0.35684 0.36653 0.36866 0.37141 0.37370 0.37519 0.37578 0.37953 0.39373 0.42712 0.43030 0.43345 0.44107 0.45102 0.45927 0.46516 0.47761 0.54104 0.58143 0.60792 0.62397 0.82650 0.86634 Angle between quadratic step and forces= 82.30 degrees. 1 2 0.00101501 0.00000052 0.00000027 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 R48 R49 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 A81 A82 A83 A84 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 2.53490 2.74256 2.59049 2.57079 2.27607 2.29357 2.80393 2.80047 2.60266 2.69447 2.63060 2.60347 2.46756 2.61537 2.89288 2.91659 2.05851 2.89544 2.06845 2.06369 2.82026 2.05589 2.05814 2.06889 2.06446 2.06179 2.57408 2.86739 2.06472 2.06492 2.90957 2.07012 2.06926 2.70787 2.03702 2.83697 2.07099 2.06981 2.58081 2.03368 2.03661 2.57011 2.03809 2.03449 2.03860 2.51521 2.05742 2.04891 2.05323 2.05889 1.87164 2.03724 2.11687 1.99473 2.27375 2.15156 1.85710 1.84244 1.96885 1.93163 1.87189 1.96008 1.89373 1.82969 1.95820 1.87998 1.91310 1.91669 1.91215 1.88197 1.99655 1.86222 1.88794 1.92205 1.90382 1.88809 2.17993 1.90785 2.19455 2.17491 2.08473 2.02298 1.94204 1.92722 1.93638 1.88038 1.89320 1.88259 2.03525 1.91557 2.33145 1.86802 1.87993 1.89766 1.96276 1.95916 1.89367 1.97088 1.90057 1.88943 1.92504 1.91272 1.86167 1.85793 2.18171 2.24348 1.96417 1.90589 1.89648 1.92085 1.90238 1.87161 1.83856 2.12840 2.31459 1.95387 2.11068 2.21854 1.85410 2.22557 2.20351 1.92552 2.02552 2.33213 1.93258 2.11919 2.23130 2.18424 2.01937 2.07957 2.12399 2.12054 2.03861 0.08014 -3.10376 -2.93597 1.23281 -0.81595 -3.09567 0.00617 -0.00587 3.13216 -0.90492 1.30780 -2.98902 2.80108 -1.26938 0.71698 -1.10428 3.04896 1.02114 1.51196 -0.61798 -2.64580 2.47845 -0.69962 -0.11140 2.99372 2.48976 -0.61736 -0.60355 2.57252 -3.10914 -0.02179 -0.00963 3.07772 3.12259 -0.03302 0.01940 -3.13621 -0.02037 3.13630 0.01388 -3.11226 -2.83002 -0.71851 1.32470 1.25567 -2.91601 -0.87280 -0.75860 1.35290 -2.88707 0.98880 -2.19554 -3.07683 0.02203 -1.02410 2.07475 1.03347 3.12073 -1.07610 -1.05675 1.03051 3.11687 -3.12070 -1.03344 1.05292 1.85347 -1.23645 -2.33281 0.86045 -0.26323 2.93003 -0.00410 -3.13376 3.08842 -0.04124 1.14336 -1.00123 -3.01884 -3.07871 1.05989 -0.95773 -0.93739 -3.08197 1.18359 -3.07077 1.07391 -0.96226 -0.93987 -3.07837 1.16864 1.10464 -1.03386 -3.07003 0.00048 3.13797 3.12958 -0.01612 -1.96525 1.17461 0.16480 -2.97852 2.21281 -0.93051 -0.00229 3.12260 -3.08132 0.04356 0.00334 -3.13384 -3.13421 0.01180 3.13788 -0.01431 -0.00193 3.12907 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 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00002 0.00000 0.00002 -0.00003 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00001 -0.00003 -0.00000 0.00002 -0.00001 0.00000 0.00001 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00003 0.00002 0.00001 0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 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 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00002 0.00000 -0.00000 0.00002 0.00000 0.00001 0.00001 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -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 -0.00001 -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 0.00002 -0.00001 0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00001 0.00002 -0.00001 0.00000 0.00000 0.00001 -0.00001 0.00002 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00001 -0.00000 0.00001 -0.00002 0.00001 0.00001 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 0.00002 -0.00000 -0.00000 -0.00007 0.00000 0.00003 -0.00008 0.00001 -0.00004 0.00005 0.00000 0.00001 0.00003 -0.00006 -0.00003 0.00005 -0.00003 0.00004 0.00003 -0.00003 0.00001 -0.00002 0.00001 -0.00000 0.00004 -0.00000 0.00001 -0.00003 -0.00000 -0.00002 -0.00003 0.00000 0.00002 0.00003 0.00001 -0.00004 -0.00001 -0.00000 0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00000 -0.00001 0.00001 -0.00002 0.00002 -0.00000 -0.00000 -0.00001 0.00003 -0.00002 -0.00002 -0.00001 0.00001 0.00001 0.00000 -0.00001 0.00001 -0.00000 0.00003 0.00002 -0.00002 0.00000 -0.00003 -0.00000 -0.00002 0.00001 -0.00001 0.00001 0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00004 0.00002 -0.00006 0.00001 -0.00001 0.00000 0.00039 0.00039 -0.00129 -0.00128 -0.00127 -0.00012 0.00001 -0.00004 -0.00004 -0.00009 -0.00005 -0.00005 0.00001 0.00004 0.00005 0.00019 0.00021 0.00022 0.00007 0.00009 0.00011 -0.00016 -0.00026 -0.00007 -0.00017 0.00012 0.00021 -0.00016 -0.00007 -0.00023 -0.00029 0.00002 -0.00004 0.00020 0.00018 -0.00002 -0.00005 0.00001 0.00004 0.00001 -0.00000 0.00012 0.00010 0.00008 0.00014 0.00012 0.00010 0.00008 0.00006 0.00004 0.00015 0.00015 0.00018 0.00017 0.00019 0.00019 -0.00010 -0.00012 -0.00011 -0.00008 -0.00009 -0.00008 -0.00007 -0.00008 -0.00007 -0.00011 -0.00028 -0.00011 -0.00028 -0.00015 -0.00032 0.00001 0.00007 0.00018 0.00023 0.00003 0.00004 0.00005 0.00002 0.00003 0.00004 0.00001 0.00001 0.00002 -0.00042 -0.00042 -0.00041 -0.00043 -0.00043 -0.00042 -0.00042 -0.00042 -0.00041 -0.00003 0.00003 -0.00009 -0.00003 -0.00110 -0.00115 -0.00108 -0.00113 -0.00112 -0.00117 -0.00002 -0.00001 0.00006 0.00007 0.00004 0.00004 -0.00002 -0.00002 0.00005 0.00008 0.00010 0.00013 0.00002 -0.00001 0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00001 0.00002 -0.00001 0.00000 0.00000 0.00001 -0.00001 0.00002 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00001 -0.00000 0.00001 -0.00002 0.00001 0.00001 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 0.00002 -0.00000 -0.00000 -0.00007 0.00000 0.00003 -0.00008 0.00001 -0.00004 0.00005 0.00000 0.00001 0.00003 -0.00006 -0.00003 0.00005 -0.00003 0.00004 0.00003 -0.00003 0.00001 -0.00002 0.00001 -0.00000 0.00004 -0.00000 0.00001 -0.00003 -0.00000 -0.00002 -0.00003 0.00000 0.00002 0.00003 0.00001 -0.00004 -0.00001 -0.00000 0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00000 -0.00001 0.00001 -0.00002 0.00002 -0.00000 -0.00000 -0.00001 0.00003 -0.00002 -0.00002 -0.00001 0.00001 0.00001 0.00000 -0.00001 0.00001 -0.00000 0.00003 0.00002 -0.00002 0.00000 -0.00003 -0.00000 -0.00002 0.00001 -0.00001 0.00001 0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00004 0.00002 -0.00006 0.00001 -0.00001 0.00000 0.00039 0.00039 -0.00129 -0.00128 -0.00127 -0.00012 0.00001 -0.00004 -0.00004 -0.00009 -0.00005 -0.00005 0.00001 0.00004 0.00005 0.00019 0.00021 0.00022 0.00007 0.00009 0.00011 -0.00016 -0.00026 -0.00007 -0.00017 0.00012 0.00021 -0.00016 -0.00007 -0.00023 -0.00029 0.00002 -0.00004 0.00020 0.00018 -0.00002 -0.00005 0.00001 0.00004 0.00001 -0.00000 0.00012 0.00010 0.00008 0.00014 0.00012 0.00010 0.00008 0.00006 0.00004 0.00015 0.00015 0.00018 0.00017 0.00019 0.00019 -0.00010 -0.00012 -0.00011 -0.00008 -0.00009 -0.00008 -0.00007 -0.00008 -0.00007 -0.00011 -0.00028 -0.00011 -0.00028 -0.00015 -0.00032 0.00001 0.00007 0.00018 0.00023 0.00003 0.00004 0.00005 0.00002 0.00003 0.00004 0.00001 0.00001 0.00002 -0.00042 -0.00042 -0.00041 -0.00043 -0.00043 -0.00042 -0.00042 -0.00042 -0.00041 -0.00003 0.00003 -0.00009 -0.00003 -0.00110 -0.00115 -0.00108 -0.00113 -0.00112 -0.00117 -0.00002 -0.00001 0.00006 0.00007 0.00004 0.00004 -0.00002 -0.00002 0.00005 0.00008 0.00010 0.00013 2.53491 2.74256 2.59049 2.57079 2.27607 2.29357 2.80394 2.80046 2.60269 2.69447 2.63060 2.60347 2.46757 2.61536 2.89290 2.91658 2.05851 2.89544 2.06845 2.06369 2.82027 2.05589 2.05814 2.06889 2.06446 2.06178 2.57408 2.86738 2.06472 2.06493 2.90955 2.07013 2.06926 2.70788 2.03702 2.83696 2.07099 2.06981 2.58081 2.03368 2.03661 2.57011 2.03809 2.03449 2.03860 2.51521 2.05744 2.04891 2.05322 2.05882 1.87164 2.03727 2.11679 1.99473 2.27371 2.15160 1.85711 1.84245 1.96888 1.93157 1.87186 1.96013 1.89370 1.82974 1.95823 1.87996 1.91311 1.91668 1.91216 1.88196 1.99659 1.86221 1.88795 1.92202 1.90381 1.88808 2.17991 1.90785 2.19457 2.17493 2.08474 2.02294 1.94203 1.92722 1.93640 1.88037 1.89320 1.88259 2.03527 1.91556 2.33144 1.86803 1.87992 1.89768 1.96276 1.95916 1.89366 1.97091 1.90055 1.88941 1.92503 1.91273 1.86168 1.85793 2.18169 2.24349 1.96417 1.90592 1.89650 1.92083 1.90239 1.87159 1.83856 2.12838 2.31461 1.95386 2.11068 2.21855 1.85410 2.22558 2.20350 1.92552 2.02553 2.33212 1.93258 2.11919 2.23129 2.18428 2.01940 2.07951 2.12400 2.12053 2.03861 0.08053 -3.10337 -2.93725 1.23153 -0.81722 -3.09579 0.00618 -0.00591 3.13213 -0.90500 1.30775 -2.98907 2.80109 -1.26934 0.71702 -1.10409 3.04917 1.02137 1.51204 -0.61788 -2.64569 2.47830 -0.69987 -0.11147 2.99354 2.48988 -0.61715 -0.60371 2.57245 -3.10937 -0.02208 -0.00961 3.07768 3.12279 -0.03284 0.01938 -3.13626 -0.02036 3.13634 0.01388 -3.11226 -2.82990 -0.71842 1.32478 1.25582 -2.91589 -0.87270 -0.75852 1.35296 -2.88703 0.98895 -2.19539 -3.07665 0.02220 -1.02391 2.07494 1.03336 3.12060 -1.07621 -1.05682 1.03042 3.11679 -3.12076 -1.03352 1.05285 1.85336 -1.23674 -2.33292 0.86017 -0.26337 2.92971 -0.00409 -3.13369 3.08859 -0.04101 1.14339 -1.00118 -3.01879 -3.07869 1.05992 -0.95769 -0.93738 -3.08196 1.18362 -3.07120 1.07349 -0.96267 -0.94031 -3.07880 1.16822 1.10422 -1.03428 -3.07044 0.00045 3.13800 3.12948 -0.01615 -1.96635 1.17346 0.16373 -2.97965 2.21169 -0.93168 -0.00230 3.12259 -3.08127 0.04363 0.00339 -3.13379 -3.13423 0.01178 3.13793 -0.01423 -0.00183 3.12920 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000027 0.000005 0.005186 0.001015 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -2.164958e-08 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2382.1804606606 48 48 48 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 -0.0607365313 0.000000 4.037848 0.000000 2.258071 3.112577 0.000000 3.464905 4.594793 5.023874 0.000000 2.811073 3.411270 3.485339 2.295432 0.000000 3.115962 5.595276 4.812787 2.282029 2.376137 0.000000 4.330123 7.630936 6.265207 4.099436 4.555261 2.224387 0.000000 2.356012 3.533786 2.450368 3.556965 1.483775 2.905495 4.724465 0.000000 3.712354 3.577924 2.861835 4.797810 2.511174 4.231860 6.025530 1.530845 0.000000 3.660331 2.437068 3.841490 2.702416 1.481943 3.702417 5.909357 2.524968 2.993837 0.000000 1.341410 3.260313 1.204443 3.961620 2.490119 3.610313 5.132578 1.543395 2.553231 3.179165 0.000000 2.854096 4.386212 4.303684 1.213707 1.377271 1.425855 3.575917 2.494205 3.782249 2.402535 3.160789 0.000000 4.325690 4.762890 3.186567 6.063748 3.845214 5.068726 6.465570 2.542319 1.532202 4.504407 3.171962 4.956553 0.000000 3.436273 1.370828 3.356334 3.259161 2.500069 4.528419 6.594445 3.103528 3.627048 1.492418 3.010888 3.213117 4.991804 0.000000 1.451303 4.591833 2.728503 4.421124 4.161322 4.346468 5.180820 3.729494 4.942987 4.766900 2.394058 4.091649 5.406465 4.148954 0.000000 2.387156 5.897314 4.179637 4.590928 4.927671 4.381873 4.623772 4.706960 6.086480 5.691295 3.639808 4.434575 6.534649 5.225254 1.517359 0.000000 3.440279 2.235353 3.790553 3.287361 3.344280 4.856707 6.702297 3.964509 4.769848 2.624057 3.465555 3.589036 6.026084 1.362145 3.732753 4.633832 0.000000 2.960967 6.913975 4.728001 5.247798 5.390051 4.340998 3.947293 4.960284 6.312933 6.445343 4.115326 4.854317 6.491293 6.254001 2.548117 1.539676 5.893035 0.000000 3.948123 6.351953 5.296494 3.545476 3.014562 1.392051 2.262432 3.160405 4.167048 4.428142 4.164790 2.556794 4.718797 5.448163 5.250852 5.345450 5.996270 4.980135 0.000000 3.465325 6.550078 5.516107 2.856342 3.607419 1.377695 1.305779 4.019114 5.441277 4.844900 4.344013 2.467119 6.133908 5.436256 4.354941 3.910824 5.460949 3.672920 2.217898 0.000000 4.066731 2.232866 3.825534 4.693235 4.482868 6.085093 7.839400 4.762446 5.349474 3.721136 3.939410 4.896978 6.430486 2.239269 3.972615 5.046718 1.432943 6.399994 7.165986 6.641911 0.000000 4.360667 1.360405 3.415596 5.275042 4.462728 6.412661 8.297724 4.506648 4.706337 3.591369 3.800237 5.229260 5.713511 2.198884 4.476643 5.781563 2.234408 6.976210 7.300726 7.174671 1.360043 0.000000 4.572756 7.526371 6.144665 4.407632 4.266409 2.192930 1.383996 4.288626 5.348659 5.695738 5.033945 3.596998 5.671502 6.598358 5.671048 5.438864 6.980222 4.745912 1.365705 2.142500 8.123566 8.368441 0.000000 4.286590 8.195759 6.201670 5.872444 6.440654 4.966820 3.973324 6.206039 7.618535 7.522001 5.513306 5.652619 7.832203 7.401829 3.881338 2.529111 6.927731 1.501262 5.589965 3.932896 7.520854 8.241886 5.048047 0.000000 5.455945 9.352024 7.195207 7.195892 7.732804 6.254746 5.062889 7.403250 8.760961 8.812495 6.629950 6.979118 8.836465 8.629401 4.874379 3.544367 8.106858 2.515144 6.776724 5.192317 8.581366 9.306435 6.108251 1.330990 0.000000 2.541591 4.612658 3.072196 3.825874 2.084914 2.471290 3.948927 1.089317 2.142081 3.416624 2.104645 2.642451 2.642221 4.103345 3.932635 4.656854 4.837116 4.572402 2.377235 3.495708 5.687877 5.529126 3.374351 5.728397 6.892768 0.000000 4.481122 4.092895 3.916972 4.835859 2.599962 4.272979 6.129219 2.135724 1.094574 3.008939 3.468322 3.837390 2.164013 4.003730 5.808665 6.842503 5.243240 7.028964 4.040636 5.592419 5.978368 5.355555 5.306648 8.237000 9.422128 2.563384 0.000000 3.979765 2.754791 2.682183 5.079296 2.890842 4.953377 6.862725 2.158328 1.092060 2.847292 2.715739 4.240139 2.158822 3.153185 5.034099 6.329839 4.352878 6.774614 5.096621 6.140779 4.722278 3.883244 6.304625 8.137743 9.275738 3.035406 1.767102 0.000000 4.364651 3.229329 4.863741 2.370543 2.075133 3.823128 6.003400 3.413621 3.952208 1.087929 4.117903 2.470615 5.468409 2.127959 5.429835 6.157292 2.928321 6.941335 4.630855 4.895003 4.179932 4.262351 5.863823 7.862827 9.179783 4.150219 3.769154 3.875802 0.000000 4.378115 2.487835 4.073228 3.706837 2.094995 4.407735 6.613297 2.754773 2.621738 1.089121 3.607091 3.261155 4.136294 2.115701 5.520874 6.567599 3.433535 7.240318 4.865098 5.661114 4.286783 3.817592 6.200911 8.387963 9.661692 3.676699 2.436639 2.325720 1.763274 0.000000 4.525508 5.628252 3.852648 6.161438 4.066086 4.788542 5.908668 2.803238 2.182506 4.996600 3.597932 4.977881 1.094810 5.655383 5.673632 6.605229 6.637613 6.324070 4.175966 5.784135 7.182525 6.598205 4.983088 7.559234 8.531731 2.460214 2.521958 3.076666 5.863752 4.724792 0.000000 5.357437 5.186277 3.986926 6.929066 4.651865 6.031597 7.468081 3.488201 2.170081 5.100086 4.139128 5.851011 1.092465 5.600649 6.397700 7.583927 6.729470 7.566490 5.610066 7.154457 7.043355 6.164251 6.590289 8.916398 9.902024 3.668863 2.498580 2.494451 6.043963 4.523822 1.766598 0.000000 4.025740 4.732156 2.580227 6.347687 4.251314 5.402916 6.668831 2.815818 2.175615 4.891005 2.873725 5.289380 1.091051 5.077260 4.873712 6.070330 5.948213 6.041571 5.206184 6.315435 6.164536 5.458535 6.038576 7.452847 8.372783 2.949227 3.075057 2.508627 5.923199 4.658281 1.773679 1.764981 0.000000 2.065165 4.042371 2.873486 4.434977 4.314229 4.880982 5.963943 4.090686 5.201331 4.576762 2.736891 4.320210 5.844470 3.660458 1.092602 2.182382 2.999298 3.508853 5.915290 4.984994 3.020379 3.685467 6.470664 4.704181 5.672322 4.536987 6.054558 5.077959 5.197163 5.353483 6.271406 6.759150 5.328082 0.000000 2.078136 4.951934 2.529370 5.392637 4.792586 5.070065 5.779717 4.045297 5.045206 5.418354 2.589427 4.918788 5.218795 4.778216 1.092709 2.179931 4.500112 2.782295 5.775414 5.121856 4.497778 4.773986 6.149561 4.209888 5.007461 4.194889 6.017813 5.114590 6.204396 6.027471 5.507865 6.163786 4.501207 1.773532 0.000000 2.593345 5.851506 4.644162 3.825024 4.632696 3.922719 4.241836 4.745831 6.214486 5.342753 3.914364 3.897932 6.873562 4.965334 2.139845 1.095459 4.284292 2.177332 5.061747 3.351388 4.929468 5.810755 5.183590 2.742836 3.899962 4.731243 6.840661 6.469638 5.629119 6.316477 6.929462 7.927136 6.560047 2.512376 3.068365 0.000000 3.330837 6.462247 4.826447 5.459970 5.905147 5.447674 5.588493 5.685042 7.005895 6.532212 4.487020 5.430375 7.418693 5.881979 2.131296 1.095003 5.111513 2.168000 6.434352 4.907047 5.295975 6.126398 6.478635 2.804059 3.488379 5.699560 7.811712 7.151572 6.983809 7.416049 7.547494 8.440095 6.859386 2.465943 2.545938 1.757015 0.000000 3.527220 3.270244 4.451164 2.716726 3.506044 4.534581 6.229674 4.335442 5.367206 3.016115 3.907897 3.323677 6.635903 2.168385 3.772231 4.327887 1.077945 5.608589 5.806871 4.941699 2.267194 3.285101 6.675420 6.454081 7.649703 5.048387 5.764616 5.123458 3.027153 3.994842 7.113492 7.422881 6.594496 3.113174 4.710012 3.751809 4.797174 0.000000 3.398995 7.234208 4.711936 6.153778 5.997415 5.163533 4.783227 5.325835 6.525060 7.034390 4.337753 5.658890 6.477327 6.760547 2.801928 2.163667 6.450114 1.095920 5.649104 4.627587 6.768924 7.222542 5.415977 2.140867 2.649729 4.935053 7.337406 6.955192 7.647912 7.738420 6.324696 7.510959 5.879937 3.787965 2.593930 3.073762 2.486660 6.308352 0.000000 2.581907 6.616338 4.414025 4.736497 4.668319 3.462643 3.092211 4.197848 5.550651 5.874630 3.629840 4.155757 5.716551 5.914494 2.743690 2.156250 5.772470 1.095295 3.945949 2.911119 6.439386 6.889938 3.722762 2.126984 3.239210 3.656254 6.184575 6.140855 6.379106 6.609594 5.443562 6.802861 5.396258 3.772150 3.026871 2.539940 3.061364 5.530272 1.764099 0.000000 4.384512 6.181224 5.311217 3.960056 2.908245 2.163654 3.320759 2.977369 3.616592 4.222605 4.271087 2.888657 4.162599 5.405133 5.783803 6.107251 6.175056 5.814538 1.076177 3.242618 7.314007 7.265262 2.239105 6.556030 7.735296 2.278370 3.275259 4.597787 4.476261 4.424543 3.603885 4.925007 4.839046 6.383021 6.230573 5.880627 7.201942 6.134335 6.388844 4.768082 0.000000 3.475285 6.533122 5.675394 2.701818 3.973104 2.141493 2.136547 4.507866 6.003459 5.003108 4.555370 2.727378 6.790572 5.357759 4.080329 3.417543 5.117720 3.456248 3.242150 1.077728 6.270255 6.988193 3.197605 3.563818 4.841520 4.176851 6.239398 6.563116 4.977993 5.944763 6.563774 7.828753 6.870317 4.583239 4.973227 2.638108 4.300757 4.444126 4.515727 2.991029 4.217513 0.000000 4.645910 3.271903 4.521346 5.384971 5.434194 6.821663 8.412363 5.685678 6.344310 4.747888 4.704967 5.698799 7.344212 3.286584 4.226004 5.146471 2.258053 6.600164 7.968923 7.212832 1.078512 2.178914 8.829900 7.632197 8.594896 6.547947 7.018912 5.730047 5.129171 5.357563 8.082510 7.977740 6.981066 3.158154 4.716274 5.055118 5.172162 2.761447 6.931235 6.811049 8.207704 6.713556 0.000000 5.120558 2.072764 3.780837 6.325602 5.340430 7.341450 9.198469 5.192839 5.160709 4.485696 4.430095 6.207337 5.982762 3.193340 5.128234 6.503706 3.303249 7.661273 8.146258 8.121843 2.242567 1.076603 9.215881 8.981202 9.978438 6.210342 5.856425 4.226298 5.207716 4.528394 6.952563 6.296339 5.635526 4.353508 5.228539 6.657410 6.767945 4.339331 7.779733 7.611758 8.051203 7.967683 2.742048 0.000000 5.478396 8.437050 6.902928 5.462863 5.184645 3.248821 2.153111 5.068325 5.956451 6.621065 5.856435 4.627974 6.068245 7.573892 6.545202 6.289878 8.014777 5.414245 2.199247 3.165415 9.130716 9.312296 1.078781 5.617529 6.531270 4.070960 5.857230 6.977199 6.809567 7.029257 5.232807 6.913902 6.467741 7.405508 6.916343 6.118696 7.302567 7.742752 5.967782 4.393416 2.757099 4.184490 9.847860 10.119599 0.000000 4.480449 8.270689 6.592860 5.366734 6.255458 4.548223 3.407037 6.255773 7.732859 7.331698 5.755730 5.279607 8.103585 7.328790 4.288418 2.912051 6.841595 2.203826 5.248686 3.342426 7.600790 8.398008 4.653193 1.088741 2.090126 5.772843 8.234279 8.284703 7.528932 8.249537 7.801214 9.195432 7.855469 5.019813 4.832487 2.696731 3.309320 6.234814 3.087774 2.499981 6.279631 2.851947 7.749751 9.227727 5.275414 0.000000 6.387040 10.260482 8.219931 7.775067 8.516710 6.865439 5.450237 8.293639 9.685286 9.601347 7.599439 7.648598 9.799136 9.462881 5.844928 4.438600 8.893830 3.502497 7.375572 5.679526 9.423850 10.219373 6.583298 2.112712 1.084236 7.751314 10.290167 10.228630 9.882384 10.485242 9.447476 10.870684 9.383438 6.589930 6.051483 4.617487 4.331803 8.345260 3.729593 4.138906 8.380426 5.277975 9.403964 10.927632 6.942537 2.431158 0.000000 5.686250 9.531938 7.154715 7.859596 8.158124 6.877649 5.814381 7.653860 8.916382 9.220153 6.752102 7.556010 8.844731 8.949151 4.965999 3.818106 8.449777 2.779320 7.335135 5.944471 8.773779 9.415070 6.722931 2.112629 1.086522 7.163050 9.661793 9.391850 9.691766 10.012580 8.571293 9.876546 8.269610 5.779333 4.865569 4.422978 3.626689 8.106808 2.462866 3.577595 8.224393 5.663522 8.751767 9.988758 7.098686 3.069862 1.848928 0.000000 C18H23N3O4 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2968098 0.1799673 0.1519048 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= 688 RedAO= T EigKep= 2.37D-06 NBF= 688 NBsUse= 688 1.00D-06 EigRej= -1.00D+00 NBFU= 688 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= 708 707 707 707 708 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1165.26071323115 -1165.26071323 1 1.160504484051e+03 -7.480984346707e+03 2.773099425295e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323590392 LenY= 11323081310 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= 48. Will process 49 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111111111111 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. 14851 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 11324620800 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= 800000000 NMat= 144 IRICut= 360 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= 144 NMatS0= 144 NMatT0= 0 NMatD0= 144 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 78.26% of shell-pairs survive, threshold= 0.20 IRatSp=78. There are 147 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 144 vectors produced by pass 0 Test12= 5.48D-14 1.00D-09 XBig12= 2.30D+02 4.52D+00. AX will form 144 AO Fock derivatives at one time. 144 vectors produced by pass 1 Test12= 5.48D-14 1.00D-09 XBig12= 6.37D+01 1.25D+00. 144 vectors produced by pass 2 Test12= 5.48D-14 1.00D-09 XBig12= 6.40D-01 8.92D-02. 144 vectors produced by pass 3 Test12= 5.48D-14 1.00D-09 XBig12= 3.09D-03 5.19D-03. 144 vectors produced by pass 4 Test12= 5.48D-14 1.00D-09 XBig12= 7.31D-06 2.40D-04. 123 vectors produced by pass 5 Test12= 5.48D-14 1.00D-09 XBig12= 1.15D-08 7.19D-06. 34 vectors produced by pass 6 Test12= 5.48D-14 1.00D-09 XBig12= 1.29D-11 2.63D-07. 3 vectors produced by pass 7 Test12= 5.48D-14 1.00D-09 XBig12= 1.44D-14 9.62D-09. InvSVY: IOpt=1 It= 1 EMax= 1.60D-14 Solved reduced A of dimension 880 with 147 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 237.23 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 274.982 4.623 233.711 -9.333 10.039 202.995 377.813 -1.152 346.631 -24.383 18.111 330.099 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT64499.100S Tue Jan 18 01:23:57 2022 -1.05119124e+00 -5.21787308e-02 6.32360079e-01 2.74982360e+02 4.62330852e+00 2.33710771e+02 -9.33343513e+00 1.00387821e+01 2.02995443e+02 -3.3649 -0.0004 0.0003 0.0007 1.4370 2.9409 10.3564 30.8357 33.4692 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 10.3132 30.8299 33.4599 48.1373 51.9652 63.1683 65.8243 72.8015 80.6968 84.1071 100.6197 110.9082 120.1061 132.5949 166.0003 176.7926 189.8757 215.2957 223.9976 241.4936 250.5470 264.2750 285.3352 301.5313 337.1628 364.6003 385.2604 442.5049 443.6908 477.7400 483.2341 509.5608 565.2912 596.8576 613.9797 634.9206 651.5720 652.7429 666.3002 720.7236 745.6472 749.3805 758.4303 773.2395 779.5583 803.8727 839.7408 845.6472 846.8629 878.8901 883.4070 889.6700 900.0351 905.9034 907.8671 915.8470 923.6362 943.2374 944.0852 962.6675 968.6812 978.9159 1020.8073 1023.4879 1032.7167 1038.1024 1052.0278 1061.7819 1078.3628 1086.0703 1102.4886 1112.2563 1124.5806 1148.9881 1158.4486 1166.0423 1174.2595 1203.7245 1217.8962 1236.0739 1242.9979 1249.7073 1267.9696 1274.9448 1295.7563 1301.1476 1316.8384 1317.4399 1321.5562 1341.1250 1345.7187 1358.4077 1380.2679 1389.2587 1393.6719 1404.5619 1414.1701 1417.5318 1421.4980 1434.0425 1454.1231 1477.5375 1481.8081 1497.4099 1498.3732 1502.1280 1503.9212 1512.1644 1515.0440 1516.6716 1550.3360 1622.3106 1702.0460 1746.3505 1794.1338 3015.2595 3025.0649 3027.8522 3035.0711 3045.6814 3052.6235 3073.0239 3078.9878 3091.0114 3095.2987 3098.3438 3104.7012 3116.2150 3117.7925 3126.3399 3141.8714 3205.8966 3239.3272 3239.7289 3257.0164 3262.2903 3275.3958 3277.5567 4.9650 4.7927 5.4490 4.7024 5.6095 3.0616 4.3150 3.5965 4.5266 4.7226 4.6659 3.0938 3.7506 3.0880 2.4389 4.6626 3.7733 4.3515 2.8077 3.3603 2.8327 1.9094 3.8524 2.9341 3.6851 4.6319 4.1948 2.3854 2.1617 2.9250 6.2296 3.3549 5.3404 4.5801 2.9923 4.5789 1.9548 3.1434 3.4019 3.1143 1.7797 1.2434 2.3512 1.4334 4.1204 2.4675 2.2962 1.4257 1.3646 1.8295 1.3879 2.1299 1.5599 2.6140 5.3583 6.2212 2.9579 2.6137 1.5531 1.9735 2.5707 2.2672 1.3777 1.4398 1.5252 2.5555 2.2468 2.3213 2.5271 1.5535 2.7770 1.9699 1.8341 3.0245 2.7096 1.9528 2.0184 3.4626 3.6581 3.0019 1.3684 1.6462 1.2052 1.5407 1.7530 2.3017 1.2573 2.3649 1.1401 1.2262 1.4135 1.5175 1.6747 1.3751 1.4672 2.9677 1.4930 1.5658 1.3417 2.0991 1.1759 1.0968 1.0875 1.1421 1.1476 2.3137 1.1235 1.1253 1.0559 3.9222 4.6604 6.2640 4.5072 11.7974 11.7614 1.0594 1.0403 1.0604 1.0638 1.0768 1.0823 1.1012 1.0956 1.0903 1.0646 1.1092 1.0889 1.1012 1.0605 1.0898 1.1056 1.1148 1.0935 1.0919 1.0990 1.0972 1.1044 1.1050 0.0003 0.0027 0.0036 0.0064 0.0089 0.0072 0.0110 0.0112 0.0174 0.0197 0.0278 0.0224 0.0319 0.0320 0.0396 0.0859 0.0802 0.1188 0.0830 0.1155 0.1048 0.0786 0.1848 0.1572 0.2468 0.3628 0.3668 0.2752 0.2507 0.3933 0.8571 0.5132 1.0055 0.9613 0.6646 1.0876 0.4890 0.7891 0.8899 0.9531 0.5830 0.4114 0.7968 0.5049 1.4753 0.9395 0.9540 0.6007 0.5766 0.8326 0.6381 0.9933 0.7445 1.2639 2.6021 3.0745 1.4867 1.3701 0.8156 1.0776 1.4212 1.2801 0.8458 0.8886 0.9584 1.6226 1.4651 1.5419 1.7314 1.0797 1.9887 1.4358 1.3666 2.3525 2.1425 1.5643 1.6397 2.9560 3.1969 2.7023 1.2457 1.5147 1.1417 1.4756 1.7341 2.2959 1.2845 2.4184 1.1732 1.2994 1.5081 1.6499 1.8798 1.5637 1.6790 3.4494 1.7592 1.8537 1.5974 2.5434 1.4649 1.4107 1.4069 1.5088 1.5180 3.0759 1.4972 1.5161 1.4280 5.3158 6.5997 9.7133 7.6931 21.1982 22.3059 5.6747 5.6089 5.7278 5.7739 5.8852 5.9422 6.1267 6.1198 6.1378 6.0093 6.2736 6.1839 6.3007 6.0737 6.2758 6.4300 6.7505 6.7608 6.7524 6.8687 6.8796 6.9805 6.9938 0.1568 0.0844 0.6982 0.1417 2.0412 0.5161 0.4582 0.8140 0.5257 1.8873 1.1588 0.5285 0.9761 1.3603 0.6647 0.3858 0.8857 4.1080 2.2073 0.3149 0.1942 2.5485 7.1989 3.5962 4.5007 4.6363 10.0736 10.9131 1.8552 2.4755 4.9558 11.9284 14.6350 0.0308 11.5312 0.3686 11.1772 0.7356 25.6806 5.9057 16.8240 49.6126 53.0321 9.1809 41.9742 18.7905 13.6882 33.9111 14.8134 1.8408 0.4312 8.3315 2.7657 6.8304 6.8926 4.3486 5.8799 27.3616 24.3594 1.1081 19.3911 31.5028 7.1186 26.8292 17.7974 62.1725 8.9182 30.9267 2.1579 26.8685 8.4532 4.1223 21.6068 36.6816 31.0379 29.0865 9.7973 37.6651 206.6299 70.6443 4.2035 41.8615 3.5120 53.5154 62.0626 74.9497 10.5732 161.7696 7.1204 1.8998 42.9099 25.8971 3.6021 13.5161 0.3271 168.9409 30.5646 16.9366 17.3194 103.6518 0.8699 41.5999 5.9248 14.7993 11.2710 33.6266 7.8349 1.1011 12.0532 13.0842 11.8044 0.4998 18.1867 320.8400 235.4662 7.7313 28.9384 24.4254 17.9437 4.1529 4.2945 40.5798 9.3475 20.6408 16.3619 16.9611 10.5674 14.4697 20.2206 5.0696 0.7345 16.3516 4.1533 1.8065 0.5103 0.6176 0.6190 0.0726 -0.00 -0.03 -0.09 -0.03 0.04 0.04 0.04 -0.06 -0.04 -0.09 0.06 -0.04 -0.02 0.01 0.01 -0.01 -0.04 -0.04 -0.00 -0.12 -0.09 0.02 -0.03 0.00 0.05 -0.05 0.05 -0.04 0.05 0.04 0.02 -0.04 -0.05 -0.04 0.02 -0.02 0.09 -0.09 0.04 -0.05 0.05 0.01 0.03 -0.02 -0.11 0.08 0.04 -0.02 -0.08 0.06 -0.03 -0.00 0.07 0.09 0.05 -0.08 -0.00 -0.04 -0.07 -0.10 -0.08 0.05 -0.03 -0.04 0.04 0.01 0.05 -0.13 -0.04 0.05 0.14 0.18 0.03 0.15 0.23 0.03 -0.05 -0.01 0.04 -0.03 0.08 0.04 -0.04 0.06 -0.06 0.07 0.04 -0.02 0.05 0.07 0.10 -0.11 0.04 0.11 -0.10 0.08 0.09 -0.11 0.01 0.09 -0.03 -0.19 -0.04 -0.06 -0.13 0.15 0.07 -0.01 0.13 0.05 -0.02 -0.11 0.07 -0.05 -0.06 0.04 0.08 -0.06 0.05 0.09 0.08 -0.06 0.04 -0.09 -0.04 -0.13 -0.09 0.05 -0.06 -0.02 0.03 0.02 0.10 -0.17 -0.02 0.11 0.20 0.22 0.08 0.21 0.30 -0.02 0.10 0.20 -0.00 0.00 -0.02 0.06 -0.10 0.01 0.04 0.03 0.03 -0.08 0.07 -0.02 -0.03 0.02 0.03 -0.05 0.07 -0.04 -0.05 0.09 -0.07 0.03 0.02 0.02 0.06 0.03 0.06 -0.04 -0.00 0.06 0.02 0.02 0.01 -0.06 0.05 -0.01 0.13 0.04 0.05 0.02 -0.02 0.00 -0.03 -0.00 -0.03 -0.02 -0.03 -0.01 0.03 0.03 -0.07 -0.02 -0.06 0.01 -0.05 0.08 -0.06 -0.05 0.07 -0.04 0.09 -0.02 -0.11 0.10 -0.10 -0.05 -0.05 0.10 -0.08 0.01 -0.18 0.09 -0.06 -0.20 0.21 0.04 0.01 -0.02 0.05 0.03 0.07 0.06 0.03 0.11 -0.10 0.05 0.08 -0.04 -0.06 0.13 0.14 0.04 0.00 0.15 0.04 0.08 0.15 0.04 0.04 -0.03 0.02 -0.05 -0.05 -0.02 -0.04 0.01 -0.04 -0.01 -0.05 -0.04 0.00 0.01 0.10 -0.10 -0.11 0.00 0.04 0.04 -0.03 -0.07 -0.06 0.08 -0.06 -0.05 0.06 -0.03 0.12 -0.00 -0.17 0.14 -0.16 -0.06 -0.05 0.12 -0.10 0.09 -0.27 0.05 -0.03 -0.30 0.26 -0.14 -0.12 0.25 0.03 -0.04 -0.07 -0.06 0.11 0.05 0.03 -0.07 -0.08 0.09 -0.06 -0.00 0.03 -0.02 -0.04 0.01 0.05 -0.00 -0.00 0.19 0.04 0.02 -0.05 -0.04 0.01 -0.07 -0.04 0.04 -0.01 -0.05 0.03 -0.05 -0.07 0.05 -0.02 -0.02 -0.02 -0.11 -0.03 -0.03 0.01 0.03 0.03 -0.04 -0.10 0.05 -0.03 -0.07 -0.09 -0.05 0.09 0.03 -0.04 -0.03 -0.07 0.08 -0.03 0.05 0.11 0.04 -0.14 0.02 0.16 -0.12 0.11 0.13 -0.08 0.17 -0.01 0.06 -0.10 0.04 0.03 -0.08 0.14 0.01 -0.05 -0.02 0.02 -0.06 -0.02 0.01 -0.07 -0.08 0.08 -0.08 -0.07 0.04 0.06 -0.11 -0.02 -0.12 0.01 -0.03 -0.12 -0.03 -0.03 -0.13 -0.05 0.05 -0.03 -0.13 0.01 -0.06 -0.11 0.08 -0.02 -0.07 0.05 -0.03 -0.08 -0.08 -0.13 0.10 -0.04 -0.01 -0.02 0.05 -0.03 -0.08 -0.12 0.04 -0.06 0.12 0.10 0.06 -0.19 -0.00 0.22 -0.14 0.19 0.15 -0.14 0.23 -0.02 0.12 -0.17 0.01 0.06 -0.13 0.20 -0.03 -0.01 0.18 -0.05 -0.09 0.04 -0.04 -0.00 -0.07 -0.05 -0.02 0.05 0.05 -0.10 0.07 0.05 -0.04 0.04 0.04 -0.02 0.02 0.04 0.13 -0.09 0.05 -0.04 0.04 0.09 0.02 0.06 0.04 -0.00 0.04 -0.02 -0.05 0.04 0.05 -0.07 0.05 0.13 0.02 0.05 0.01 0.00 -0.01 -0.06 -0.09 0.06 -0.07 -0.10 0.05 -0.01 0.01 -0.04 -0.08 -0.01 -0.01 0.01 0.02 -0.03 0.06 0.05 -0.02 -0.08 0.01 -0.12 -0.10 0.00 -0.13 0.01 0.11 -0.10 -0.09 0.04 -0.04 0.01 0.24 0.03 0.08 -0.08 0.03 0.13 0.03 0.05 0.06 0.07 0.08 0.04 0.03 0.05 0.06 -0.01 0.07 0.16 -0.03 0.03 0.16 0.06 0.06 0.09 0.01 0.05 -0.07 -0.09 0.08 -0.05 -0.07 0.07 -0.09 -0.15 0.03 -0.04 -0.09 0.11 0.02 0.01 -0.01 -0.03 0.04 0.00 -0.13 -0.02 -0.06 -0.02 -0.02 -0.01 0.09 0.03 0.00 -0.11 0.01 -0.16 -0.15 -0.00 -0.18 -0.02 0.17 -0.15 -0.18 -0.09 -0.12 -0.00 0.28 0.01 0.10 0.37 0.10 -0.12 -0.07 -0.15 0.16 -0.03 0.14 0.10 0.05 0.12 0.06 0.02 -0.02 0.02 -0.02 -0.03 0.02 0.01 0.02 0.01 -0.01 0.13 0.01 -0.01 -0.03 0.02 0.02 -0.04 0.03 -0.03 -0.04 0.00 -0.01 -0.01 0.03 0.00 -0.02 0.04 0.10 -0.06 0.03 -0.03 -0.00 -0.11 -0.07 -0.15 -0.09 -0.04 -0.10 -0.07 -0.03 -0.09 -0.14 -0.03 -0.04 -0.01 0.01 0.03 0.03 -0.00 0.08 0.01 -0.03 0.01 0.15 -0.02 0.15 -0.01 -0.00 0.09 -0.11 0.07 0.00 -0.08 0.13 0.03 0.01 -0.02 -0.03 0.00 -0.01 -0.09 0.02 0.01 0.00 0.05 -0.07 -0.05 0.03 -0.01 -0.06 0.03 0.12 -0.11 0.04 0.12 -0.07 0.06 0.13 -0.01 -0.09 -0.06 -0.20 -0.15 -0.08 -0.16 -0.05 -0.02 -0.10 -0.07 -0.04 -0.11 -0.18 -0.04 -0.19 -0.15 -0.07 -0.06 -0.19 -0.05 0.00 -0.02 0.01 -0.01 0.06 -0.01 0.09 -0.04 -0.03 -0.01 0.26 -0.02 0.26 -0.03 -0.00 0.12 -0.12 0.09 0.01 -0.06 0.21 0.06 -0.08 0.12 0.02 0.03 0.00 -0.00 -0.03 -0.01 -0.01 0.03 0.01 0.00 -0.01 -0.05 -0.01 -0.00 -0.02 -0.01 -0.02 0.00 -0.02 -0.04 -0.02 0.14 0.03 0.00 -0.01 0.07 0.03 0.02 -0.01 -0.01 0.01 0.03 0.01 -0.00 -0.01 -0.03 -0.02 0.14 0.06 -0.00 -0.02 -0.01 -0.00 0.03 0.00 -0.02 0.05 0.03 0.02 -0.05 -0.01 -0.03 0.03 -0.04 0.12 -0.06 0.06 -0.10 -0.01 -0.05 0.12 -0.08 -0.01 -0.07 -0.07 -0.01 -0.05 -0.07 0.05 0.00 0.02 0.11 0.08 0.00 -0.07 -0.12 0.05 0.00 -0.05 0.06 0.02 0.00 0.06 0.03 0.07 -0.03 -0.00 0.02 -0.00 -0.02 0.03 0.14 0.06 -0.06 0.16 0.07 0.03 0.16 0.06 0.00 0.05 0.01 -0.07 -0.02 -0.03 -0.03 0.09 0.10 0.04 0.04 0.03 -0.05 -0.05 -0.01 -0.04 0.05 -0.19 0.06 -0.01 -0.06 0.27 -0.08 0.09 -0.20 0.02 -0.10 0.20 -0.10 -0.00 -0.09 -0.08 -0.01 -0.07 -0.10 0.08 -0.02 0.03 0.37 0.22 -0.01 0.04 -0.15 -0.00 -0.34 -0.27 0.01 -0.04 -0.01 -0.08 0.00 -0.06 -0.04 -0.00 -0.07 -0.04 0.16 -0.11 -0.02 -0.01 -0.05 -0.03 0.05 -0.04 -0.05 -0.07 0.15 0.03 -0.01 -0.05 0.09 0.03 -0.01 -0.03 -0.01 -0.01 -0.01 -0.02 -0.05 -0.03 0.08 -0.07 0.18 0.04 -0.03 -0.01 -0.01 0.01 0.00 -0.04 0.07 -0.01 -0.09 0.05 0.07 -0.03 0.11 0.01 -0.03 -0.04 -0.04 0.02 0.01 -0.04 -0.01 0.06 0.06 -0.02 0.10 -0.04 -0.00 -0.00 -0.05 -0.05 0.12 -0.01 -0.08 -0.07 0.07 0.13 0.04 0.06 -0.05 -0.09 0.10 0.03 -0.01 0.06 0.06 0.05 -0.05 -0.02 -0.02 -0.02 -0.02 0.00 0.21 0.01 -0.09 0.23 0.07 0.02 0.18 0.04 -0.03 -0.02 -0.07 0.13 0.03 0.04 0.09 -0.04 -0.17 0.02 -0.02 -0.09 0.13 0.14 -0.04 0.17 0.04 0.06 -0.01 0.01 -0.02 -0.12 -0.04 0.05 -0.04 -0.03 -0.01 0.05 0.11 -0.03 0.16 -0.09 0.01 -0.05 -0.05 -0.09 0.19 -0.08 -0.27 -0.19 0.06 0.10 0.02 0.15 0.33 0.15 -0.05 -0.04 -0.03 -0.02 0.00 -0.04 -0.09 -0.03 -0.07 0.02 0.04 -0.01 0.01 0.01 -0.00 0.02 0.02 -0.00 0.02 0.06 -0.09 0.01 -0.02 -0.01 0.04 0.01 0.01 0.02 -0.00 -0.00 -0.05 -0.03 -0.04 0.01 0.03 -0.00 0.05 -0.05 0.02 0.04 -0.01 0.02 -0.06 -0.04 -0.05 -0.04 -0.01 0.00 0.15 -0.02 0.13 -0.09 -0.03 0.09 0.03 0.00 0.02 0.01 0.05 -0.07 0.14 -0.02 0.14 0.04 -0.00 0.03 0.03 0.03 -0.03 -0.08 0.12 0.09 -0.11 -0.05 -0.08 0.03 -0.06 -0.00 0.08 0.04 0.04 0.01 0.06 -0.01 0.02 -0.01 -0.01 0.01 -0.01 -0.01 0.09 -0.10 0.03 0.08 -0.02 0.03 -0.00 -0.08 -0.02 -0.04 -0.03 -0.11 -0.11 -0.08 -0.06 0.01 0.05 0.02 -0.02 -0.00 -0.04 0.21 -0.03 0.20 -0.08 -0.14 0.05 -0.15 -0.05 0.20 0.03 -0.02 0.07 0.01 0.08 -0.10 0.21 -0.03 0.22 -0.00 0.01 -0.01 0.03 0.02 -0.03 -0.05 0.38 0.23 -0.11 0.05 -0.08 -0.15 -0.31 -0.22 0.03 -0.02 0.07 0.13 0.04 0.11 -0.14 -0.05 -0.14 -0.02 0.01 -0.03 -0.01 0.02 -0.02 -0.01 -0.01 -0.02 -0.01 0.01 0.01 -0.00 -0.01 -0.02 0.02 -0.01 -0.01 -0.02 0.06 -0.03 -0.05 -0.03 -0.05 -0.01 0.01 -0.02 -0.01 -0.14 0.02 -0.03 0.07 -0.04 -0.00 -0.03 0.13 -0.01 -0.09 0.14 -0.09 0.08 -0.13 0.02 -0.07 0.09 -0.02 0.04 -0.08 -0.00 -0.02 0.03 0.04 0.06 -0.02 0.18 0.04 0.13 -0.02 0.05 -0.06 -0.02 -0.02 0.00 0.05 0.05 -0.06 0.01 -0.04 -0.02 0.08 0.04 0.06 -0.02 0.05 -0.07 -0.01 0.07 -0.03 -0.00 0.07 -0.02 0.04 -0.23 0.09 0.01 -0.11 0.02 -0.11 -0.19 -0.05 -0.01 -0.04 0.16 -0.01 0.02 0.14 -0.01 -0.13 0.12 -0.03 -0.09 0.18 -0.20 0.11 -0.25 0.09 -0.08 0.08 -0.01 -0.08 0.12 -0.03 0.05 -0.12 0.01 -0.06 0.08 0.03 0.07 -0.05 0.31 0.01 0.25 -0.03 0.08 -0.10 -0.11 -0.02 -0.01 0.01 0.09 -0.13 0.15 0.05 -0.05 -0.02 -0.08 0.00 0.01 -0.01 0.03 0.05 -0.00 0.09 0.02 0.20 -0.10 0.02 -0.07 -0.02 0.01 0.05 0.01 0.02 0.10 -0.10 0.00 -0.05 -0.03 -0.00 -0.03 -0.05 0.02 -0.05 -0.03 0.01 -0.04 0.02 0.01 0.07 -0.04 0.01 0.06 -0.06 -0.02 -0.04 -0.02 0.04 -0.05 0.13 0.04 -0.05 0.14 -0.11 -0.06 -0.07 0.03 0.03 0.08 0.02 -0.04 0.14 0.01 0.13 -0.13 -0.14 -0.03 -0.05 -0.06 -0.00 0.01 0.02 -0.01 0.07 0.01 0.04 0.03 -0.02 -0.09 -0.08 0.00 -0.06 -0.02 -0.02 -0.06 -0.10 0.01 -0.05 -0.01 0.04 -0.07 -0.04 0.02 -0.03 -0.05 -0.01 0.10 -0.11 -0.00 0.07 -0.08 0.04 0.09 -0.01 0.06 -0.13 0.18 0.05 0.04 0.16 0.03 -0.12 0.12 0.07 -0.05 0.22 -0.16 -0.09 -0.11 0.08 0.07 0.10 -0.01 0.02 0.04 0.02 -0.10 0.25 0.01 0.22 -0.26 -0.21 -0.03 -0.08 -0.05 0.02 0.04 0.02 -0.06 0.14 0.00 0.14 0.09 -0.04 -0.10 -0.13 -0.02 -0.19 -0.14 -0.01 -0.04 -0.08 -0.05 0.02 -0.05 0.18 0.05 0.16 -0.04 0.14 -0.05 0.00 0.01 0.01 0.00 0.01 0.01 0.00 -0.03 -0.01 0.01 0.00 0.01 -0.06 -0.08 -0.02 -0.00 0.03 0.01 0.08 0.01 0.03 -0.02 0.06 -0.01 -0.18 -0.09 0.01 0.00 0.03 0.01 -0.02 -0.05 0.01 -0.01 -0.11 0.05 0.06 0.03 0.06 -0.01 -0.16 0.09 0.03 0.09 -0.12 -0.02 -0.06 0.06 0.04 0.03 0.02 -0.04 0.02 -0.05 0.04 0.06 -0.13 -0.02 -0.03 0.03 0.07 0.06 -0.03 -0.03 0.07 0.03 -0.09 -0.09 -0.01 -0.02 -0.13 -0.09 -0.00 0.03 0.01 -0.00 0.03 0.01 -0.22 -0.05 0.09 -0.25 -0.13 -0.06 -0.18 -0.09 0.01 -0.02 -0.06 0.02 -0.05 0.01 0.02 0.03 -0.10 0.05 -0.06 -0.12 0.05 0.11 0.04 0.11 0.04 -0.26 0.04 -0.04 -0.18 0.19 0.04 0.14 -0.18 -0.04 -0.13 0.16 0.07 0.03 0.04 -0.08 0.02 -0.10 0.06 0.11 -0.22 -0.11 0.00 0.04 0.05 0.18 -0.08 0.16 0.03 -0.05 -0.07 -0.07 -0.09 -0.01 0.04 -0.03 0.07 0.00 0.08 -0.00 -0.04 -0.00 -0.00 0.01 -0.01 -0.00 -0.03 -0.00 -0.01 -0.02 0.05 0.00 -0.03 -0.01 0.02 -0.04 0.01 -0.01 0.05 -0.01 0.00 -0.03 -0.02 -0.00 -0.03 -0.01 0.03 -0.09 0.02 -0.01 0.05 -0.03 0.03 -0.03 0.08 0.03 -0.01 0.08 0.03 0.05 -0.00 -0.01 0.22 -0.07 -0.03 0.01 -0.05 0.00 -0.04 0.05 0.06 0.04 0.01 0.03 0.03 -0.01 -0.03 0.01 -0.01 -0.01 0.07 -0.03 -0.12 -0.09 -0.01 0.01 -0.04 -0.01 0.03 -0.02 0.04 0.00 -0.02 -0.00 -0.00 0.06 -0.01 0.00 0.05 -0.00 0.05 -0.12 0.03 0.04 -0.07 0.03 -0.01 -0.10 -0.01 0.06 -0.15 0.17 0.07 0.10 0.12 -0.02 -0.21 0.02 0.13 0.00 0.28 0.05 0.06 0.02 -0.02 0.45 0.02 -0.04 0.23 -0.32 -0.04 0.01 -0.09 0.02 -0.07 0.09 0.10 0.04 0.04 0.03 0.03 -0.01 -0.05 0.04 -0.03 0.08 0.04 -0.04 -0.12 -0.25 0.01 -0.22 -0.07 -0.00 0.02 0.04 0.05 0.02 -0.07 0.05 -0.06 0.02 -0.04 0.02 0.14 -0.04 0.03 -0.02 0.00 0.04 0.03 0.01 0.04 -0.06 0.03 0.04 0.04 0.01 0.05 0.08 -0.00 0.04 -0.09 0.02 -0.00 0.04 0.01 0.02 0.06 -0.01 -0.05 -0.14 0.05 0.04 -0.10 0.05 -0.02 0.03 -0.00 -0.03 0.04 -0.02 -0.04 -0.11 0.01 -0.04 0.10 -0.06 0.08 0.08 -0.08 0.02 -0.05 0.07 -0.12 -0.09 -0.03 -0.07 -0.06 -0.00 0.08 0.03 -0.07 -0.03 0.04 -0.02 -0.08 -0.01 0.02 0.05 0.03 -0.02 0.20 0.15 0.08 -0.01 0.19 -0.13 0.03 -0.13 0.01 0.02 -0.09 -0.01 0.08 -0.34 0.20 -0.00 -0.01 0.01 -0.30 -0.23 -0.02 -0.03 0.06 -0.01 -0.01 0.00 -0.01 -0.05 0.01 -0.03 0.00 0.05 0.01 -0.06 -0.14 -0.01 -0.06 0.17 -0.03 -0.04 0.11 -0.14 0.10 0.14 -0.13 -0.02 -0.11 0.15 -0.19 -0.09 -0.07 -0.10 -0.04 -0.01 0.11 0.05 -0.12 0.02 0.02 -0.03 -0.07 -0.07 0.06 -0.14 0.01 0.03 -0.01 -0.03 0.03 -0.01 0.00 0.00 -0.08 -0.10 -0.06 0.01 0.13 -0.00 -0.01 -0.03 0.03 0.02 -0.05 0.11 0.03 -0.01 -0.02 -0.04 -0.05 0.02 -0.07 -0.09 0.01 -0.01 0.00 0.00 -0.04 -0.07 -0.00 0.00 0.02 0.05 0.03 0.17 -0.05 -0.02 0.01 -0.01 0.02 -0.03 -0.01 0.02 0.02 -0.03 -0.01 0.00 -0.00 0.01 0.05 -0.04 0.05 0.04 -0.04 0.00 -0.08 0.11 0.01 0.00 0.02 0.01 0.00 0.02 0.06 0.07 -0.12 0.02 0.02 -0.01 -0.01 -0.02 0.02 -0.05 -0.05 0.05 -0.23 -0.17 -0.10 0.01 -0.22 0.15 0.02 0.01 0.01 -0.01 0.01 -0.00 -0.14 0.43 -0.21 -0.04 -0.01 -0.00 0.36 0.28 0.03 0.03 -0.03 -0.02 0.04 -0.06 -0.02 -0.00 0.01 -0.03 0.05 0.02 -0.03 -0.02 0.00 -0.01 -0.01 0.08 -0.03 0.01 0.05 -0.08 0.06 0.07 -0.06 -0.02 -0.15 0.20 0.02 0.00 0.03 0.03 0.00 0.03 0.08 0.14 -0.24 0.06 0.01 -0.01 0.00 -0.05 0.04 -0.06 -0.01 0.01 0.06 0.04 -0.05 0.03 -0.02 0.04 0.03 0.01 -0.11 0.01 -0.07 0.05 0.00 0.07 0.00 0.00 0.08 -0.05 0.01 -0.03 0.02 0.01 0.04 -0.00 -0.05 -0.10 0.03 0.01 -0.01 0.03 0.05 0.04 -0.06 0.00 0.03 0.00 0.01 -0.01 0.00 0.05 -0.02 0.06 -0.03 0.02 0.00 -0.02 -0.08 0.08 0.01 -0.02 0.02 -0.05 0.02 0.02 0.03 0.05 -0.01 -0.01 0.03 -0.03 -0.05 -0.02 -0.03 -0.03 -0.01 -0.02 0.03 -0.02 0.03 -0.06 0.01 -0.00 -0.05 0.01 -0.02 -0.02 0.09 0.02 -0.23 -0.15 0.02 0.06 -0.26 0.09 -0.01 -0.04 0.02 -0.00 -0.04 0.02 -0.23 0.33 -0.05 -0.12 -0.36 0.09 0.42 0.05 -0.04 -0.05 0.05 -0.01 -0.09 0.06 0.01 0.03 -0.22 0.03 -0.03 -0.09 0.24 0.01 -0.03 0.02 -0.02 0.10 0.05 -0.08 0.01 -0.06 0.05 0.07 -0.01 -0.04 0.04 -0.04 -0.09 -0.01 -0.07 -0.06 -0.01 -0.04 0.06 -0.06 0.07 -0.08 -0.01 -0.01 -0.07 -0.01 -0.04 -0.03 0.03 -0.01 0.15 -0.04 0.18 -0.00 0.01 0.04 -0.02 -0.06 -0.02 -0.08 0.02 -0.09 0.09 -0.07 0.03 0.02 0.01 -0.14 -0.01 0.01 0.07 0.11 -0.04 0.04 0.04 -0.02 -0.06 0.03 0.04 0.11 0.08 -0.04 0.08 0.01 -0.03 -0.07 -0.16 0.09 -0.03 0.00 0.05 0.07 0.01 -0.09 -0.01 -0.01 -0.07 -0.07 0.03 0.09 0.03 -0.07 0.02 -0.08 -0.06 -0.02 -0.08 0.05 0.02 -0.05 0.03 0.06 -0.03 0.01 0.01 -0.02 -0.08 -0.02 0.05 -0.03 0.08 0.00 -0.09 0.01 0.03 0.10 -0.02 0.05 0.06 -0.05 -0.14 0.07 -0.05 -0.11 -0.02 0.07 0.12 0.09 0.06 0.17 -0.20 0.14 0.05 -0.26 0.09 -0.18 -0.18 0.13 0.06 -0.05 0.05 -0.08 0.02 -0.23 -0.05 -0.05 -0.09 -0.07 0.04 -0.06 -0.04 0.03 0.13 0.04 -0.09 0.07 -0.06 -0.14 0.01 -0.13 -0.10 -0.04 -0.13 0.11 0.04 -0.07 0.04 0.07 -0.07 0.00 -0.03 -0.05 -0.13 -0.04 0.13 0.06 0.18 0.07 -0.04 0.03 0.12 -0.20 -0.09 -0.02 0.11 0.08 0.18 -0.00 0.05 -0.08 0.05 0.05 0.09 0.02 0.04 -0.05 -0.01 -0.06 -0.04 -0.00 -0.04 0.01 -0.01 0.01 -0.01 -0.03 0.01 -0.02 -0.03 -0.09 0.04 0.00 -0.01 -0.10 0.06 0.05 0.08 0.00 -0.02 -0.03 0.14 -0.14 0.01 -0.02 -0.00 -0.13 -0.01 0.04 0.04 -0.07 0.03 -0.06 -0.02 -0.04 -0.06 -0.07 -0.02 -0.03 -0.02 -0.04 0.01 0.01 -0.01 -0.00 0.01 -0.01 0.05 0.02 0.05 0.03 -0.03 -0.00 -0.01 -0.06 0.03 0.01 -0.08 0.02 0.03 -0.06 0.08 -0.04 -0.15 -0.09 0.10 0.02 -0.17 0.09 0.05 0.02 -0.09 -0.00 -0.01 -0.11 -0.00 0.06 -0.07 0.11 -0.41 0.18 0.44 -0.13 -0.11 -0.10 0.15 0.05 0.05 -0.05 0.02 -0.12 0.12 -0.03 -0.08 0.03 -0.15 -0.03 -0.09 -0.07 -0.09 -0.08 -0.05 -0.07 -0.03 0.03 -0.03 -0.05 0.01 0.02 -0.01 -0.01 0.03 -0.02 0.14 0.05 0.09 0.08 -0.04 0.01 -0.01 -0.02 0.07 0.03 -0.05 0.05 0.08 -0.12 -0.02 0.01 -0.14 -0.11 0.03 0.07 0.05 -0.03 -0.10 -0.01 0.11 -0.02 -0.06 0.03 0.02 0.01 0.02 -0.01 0.19 -0.16 -0.01 -0.08 0.05 -0.01 -0.04 0.03 -0.01 -0.04 0.03 0.05 -0.01 -0.02 -0.10 -0.07 0.05 0.00 0.05 -0.02 -0.00 -0.02 0.03 0.08 -0.01 -0.04 0.03 -0.06 0.09 -0.01 0.10 -0.08 0.03 -0.04 -0.02 0.04 -0.02 -0.03 0.05 0.14 -0.11 -0.04 0.05 -0.07 -0.03 -0.00 0.01 0.00 0.06 0.00 0.05 -0.03 0.02 0.06 -0.00 0.00 0.04 -0.01 0.03 0.01 -0.09 0.04 -0.05 -0.05 0.03 0.00 -0.07 0.04 0.06 0.02 -0.01 0.03 -0.05 -0.02 -0.14 0.16 0.02 -0.09 -0.21 0.07 0.20 0.01 -0.01 0.04 -0.18 0.20 0.18 -0.00 0.11 -0.14 0.32 -0.00 0.02 0.12 -0.32 0.02 -0.10 -0.02 0.01 -0.13 -0.07 0.08 -0.02 0.09 0.08 0.20 -0.14 -0.09 0.05 -0.07 -0.08 -0.01 0.02 -0.01 0.10 0.02 0.09 -0.11 0.09 0.10 0.04 0.03 0.07 0.02 0.07 0.01 -0.05 0.00 0.10 0.00 0.05 -0.01 0.03 -0.07 0.06 -0.06 -0.01 0.03 -0.05 0.09 -0.05 -0.00 0.02 -0.05 0.12 0.01 -0.04 -0.06 -0.02 -0.01 -0.02 0.01 -0.00 -0.00 0.01 -0.02 -0.01 -0.06 0.05 -0.02 0.01 -0.03 0.04 0.05 -0.01 0.07 0.00 -0.03 -0.01 -0.11 0.01 -0.03 -0.02 0.01 -0.10 0.00 -0.03 -0.04 -0.05 -0.02 -0.01 -0.03 0.05 0.10 0.02 -0.10 0.03 -0.00 0.01 -0.02 0.04 0.02 0.03 0.03 0.06 -0.01 -0.01 -0.00 0.04 0.00 -0.03 0.00 0.01 -0.02 0.01 -0.02 0.02 -0.02 -0.03 -0.02 0.02 0.03 0.03 0.03 -0.04 -0.05 -0.03 -0.07 0.24 -0.25 -0.04 0.15 0.48 -0.10 -0.40 0.05 0.15 -0.02 0.05 -0.06 -0.02 -0.08 -0.04 0.04 -0.21 -0.03 0.01 -0.11 0.12 -0.04 -0.08 -0.06 -0.02 0.05 -0.01 -0.08 -0.02 -0.09 0.11 0.16 0.06 -0.20 0.01 0.00 0.03 -0.03 0.12 0.05 0.06 0.08 0.14 -0.06 -0.02 0.03 0.10 0.04 -0.00 0.03 0.05 -0.08 -0.06 -0.03 -0.00 0.02 0.01 0.12 0.09 -0.07 -0.01 -0.04 0.01 -0.11 0.04 -0.01 0.02 0.01 0.05 -0.01 -0.05 -0.03 -0.03 0.00 0.00 0.00 -0.01 0.06 0.00 0.01 0.07 0.07 -0.02 -0.02 -0.00 -0.01 0.03 -0.02 -0.01 0.01 -0.03 0.05 0.07 0.14 -0.03 -0.09 -0.04 0.00 -0.13 0.05 0.03 0.08 0.06 -0.11 -0.03 0.01 0.07 0.09 -0.06 -0.05 -0.03 -0.00 -0.03 -0.01 -0.05 -0.02 0.03 -0.00 0.11 0.00 -0.07 -0.01 -0.01 -0.04 -0.06 -0.01 0.01 -0.00 -0.05 0.01 -0.02 0.06 0.01 0.00 0.04 0.00 0.01 0.07 0.07 0.07 0.01 0.02 -0.12 0.01 -0.02 0.03 0.08 -0.03 0.08 0.03 -0.06 0.06 0.11 0.05 0.09 -0.35 -0.24 -0.15 -0.17 0.17 -0.05 0.05 0.06 0.03 0.17 0.05 -0.23 -0.04 0.03 0.15 0.11 0.05 0.09 -0.00 -0.09 -0.07 -0.06 0.03 -0.02 -0.01 -0.15 -0.04 0.09 -0.04 0.21 0.03 -0.10 0.01 -0.00 -0.16 -0.25 -0.12 -0.08 -0.12 -0.20 0.15 0.17 0.05 0.01 0.00 -0.04 0.11 0.05 0.01 0.02 0.00 -0.05 -0.06 0.02 0.01 -0.02 0.09 0.01 -0.02 -0.08 0.04 -0.03 0.02 -0.02 -0.02 0.02 -0.00 -0.02 -0.01 0.02 0.03 -0.00 -0.01 0.01 0.01 -0.05 -0.02 0.00 0.01 0.00 0.02 0.01 0.15 -0.02 0.03 0.04 0.02 0.12 -0.05 -0.07 -0.06 0.07 -0.05 0.02 -0.01 -0.08 -0.10 -0.05 -0.06 0.02 -0.02 -0.03 0.01 -0.06 0.00 -0.03 -0.03 0.06 -0.03 -0.06 0.00 -0.02 0.05 0.07 0.01 -0.01 0.00 0.05 -0.03 0.01 0.02 -0.05 -0.02 0.01 -0.01 -0.03 0.04 0.01 -0.01 -0.01 -0.02 -0.07 -0.01 0.11 -0.11 -0.03 0.08 0.20 -0.02 -0.15 0.02 0.07 -0.05 -0.08 0.37 0.23 0.20 0.18 -0.15 -0.06 -0.06 -0.08 -0.07 -0.07 0.07 -0.11 0.02 -0.02 -0.13 -0.11 -0.06 -0.10 -0.03 -0.07 -0.08 0.02 0.00 -0.04 0.02 -0.17 -0.01 -0.06 -0.08 0.11 -0.05 -0.07 0.03 -0.04 0.18 0.28 0.14 0.09 0.14 0.21 -0.16 -0.20 -0.07 -0.01 -0.02 -0.03 -0.02 0.00 -0.05 -0.02 0.04 -0.02 -0.01 0.00 0.02 -0.01 -0.01 0.02 -0.02 -0.01 0.03 -0.02 0.00 -0.01 0.05 0.03 0.02 0.09 0.12 0.01 -0.01 -0.01 -0.01 0.01 0.02 -0.00 -0.01 -0.00 0.02 -0.06 0.02 0.06 -0.03 -0.02 -0.08 0.01 -0.03 -0.01 0.01 -0.08 -0.01 -0.03 -0.04 -0.04 0.02 -0.02 -0.05 -0.01 -0.01 0.03 -0.02 -0.00 0.01 0.01 -0.03 0.04 0.02 0.00 0.03 -0.01 0.00 -0.00 0.06 0.04 0.00 0.03 -0.01 0.01 0.08 0.00 -0.02 0.21 0.16 0.04 0.03 0.22 -0.09 0.00 0.05 0.01 -0.01 -0.03 0.02 -0.33 0.34 0.24 -0.29 -0.40 0.08 0.27 0.03 -0.07 0.00 -0.04 0.01 0.01 0.00 -0.00 0.02 -0.17 -0.04 -0.00 -0.08 0.08 -0.04 -0.07 -0.05 0.02 0.02 -0.04 -0.02 -0.03 -0.09 -0.00 -0.01 0.04 -0.03 -0.00 0.01 0.03 -0.04 0.10 0.04 0.02 0.06 -0.00 0.00 -0.01 0.13 0.15 0.07 0.08 0.06 0.09 -0.04 -0.12 -0.05 0.02 -0.06 0.13 0.07 0.02 0.07 -0.08 0.10 0.10 0.06 -0.02 0.01 -0.04 0.05 -0.04 -0.07 0.01 0.08 -0.07 -0.03 -0.05 -0.03 -0.00 -0.07 -0.01 0.02 -0.09 -0.00 0.01 -0.03 -0.04 -0.01 0.04 -0.02 0.02 0.00 0.05 -0.08 -0.11 0.09 0.02 0.11 -0.03 -0.10 -0.11 0.06 -0.08 0.01 0.08 0.04 0.07 0.04 0.03 -0.03 -0.03 0.02 0.06 -0.11 -0.02 0.02 -0.03 0.04 -0.06 -0.02 0.02 -0.05 -0.02 -0.01 -0.03 0.07 0.02 -0.00 0.05 -0.01 -0.01 -0.03 -0.01 -0.06 0.04 0.05 -0.06 -0.04 0.07 -0.11 0.02 -0.11 -0.07 -0.03 0.04 -0.12 0.00 -0.01 -0.11 0.05 -0.20 -0.00 0.16 -0.10 -0.21 0.04 0.04 -0.36 -0.20 -0.33 -0.18 0.12 -0.19 -0.03 0.08 -0.08 0.13 0.08 0.06 0.07 0.03 0.13 0.01 0.01 0.02 -0.14 0.00 0.03 0.10 -0.17 -0.03 0.03 -0.10 0.05 -0.15 -0.07 0.02 -0.10 0.03 -0.01 -0.07 0.10 0.06 0.03 0.06 0.01 0.01 0.03 -0.06 -0.04 -0.05 0.00 0.01 -0.04 -0.02 -0.02 -0.11 0.14 0.02 -0.04 0.01 -0.02 0.00 0.02 0.00 0.07 -0.02 -0.06 0.07 0.03 0.04 -0.03 0.04 0.02 -0.09 -0.09 0.08 -0.01 -0.00 0.01 -0.03 0.06 0.02 0.02 -0.01 -0.02 0.01 -0.00 0.06 -0.04 -0.01 -0.03 -0.05 -0.01 -0.07 0.01 -0.10 0.02 -0.04 -0.02 -0.02 0.04 -0.01 -0.07 0.02 -0.02 -0.05 0.11 0.01 -0.02 0.01 -0.02 0.02 0.01 -0.03 0.02 0.01 0.01 0.03 0.11 0.04 0.00 0.08 -0.02 0.01 -0.06 0.09 0.04 -0.27 -0.14 0.09 0.01 -0.24 0.17 -0.04 0.03 0.02 0.00 -0.01 0.04 0.15 -0.17 -0.06 0.14 0.24 0.04 -0.16 0.01 0.16 -0.01 0.04 -0.17 -0.15 -0.08 -0.09 0.06 -0.28 -0.04 -0.04 -0.11 0.20 -0.04 -0.02 -0.02 0.04 0.09 -0.03 0.01 -0.01 -0.16 -0.01 -0.04 -0.08 0.17 0.02 -0.02 0.04 -0.03 0.05 0.03 -0.03 0.04 -0.03 0.02 0.07 0.21 0.19 0.10 0.14 0.10 0.10 -0.00 -0.17 -0.08 0.03 -0.12 -0.01 -0.01 0.00 -0.03 -0.08 0.23 -0.07 0.03 -0.01 0.01 0.01 0.03 -0.01 -0.04 -0.02 0.07 -0.04 -0.00 -0.03 0.15 0.04 -0.02 0.09 -0.14 0.02 -0.01 0.00 0.04 0.10 0.06 -0.05 -0.01 0.01 -0.00 -0.04 0.01 0.03 -0.01 -0.01 -0.03 0.05 -0.12 0.03 0.04 0.08 -0.04 -0.02 -0.03 -0.02 -0.01 0.03 0.05 -0.02 -0.01 0.06 -0.06 -0.02 0.03 -0.00 -0.02 0.02 0.01 0.00 0.02 -0.02 -0.00 -0.01 -0.05 -0.02 -0.00 -0.04 0.00 -0.01 0.12 0.09 -0.05 -0.10 -0.20 -0.01 0.21 -0.32 0.03 -0.06 0.08 0.06 -0.00 -0.05 0.11 -0.01 -0.04 0.06 -0.08 0.16 -0.15 -0.18 0.06 0.19 0.06 -0.16 0.05 0.10 -0.10 0.04 -0.05 0.31 0.04 0.15 0.11 -0.28 -0.02 -0.05 -0.03 -0.01 -0.04 0.02 0.01 0.03 0.11 -0.01 -0.01 0.08 -0.09 -0.01 0.02 0.00 -0.02 0.05 0.01 0.02 0.03 0.00 0.00 -0.04 -0.12 -0.15 -0.08 -0.09 -0.11 -0.08 0.02 0.14 0.07 -0.03 0.04 -0.03 -0.00 0.01 0.05 -0.02 -0.02 -0.01 0.27 0.03 -0.11 0.04 -0.11 -0.05 -0.06 0.01 -0.02 -0.10 -0.06 -0.04 -0.00 -0.00 0.04 0.02 -0.04 0.17 0.07 -0.03 -0.10 -0.01 0.01 0.02 0.06 -0.03 -0.07 -0.04 0.07 0.22 -0.01 0.02 0.06 -0.03 0.06 -0.00 -0.03 -0.01 0.02 0.03 0.07 0.04 0.00 -0.01 -0.02 -0.08 -0.00 -0.02 -0.10 -0.02 -0.04 0.02 0.04 -0.04 -0.00 -0.00 -0.03 -0.08 -0.04 -0.03 0.02 0.00 0.00 0.02 -0.00 0.00 0.01 -0.00 -0.00 -0.09 -0.06 0.17 0.05 -0.10 0.21 0.24 -0.24 -0.16 0.07 0.15 -0.30 -0.06 0.08 0.24 -0.10 0.13 0.09 -0.09 0.11 0.33 -0.03 0.04 0.01 -0.04 0.08 0.00 -0.00 -0.07 -0.01 -0.07 -0.02 0.08 0.03 0.13 0.05 0.00 0.01 -0.01 0.02 -0.00 -0.03 -0.08 0.01 -0.04 -0.15 -0.02 -0.06 0.01 0.06 -0.09 -0.01 -0.04 -0.06 -0.05 -0.06 -0.03 0.05 0.05 0.03 0.04 0.04 0.03 0.01 -0.05 -0.03 0.08 -0.08 0.08 -0.02 -0.03 0.03 0.04 -0.01 0.03 -0.03 -0.01 0.00 -0.12 0.21 -0.09 0.05 -0.04 -0.03 0.07 0.04 0.03 -0.09 0.00 -0.06 0.00 0.06 0.11 -0.08 0.01 -0.18 -0.01 -0.05 -0.05 -0.03 0.06 -0.03 -0.04 0.06 0.16 -0.01 -0.00 0.04 0.07 -0.12 0.00 0.07 -0.01 -0.04 -0.00 0.00 0.03 -0.01 0.00 0.03 0.03 -0.03 -0.03 0.11 0.00 -0.00 -0.01 -0.02 -0.02 -0.01 -0.04 -0.01 0.02 0.02 0.02 -0.05 0.00 -0.01 -0.05 0.01 -0.00 -0.06 -0.04 -0.10 0.07 0.09 0.14 -0.06 0.16 0.11 0.05 -0.22 -0.25 -0.16 0.09 -0.39 -0.09 0.12 0.21 -0.10 0.01 0.10 -0.01 0.08 0.17 0.07 -0.08 -0.03 0.10 -0.19 -0.01 0.03 0.10 0.00 0.15 0.01 -0.15 -0.02 0.03 0.02 -0.00 -0.04 0.01 -0.05 -0.01 0.06 0.01 -0.05 -0.05 0.17 0.01 -0.00 -0.01 -0.01 -0.06 -0.02 -0.06 -0.03 -0.02 0.03 0.04 -0.10 -0.10 -0.07 -0.08 -0.10 -0.04 -0.03 0.11 0.06 0.01 0.00 0.04 0.03 0.00 -0.02 0.03 -0.04 0.03 0.15 -0.02 -0.07 -0.04 0.07 -0.08 0.00 -0.01 0.00 0.01 0.00 -0.00 -0.04 -0.01 -0.05 -0.01 0.01 0.02 -0.13 0.05 0.15 -0.04 -0.03 -0.02 0.01 0.01 -0.08 -0.02 0.01 0.04 0.03 -0.01 -0.03 -0.02 -0.00 0.00 -0.02 0.00 -0.01 0.01 -0.04 -0.01 -0.02 0.02 -0.01 0.01 -0.00 0.00 0.01 -0.00 0.00 -0.03 -0.02 0.02 -0.01 0.02 0.01 0.01 0.00 -0.00 0.00 -0.01 0.03 0.03 -0.01 -0.01 -0.02 -0.05 -0.04 -0.01 0.02 0.04 -0.02 0.02 0.06 -0.51 0.37 0.22 -0.05 -0.21 0.56 -0.03 0.02 0.06 -0.05 0.00 0.00 -0.03 0.01 0.04 -0.03 0.02 -0.01 -0.02 -0.03 -0.00 -0.03 0.00 -0.01 -0.01 0.00 -0.01 0.01 -0.10 -0.01 -0.06 0.07 0.02 -0.00 0.03 -0.07 0.01 -0.01 0.01 0.02 -0.00 0.00 -0.05 -0.03 0.04 -0.01 0.05 0.03 0.01 0.00 -0.00 0.01 0.00 0.04 0.01 0.05 -0.05 0.09 -0.04 -0.03 0.01 -0.01 0.01 -0.01 -0.00 0.00 0.03 -0.02 -0.02 -0.04 -0.00 0.02 -0.01 0.02 0.00 0.00 -0.00 0.01 0.00 0.00 0.00 0.03 -0.00 -0.00 0.03 -0.02 -0.01 0.01 -0.01 -0.04 0.02 0.00 -0.00 -0.01 0.01 0.01 -0.00 0.00 -0.00 -0.01 0.00 0.01 -0.06 -0.02 0.03 -0.09 0.02 -0.04 -0.00 0.01 0.00 -0.10 0.09 -0.03 0.00 -0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 0.01 -0.07 0.17 0.16 -0.03 -0.05 0.03 0.00 -0.02 0.02 -0.03 -0.02 0.05 -0.03 -0.02 0.09 -0.08 -0.06 -0.01 0.05 -0.14 -0.01 0.01 0.01 -0.02 0.01 -0.04 -0.01 0.01 0.02 -0.11 -0.01 0.09 -0.00 0.00 0.04 -0.15 0.06 -0.03 -0.04 0.04 -0.08 -0.01 0.02 0.00 -0.32 0.33 0.08 -0.02 0.13 -0.34 0.00 -0.00 0.01 0.01 -0.00 0.01 0.01 0.00 -0.01 0.00 -0.02 -0.01 0.00 0.01 -0.00 0.02 -0.01 0.19 0.04 0.21 -0.29 0.47 -0.18 -0.12 -0.02 0.03 0.03 0.01 -0.00 0.01 0.04 -0.05 0.02 -0.07 -0.04 -0.01 -0.03 0.05 -0.05 -0.00 0.00 0.02 0.02 0.02 -0.00 0.09 -0.06 -0.05 0.17 -0.11 -0.02 -0.04 0.01 -0.05 -0.02 -0.02 -0.01 -0.03 0.01 -0.04 -0.02 0.01 0.01 0.00 0.00 0.00 -0.16 0.05 0.01 -0.11 0.08 0.11 0.01 -0.00 0.01 0.06 -0.00 -0.02 0.03 0.00 0.05 0.01 0.00 0.04 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.03 0.02 0.00 0.07 0.02 -0.10 0.01 0.00 0.03 0.15 -0.14 -0.12 0.09 -0.14 -0.05 0.21 -0.17 -0.03 -0.02 -0.04 -0.07 -0.06 0.01 -0.09 -0.07 0.06 0.11 -0.15 0.03 -0.20 -0.08 0.06 0.16 -0.09 0.13 -0.18 -0.36 -0.05 -0.02 -0.15 0.12 0.12 -0.15 0.08 0.04 0.00 -0.00 0.01 0.19 -0.06 -0.05 0.15 0.01 0.10 0.05 0.00 0.09 0.01 -0.01 0.07 -0.01 -0.00 -0.01 -0.01 -0.00 -0.01 0.04 0.03 -0.01 0.17 0.14 -0.02 0.13 0.05 0.24 -0.20 -0.08 -0.03 -0.02 -0.03 0.04 -0.10 -0.06 -0.07 0.05 -0.09 0.00 0.17 0.09 0.10 0.07 0.33 0.09 0.02 -0.05 -0.04 -0.08 -0.04 -0.01 0.06 0.07 0.07 -0.02 0.01 -0.05 0.12 0.07 0.05 0.01 -0.01 0.03 0.08 0.14 0.07 0.02 -0.02 -0.09 -0.01 -0.00 -0.00 -0.08 -0.05 0.02 -0.05 0.04 0.06 -0.12 -0.04 -0.06 0.04 0.01 -0.01 -0.12 -0.07 -0.10 -0.01 -0.06 -0.09 0.02 -0.08 0.05 0.01 -0.08 0.04 -0.14 -0.06 -0.03 0.04 0.01 -0.05 0.01 -0.00 0.01 0.04 0.03 0.21 -0.05 0.00 -0.07 0.02 -0.04 -0.09 0.21 -0.02 0.02 0.04 0.09 -0.11 0.06 -0.07 -0.15 0.09 -0.00 -0.01 0.02 -0.05 -0.14 -0.03 -0.01 -0.10 -0.19 -0.12 -0.00 -0.11 0.12 0.08 -0.01 0.05 -0.05 -0.14 -0.07 -0.08 0.11 -0.02 -0.02 0.07 0.01 0.05 -0.20 -0.11 -0.20 -0.01 -0.03 -0.12 0.12 -0.08 0.12 0.06 -0.08 0.09 -0.18 -0.05 -0.00 0.08 0.06 -0.02 0.06 0.00 0.11 -0.10 -0.03 -0.01 -0.02 0.11 0.01 -0.02 -0.02 -0.01 -0.09 0.02 0.11 0.01 0.00 0.02 0.01 0.11 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.06 -0.10 -0.02 0.15 -0.11 -0.03 0.01 0.03 -0.01 -0.12 -0.06 0.00 0.01 0.04 0.00 -0.01 -0.01 -0.02 0.00 0.00 0.00 0.13 0.18 -0.05 0.08 -0.06 -0.08 -0.03 -0.01 -0.01 -0.04 -0.03 0.00 -0.01 -0.01 0.00 -0.00 -0.02 0.00 0.00 -0.02 0.01 0.00 -0.02 0.01 -0.02 0.00 -0.01 -0.06 -0.01 0.06 -0.03 0.01 -0.01 0.14 -0.26 -0.01 0.13 -0.13 -0.07 0.16 -0.12 -0.05 0.04 -0.01 -0.02 -0.01 0.03 -0.05 -0.06 0.05 0.05 -0.12 0.01 -0.20 -0.04 0.05 0.11 0.06 0.11 0.13 0.32 0.24 -0.03 0.25 -0.32 -0.16 -0.06 -0.10 0.24 -0.04 -0.02 -0.02 -0.13 -0.03 0.01 -0.10 -0.04 -0.03 -0.03 -0.04 0.02 -0.00 -0.02 0.01 0.02 -0.02 0.02 0.01 -0.02 0.02 -0.02 0.01 -0.02 -0.13 -0.07 0.02 -0.09 -0.00 -0.13 0.09 0.04 0.01 -0.04 -0.01 0.03 -0.07 -0.02 -0.04 0.01 -0.08 0.02 -0.13 -0.12 -0.17 0.16 0.11 -0.07 -0.04 0.08 -0.03 -0.02 0.02 -0.04 0.02 0.10 0.01 -0.09 0.05 0.03 0.18 0.03 0.04 -0.03 -0.00 0.04 0.04 0.00 -0.20 0.00 0.00 0.04 0.04 0.01 0.05 0.02 -0.02 -0.00 0.03 -0.02 -0.02 -0.09 -0.00 -0.05 -0.00 -0.00 0.00 0.02 -0.03 0.24 -0.08 -0.04 0.16 0.03 -0.03 0.03 0.01 -0.04 0.01 0.05 0.07 -0.06 -0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.07 0.13 -0.23 0.03 0.07 -0.01 -0.06 0.06 0.11 -0.05 0.01 0.20 0.08 0.01 0.04 -0.05 0.00 0.07 0.02 0.12 -0.00 -0.03 -0.03 0.02 -0.03 0.02 0.07 -0.03 -0.00 0.04 -0.05 -0.03 0.03 -0.02 0.01 -0.12 -0.00 -0.09 -0.01 -0.02 -0.00 -0.03 -0.01 0.01 0.08 -0.05 0.39 -0.13 -0.18 0.35 0.11 -0.03 0.08 0.04 -0.05 0.04 0.11 0.12 -0.19 -0.02 -0.03 -0.01 -0.03 -0.04 -0.04 0.02 0.03 0.02 -0.14 -0.02 -0.01 0.05 -0.00 0.03 -0.05 -0.17 -0.02 0.04 -0.02 -0.04 -0.08 0.04 -0.03 -0.01 -0.04 0.04 0.02 0.03 -0.01 0.16 0.22 0.08 0.04 0.01 -0.03 -0.14 0.01 -0.08 0.10 0.07 0.28 -0.07 0.01 -0.04 0.00 -0.02 -0.05 -0.04 -0.00 -0.05 0.03 0.00 -0.02 0.04 -0.03 -0.04 0.05 -0.01 0.04 0.00 -0.01 0.01 0.02 0.01 -0.03 0.02 0.02 0.00 -0.02 0.00 -0.01 -0.02 0.01 -0.01 0.02 -0.01 0.04 0.00 0.02 0.02 -0.01 -0.00 -0.00 0.12 0.38 -0.09 -0.30 -0.07 -0.02 0.26 -0.31 -0.04 -0.06 -0.01 -0.08 -0.18 0.00 -0.13 0.04 -0.08 -0.00 0.02 -0.01 -0.04 -0.05 -0.05 -0.09 0.03 -0.10 0.10 0.15 0.05 -0.00 0.11 -0.14 -0.08 0.01 -0.04 0.09 0.08 -0.02 0.07 -0.01 -0.06 -0.01 -0.05 -0.03 0.04 0.04 0.07 -0.09 0.05 0.05 -0.05 -0.07 0.00 -0.05 -0.05 0.02 -0.05 0.00 -0.03 0.08 -0.04 -0.06 -0.03 -0.05 -0.11 -0.07 0.03 0.08 0.04 0.00 0.00 0.00 0.11 -0.00 0.11 -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 -0.00 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 -0.11 0.01 -0.12 -0.00 -0.00 -0.00 0.00 0.01 -0.01 0.00 0.00 -0.00 0.18 -0.01 0.18 -0.16 0.02 -0.17 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.04 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.27 0.03 -0.29 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.02 0.00 0.01 -0.02 0.25 -0.02 0.25 -0.52 0.05 -0.52 0.00 -0.01 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.02 -0.07 0.02 -0.07 0.02 -0.02 0.02 -0.07 -0.03 -0.07 0.04 0.04 -0.05 -0.03 -0.15 0.25 -0.01 0.04 -0.07 -0.00 0.03 -0.04 -0.00 0.01 0.01 0.08 -0.03 0.04 -0.04 -0.01 -0.03 0.01 -0.08 -0.04 -0.00 0.00 0.02 0.10 -0.02 0.11 0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.06 0.02 -0.06 -0.00 -0.00 -0.00 0.04 0.21 -0.19 -0.05 0.07 -0.03 0.01 0.01 0.00 0.03 0.00 0.02 0.03 -0.09 0.16 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.02 -0.08 -0.00 0.03 0.03 -0.04 0.04 0.01 -0.11 0.01 0.08 -0.03 0.03 -0.00 -0.00 0.04 -0.01 0.01 0.01 -0.02 -0.00 0.02 0.01 0.01 -0.01 0.01 -0.02 -0.01 0.02 -0.01 -0.00 -0.00 -0.01 0.01 -0.12 0.04 -0.12 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.06 0.31 -0.30 -0.06 0.27 -0.32 0.08 0.01 0.07 0.12 -0.01 0.11 0.07 -0.27 0.38 -0.01 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.04 -0.03 0.03 -0.01 0.00 0.00 -0.02 -0.01 -0.02 0.04 0.02 0.00 -0.00 -0.01 0.03 -0.01 0.00 -0.01 0.01 0.00 0.02 -0.02 0.01 0.00 0.02 0.09 -0.03 0.01 -0.01 0.00 0.02 -0.02 -0.01 0.00 0.00 0.00 -0.06 0.03 -0.08 0.06 0.00 -0.01 0.05 0.05 0.05 0.02 -0.02 0.05 -0.01 -0.01 0.00 0.00 0.03 -0.01 -0.02 0.01 0.00 -0.02 -0.04 -0.00 -0.02 -0.03 -0.01 0.00 -0.01 0.01 -0.10 -0.14 -0.05 -0.03 0.03 0.00 -0.00 0.01 0.04 -0.01 0.01 0.01 -0.02 0.01 -0.00 0.03 0.14 -0.01 0.04 0.11 -0.00 0.01 -0.01 -0.01 0.02 0.00 0.03 0.01 -0.00 -0.01 0.11 -0.02 -0.06 0.03 -0.02 -0.02 0.09 0.06 0.05 0.06 0.05 0.03 0.06 -0.07 0.10 -0.04 0.17 0.07 0.16 0.05 -0.18 0.01 0.03 -0.01 -0.03 0.03 -0.03 -0.05 -0.03 -0.06 -0.07 -0.02 -0.05 0.02 -0.02 0.03 -0.00 0.23 0.16 0.15 0.60 0.28 -0.13 -0.33 -0.20 0.02 0.01 0.01 0.08 -0.07 0.07 0.01 0.01 0.00 -0.04 -0.00 -0.02 0.08 0.01 0.00 -0.00 -0.01 0.05 -0.02 0.01 -0.04 -0.01 -0.02 -0.00 -0.01 -0.00 0.01 0.05 0.18 -0.05 -0.03 -0.01 -0.04 0.05 -0.04 -0.00 0.00 0.00 0.01 -0.12 0.07 -0.16 -0.05 -0.00 0.01 -0.04 -0.04 -0.03 0.03 -0.04 0.11 0.01 0.01 -0.00 -0.00 0.06 -0.03 -0.03 0.00 0.01 -0.04 -0.08 -0.00 -0.03 -0.07 -0.01 -0.00 -0.03 0.04 0.08 0.11 0.04 0.02 -0.03 -0.00 -0.01 -0.06 0.07 0.02 0.01 0.01 -0.04 0.03 0.00 0.06 0.31 -0.01 0.12 0.21 0.03 0.00 0.01 -0.01 0.01 0.01 0.02 0.01 0.01 0.02 -0.09 0.03 0.03 -0.04 0.00 0.01 -0.08 -0.03 -0.03 -0.05 -0.04 -0.04 0.12 -0.14 0.20 0.03 -0.12 -0.05 -0.12 -0.04 0.13 -0.00 0.07 -0.04 -0.06 0.02 -0.02 -0.09 -0.06 -0.12 -0.15 -0.04 -0.11 0.02 -0.09 0.10 0.00 -0.17 -0.12 -0.11 -0.45 -0.21 0.10 0.25 0.15 -0.01 0.00 0.01 -0.00 -0.01 -0.00 0.01 -0.01 0.00 -0.03 -0.01 -0.03 0.02 0.02 -0.02 -0.01 -0.07 0.10 -0.02 -0.17 0.24 0.01 0.02 -0.01 0.00 0.00 -0.00 0.02 0.03 -0.01 -0.01 0.00 -0.00 0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 0.06 -0.01 0.14 -0.18 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.02 0.11 -0.15 0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.04 -0.00 0.01 0.02 -0.03 0.01 0.00 0.03 -0.01 0.03 0.03 0.01 0.00 -0.00 0.02 -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 -0.01 -0.01 -0.00 -0.01 -0.02 0.00 0.01 -0.01 -0.00 -0.02 -0.01 -0.00 0.02 0.02 0.04 0.00 0.41 -0.56 0.01 -0.01 0.00 0.00 -0.01 0.01 0.05 0.30 -0.46 -0.01 -0.02 -0.01 -0.01 -0.05 -0.02 0.01 0.03 0.02 0.05 0.00 -0.08 0.01 -0.01 -0.04 -0.07 0.06 -0.01 0.05 -0.04 -0.12 -0.05 0.08 0.07 -0.04 -0.02 0.00 0.03 0.01 0.01 0.00 -0.15 0.18 -0.05 -0.05 0.01 -0.06 0.08 -0.00 0.13 -0.03 0.09 -0.08 -0.06 -0.08 -0.00 -0.01 -0.03 0.06 0.02 0.05 -0.02 0.03 -0.00 -0.03 0.01 0.01 -0.02 -0.02 -0.01 -0.00 0.01 0.00 0.03 0.02 -0.01 -0.00 0.03 0.02 -0.01 -0.03 0.01 -0.01 -0.01 -0.00 0.04 0.01 0.01 0.01 0.01 -0.00 0.01 -0.00 0.00 -0.08 0.00 0.21 0.49 0.07 -0.01 -0.29 0.33 -0.19 0.12 -0.06 -0.04 -0.16 0.13 -0.21 -0.01 0.05 -0.28 0.09 0.05 0.06 0.14 0.07 0.06 -0.04 0.02 0.03 -0.04 0.10 0.01 -0.06 0.04 0.02 -0.04 0.01 -0.02 -0.10 -0.07 -0.09 0.01 -0.01 -0.00 0.00 0.00 0.02 0.06 0.02 0.05 0.03 0.05 -0.00 0.02 -0.03 0.03 0.05 0.02 0.07 0.04 -0.00 0.03 0.01 -0.01 -0.01 -0.00 -0.05 -0.01 0.01 0.02 0.01 -0.01 -0.00 0.01 0.02 -0.02 -0.01 0.01 -0.01 -0.01 -0.00 0.04 0.01 -0.01 -0.03 -0.01 0.00 0.03 -0.03 0.00 0.01 -0.02 -0.01 0.02 -0.03 0.02 -0.00 -0.00 -0.03 0.11 -0.04 -0.00 0.01 0.00 0.02 -0.10 0.06 0.00 0.00 0.00 0.08 0.03 0.06 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.03 -0.01 0.00 -0.00 0.00 -0.00 -0.01 -0.03 0.06 -0.01 0.02 -0.01 -0.02 -0.04 -0.00 -0.08 -0.02 -0.08 0.00 -0.02 0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.04 -0.08 -0.04 -0.01 0.01 0.04 -0.04 0.02 -0.02 0.10 -0.04 -0.01 0.12 -0.01 -0.01 0.00 0.04 -0.03 -0.01 -0.03 -0.02 -0.00 0.01 0.00 -0.01 0.00 0.01 -0.01 -0.00 0.01 -0.02 -0.01 0.01 0.00 0.01 -0.07 -0.07 -0.03 -0.00 -0.01 -0.00 0.00 0.00 0.01 0.03 0.27 -0.42 -0.02 -0.09 0.14 0.32 -0.06 0.30 0.41 -0.02 0.44 0.01 0.11 -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 0.02 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.02 0.00 0.01 -0.01 0.00 0.01 -0.00 -0.01 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.02 0.01 0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.04 -0.08 0.00 -0.02 0.02 -0.01 -0.01 -0.01 -0.05 -0.01 -0.05 -0.00 0.03 -0.04 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.02 -0.01 -0.06 -0.01 -0.01 0.03 -0.04 0.02 0.00 0.03 -0.01 -0.00 0.04 -0.01 0.00 -0.01 0.03 -0.00 -0.01 0.00 -0.01 -0.01 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 0.01 0.00 -0.00 -0.02 0.01 -0.02 0.02 0.00 0.01 0.01 -0.01 -0.00 -0.02 -0.05 -0.43 0.67 0.01 0.07 -0.11 0.20 -0.03 0.19 0.26 -0.02 0.27 -0.02 -0.17 0.26 -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 0.02 0.08 -0.01 0.01 0.01 -0.01 -0.06 0.00 0.02 0.02 -0.00 0.00 -0.04 0.05 -0.00 0.00 -0.00 0.01 -0.03 0.03 -0.03 -0.01 0.01 0.05 -0.12 0.03 0.01 -0.02 0.00 -0.02 0.18 -0.09 -0.00 -0.00 0.00 -0.10 -0.03 -0.08 -0.00 0.01 -0.00 -0.01 0.00 0.00 0.03 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.02 0.01 0.01 -0.01 -0.01 -0.02 0.04 -0.04 -0.08 0.03 -0.08 -0.01 -0.01 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 0.08 0.11 0.02 0.01 -0.09 0.09 -0.04 -0.01 -0.07 0.05 0.05 -0.15 0.05 -0.00 0.01 -0.08 0.03 0.02 0.04 0.04 0.02 0.03 -0.00 0.01 -0.00 -0.01 0.01 -0.00 -0.01 -0.01 -0.00 -0.01 0.00 0.02 0.28 0.07 0.25 0.00 -0.01 -0.01 0.00 0.00 0.01 0.00 0.13 -0.26 0.02 0.03 -0.06 0.35 0.00 0.36 0.41 -0.05 0.37 -0.01 0.06 -0.08 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.01 -0.06 0.03 -0.01 -0.00 -0.01 0.01 0.01 -0.03 -0.01 -0.01 0.03 0.01 -0.03 -0.02 0.01 -0.01 0.01 -0.01 -0.00 0.00 -0.01 -0.01 -0.03 -0.02 -0.01 0.00 0.01 0.03 -0.01 0.05 0.00 0.02 0.01 0.06 -0.01 -0.00 0.00 0.01 0.02 0.01 0.02 -0.01 0.01 -0.02 -0.04 0.09 -0.03 -0.01 0.00 0.00 -0.02 0.06 -0.01 -0.00 0.00 -0.01 0.01 -0.00 -0.01 0.00 -0.01 0.01 0.00 -0.01 0.01 -0.01 0.00 -0.01 -0.01 -0.03 -0.01 0.01 -0.01 0.01 -0.05 0.05 -0.03 0.07 0.03 0.03 -0.07 0.07 -0.02 -0.04 0.05 -0.01 0.04 0.02 0.04 -0.01 0.02 -0.03 0.01 0.02 0.01 0.02 0.02 0.05 -0.04 -0.06 0.09 0.16 -0.01 -0.02 0.04 -0.43 -0.20 0.02 0.08 0.52 -0.05 -0.01 -0.04 -0.03 -0.35 -0.17 0.15 0.07 0.42 -0.02 -0.03 0.03 0.00 -0.01 -0.00 -0.02 -0.00 -0.04 -0.02 -0.00 -0.02 -0.01 -0.01 0.02 0.06 -0.00 0.02 0.02 0.09 0.01 0.07 -0.05 -0.01 -0.01 0.03 -0.05 -0.01 -0.02 -0.05 -0.05 -0.02 -0.00 -0.03 -0.06 0.10 0.03 -0.16 -0.07 0.03 -0.03 0.05 -0.01 0.00 -0.00 -0.04 -0.03 -0.08 -0.00 -0.02 -0.00 0.02 0.14 -0.05 0.08 0.01 0.12 -0.01 0.32 -0.08 0.01 -0.00 0.03 0.11 0.05 0.08 0.01 0.01 0.01 0.02 -0.05 0.03 -0.04 -0.00 0.02 0.01 -0.04 0.01 -0.02 -0.03 -0.00 0.03 -0.04 -0.02 0.01 -0.05 0.03 0.01 -0.05 0.02 -0.03 -0.00 -0.00 0.00 0.02 0.00 -0.01 0.00 -0.01 -0.10 0.10 -0.13 0.08 0.03 0.06 -0.08 0.08 -0.00 -0.11 0.20 -0.04 0.12 0.14 0.12 -0.03 0.05 0.01 -0.03 0.02 -0.04 0.01 0.04 0.12 0.02 0.03 -0.03 -0.09 0.06 0.01 -0.02 0.27 0.13 -0.04 -0.05 -0.32 -0.24 -0.05 -0.18 0.02 0.23 0.11 -0.09 -0.04 -0.27 -0.05 0.01 -0.15 0.03 0.03 -0.12 -0.09 -0.03 -0.14 -0.09 0.01 -0.06 -0.05 0.02 -0.03 -0.04 0.00 -0.01 -0.01 -0.06 0.00 -0.05 0.03 0.00 -0.04 0.00 -0.01 -0.03 0.01 0.04 -0.02 -0.03 -0.03 -0.04 0.05 0.03 0.03 0.08 -0.09 0.04 0.03 -0.01 -0.03 -0.01 -0.01 -0.06 -0.01 -0.09 0.01 -0.09 0.00 0.04 -0.07 -0.04 0.09 0.05 0.13 0.12 -0.11 0.07 0.01 -0.03 0.02 -0.02 -0.02 -0.02 -0.00 0.00 -0.00 0.01 -0.02 0.00 0.01 0.01 -0.01 0.01 -0.01 0.01 -0.02 0.04 0.01 -0.02 -0.01 -0.00 0.00 0.03 -0.01 0.00 0.00 0.00 -0.02 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.16 0.16 -0.06 0.38 0.09 0.19 -0.21 0.26 -0.16 -0.25 0.10 0.00 0.12 -0.19 0.23 -0.08 0.13 -0.17 -0.04 0.12 -0.17 0.09 0.15 0.34 -0.01 -0.02 0.02 0.01 0.02 0.00 0.03 0.06 0.03 -0.01 -0.02 -0.08 0.08 0.07 0.07 0.01 0.08 0.04 -0.02 -0.01 -0.08 -0.05 -0.04 0.10 -0.07 -0.02 0.00 0.03 0.02 0.02 0.01 -0.06 -0.03 0.02 -0.05 0.02 -0.02 0.00 -0.00 0.00 -0.01 0.01 -0.02 0.01 -0.00 0.10 -0.01 -0.09 -0.03 0.01 0.03 -0.10 0.01 0.04 -0.03 0.01 0.01 0.03 0.06 -0.04 0.03 0.01 0.01 -0.02 -0.01 -0.01 0.00 -0.09 -0.00 -0.02 0.09 -0.01 -0.01 -0.04 -0.07 0.10 -0.09 0.08 0.07 -0.03 0.02 0.00 0.04 0.02 -0.00 -0.02 -0.01 -0.00 0.03 -0.02 -0.05 0.01 0.02 0.03 0.00 0.02 -0.01 0.02 0.00 -0.02 0.02 0.01 -0.01 -0.01 -0.00 0.02 0.02 0.01 -0.02 0.00 -0.01 -0.01 -0.01 0.01 0.01 0.00 -0.01 0.01 -0.00 0.00 0.01 -0.09 -0.02 -0.33 -0.10 -0.26 0.12 -0.17 0.28 -0.20 0.10 -0.03 0.03 -0.16 0.14 0.08 -0.13 0.33 0.00 -0.16 0.19 -0.13 -0.17 -0.36 -0.02 0.02 0.02 -0.03 0.12 0.01 -0.09 0.02 0.03 -0.04 0.02 0.01 -0.14 0.06 -0.15 0.01 -0.04 -0.02 0.01 0.02 0.07 -0.04 0.01 -0.02 -0.04 -0.00 -0.02 -0.08 0.02 -0.09 0.10 -0.06 0.07 0.02 0.01 -0.05 0.03 -0.00 -0.01 0.01 -0.02 0.00 0.01 0.00 0.00 0.01 0.00 -0.01 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.04 0.04 -0.01 -0.02 0.03 -0.01 -0.01 -0.01 0.00 0.00 -0.00 0.01 0.00 0.01 0.01 -0.00 0.02 -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.02 0.00 -0.01 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.01 0.10 -0.14 -0.01 -0.00 -0.01 0.01 -0.00 0.01 0.01 0.03 -0.03 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.02 -0.02 -0.01 -0.01 0.01 -0.01 0.03 0.01 -0.00 0.00 0.01 0.01 0.00 0.00 -0.00 0.03 -0.01 -0.01 -0.00 -0.01 -0.01 -0.02 0.00 0.00 -0.00 -0.01 0.01 0.00 -0.02 0.02 0.01 0.01 -0.00 -0.03 0.09 -0.01 0.10 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.01 -0.02 0.04 -0.00 -0.51 0.73 0.07 -0.01 0.07 -0.06 0.01 -0.05 0.00 -0.20 0.30 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.00 -0.02 0.02 -0.00 -0.01 -0.02 0.00 0.00 0.00 0.01 0.00 -0.01 -0.00 -0.01 -0.00 0.01 -0.01 0.01 0.00 -0.01 -0.02 -0.02 -0.02 0.00 0.02 -0.00 0.00 0.03 0.01 0.03 -0.01 0.03 -0.01 -0.01 0.01 0.01 0.01 0.00 0.03 0.01 0.03 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.08 0.01 -0.06 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.02 0.03 -0.06 -0.01 -0.05 0.06 -0.01 0.05 -0.00 -0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.00 -0.05 -0.07 -0.02 -0.05 0.03 -0.03 0.08 0.01 -0.03 -0.01 -0.00 0.05 -0.02 0.01 -0.02 0.10 -0.02 -0.04 0.00 -0.04 -0.03 -0.06 -0.02 -0.00 0.02 0.00 0.02 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.01 0.45 -0.05 0.48 0.00 -0.01 -0.00 0.01 0.01 0.02 0.00 0.00 -0.00 0.01 0.10 -0.14 0.36 -0.05 0.37 -0.31 0.04 -0.30 -0.00 0.05 -0.07 0.01 0.00 -0.00 0.01 -0.00 0.01 -0.00 -0.00 0.00 0.01 0.04 0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.02 0.01 0.01 -0.01 -0.00 -0.00 0.01 0.00 0.00 -0.04 -0.02 -0.02 0.02 -0.00 -0.00 0.04 0.00 0.03 -0.00 0.02 0.02 -0.02 0.00 -0.01 0.01 0.00 -0.01 -0.01 0.00 -0.01 -0.11 -0.06 -0.06 -0.01 -0.06 -0.08 -0.01 0.00 -0.00 0.03 0.06 0.15 0.01 -0.00 -0.01 0.00 0.01 0.00 0.02 -0.00 0.02 -0.01 -0.00 -0.01 0.00 -0.01 0.01 0.03 -0.02 -0.06 0.04 -0.00 -0.03 -0.04 -0.01 -0.03 -0.03 -0.02 -0.02 0.02 -0.01 0.08 0.07 -0.03 0.02 0.02 0.02 -0.02 -0.01 0.00 0.10 -0.05 -0.03 -0.08 -0.05 -0.01 -0.02 -0.42 -0.08 0.42 0.35 0.15 0.01 0.23 -0.00 -0.07 0.10 -0.03 -0.07 0.05 -0.01 0.05 0.04 0.18 0.19 0.06 0.08 0.01 0.02 -0.01 0.03 0.01 -0.00 0.02 -0.10 0.01 -0.11 0.07 0.00 0.08 -0.01 0.05 -0.06 -0.07 0.07 -0.02 0.20 -0.01 0.26 -0.23 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 0.01 -0.00 -0.00 0.01 0.01 -0.01 -0.01 -0.00 0.01 0.01 0.00 0.01 -0.00 0.00 0.00 -0.02 -0.00 -0.02 -0.01 -0.01 -0.01 0.01 -0.01 0.01 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.01 0.00 -0.01 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.01 0.02 -0.01 -0.04 0.07 -0.01 -0.03 0.04 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.08 -0.12 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.01 0.00 0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.03 0.01 -0.01 -0.01 -0.01 0.01 0.00 -0.01 -0.02 0.01 0.00 0.02 0.01 -0.00 -0.01 -0.04 -0.01 0.05 0.04 0.02 -0.00 0.03 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.02 0.02 0.01 0.01 -0.01 -0.00 0.20 -0.35 -0.01 0.16 -0.23 0.02 -0.00 0.03 -0.02 -0.00 -0.02 -0.01 -0.47 0.70 -0.01 0.01 -0.00 0.02 -0.01 0.03 -0.03 0.00 -0.00 -0.01 0.02 -0.03 0.03 -0.00 -0.02 -0.02 -0.01 -0.01 0.02 0.00 -0.02 -0.06 0.02 0.03 -0.04 -0.00 -0.02 0.03 0.01 0.01 -0.11 -0.02 -0.09 0.05 -0.00 -0.01 0.12 0.01 0.11 0.05 0.02 0.07 -0.06 -0.02 -0.00 0.04 0.00 -0.02 -0.04 0.02 -0.02 0.03 -0.02 0.03 0.01 0.01 0.03 -0.04 0.01 -0.01 -0.01 -0.00 -0.06 0.01 -0.03 -0.00 0.01 0.01 0.03 0.05 -0.03 0.05 -0.03 0.00 -0.04 0.01 0.01 -0.02 -0.01 -0.00 0.02 -0.01 -0.00 0.01 -0.15 0.07 -0.14 -0.06 -0.03 -0.02 0.03 -0.00 0.20 0.24 -0.11 0.08 0.06 0.10 -0.08 -0.03 0.03 0.27 -0.15 -0.07 -0.23 -0.12 -0.02 -0.00 0.12 0.00 -0.13 -0.15 -0.05 0.01 -0.12 -0.01 0.02 0.06 0.02 0.01 0.18 -0.02 0.22 0.00 -0.13 -0.11 -0.02 -0.02 0.08 0.06 0.06 -0.06 0.04 0.08 -0.07 -0.29 0.01 -0.32 0.18 0.04 0.20 -0.03 -0.06 0.14 0.06 -0.03 0.01 -0.07 0.05 -0.10 0.12 -0.03 0.00 0.01 -0.01 0.00 0.00 -0.01 -0.01 0.00 0.00 0.01 -0.01 0.00 0.01 0.03 -0.02 -0.02 0.02 0.00 0.01 -0.02 -0.00 -0.00 0.06 0.02 0.03 -0.03 0.00 -0.00 -0.06 0.01 -0.05 -0.02 -0.02 -0.03 0.03 0.00 0.01 -0.02 -0.00 0.02 0.04 -0.01 0.03 0.00 0.02 -0.01 -0.01 0.01 0.00 -0.07 0.01 -0.09 -0.00 -0.01 0.00 -0.01 0.01 0.01 -0.00 -0.01 -0.01 0.07 0.01 0.08 -0.04 -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.08 -0.02 0.04 0.02 0.02 0.02 -0.01 -0.00 -0.12 -0.11 0.01 -0.05 -0.04 -0.02 0.02 0.01 -0.01 -0.14 0.08 0.04 0.13 0.07 0.02 0.01 0.01 0.01 -0.00 0.01 0.01 -0.01 0.01 0.01 0.00 -0.04 -0.00 0.00 0.49 -0.04 0.48 -0.01 0.02 0.01 0.00 -0.00 -0.03 -0.03 -0.02 0.01 -0.01 -0.03 0.01 -0.39 0.06 -0.40 0.16 -0.01 0.19 0.02 -0.00 -0.02 -0.01 0.00 -0.00 0.00 -0.02 0.00 -0.01 0.01 -0.00 0.08 0.16 -0.09 0.00 -0.04 -0.01 -0.05 -0.03 0.07 -0.01 -0.00 0.00 0.02 -0.02 -0.01 0.01 -0.00 0.00 -0.02 0.00 -0.00 0.00 0.07 0.04 0.03 -0.02 0.01 -0.02 0.00 -0.03 -0.08 -0.01 0.01 0.02 0.01 -0.00 0.00 -0.03 -0.02 0.02 -0.01 -0.01 -0.01 -0.16 0.04 0.04 -0.06 -0.00 0.03 0.02 -0.03 -0.03 0.10 -0.03 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.02 0.06 0.01 -0.04 -0.02 0.04 0.00 0.01 0.00 -0.01 -0.04 -0.01 -0.00 -0.03 0.02 0.04 -0.00 0.04 0.02 0.04 0.15 0.04 -0.01 -0.10 -0.05 0.03 -0.02 -0.01 -0.02 0.02 -0.04 0.05 -0.13 -0.02 0.07 -0.13 0.04 0.07 0.15 -0.08 -0.02 0.00 -0.18 0.01 0.08 -0.23 0.01 0.03 0.45 0.03 -0.11 0.00 -0.05 -0.05 0.09 -0.31 -0.19 -0.02 0.06 0.39 -0.02 -0.02 -0.00 -0.00 0.01 -0.03 0.05 0.07 0.02 -0.06 -0.04 0.01 0.02 -0.00 -0.01 0.16 -0.04 0.00 -0.01 0.24 -0.03 0.19 -0.06 0.01 -0.03 -0.05 0.03 0.08 -0.22 -0.09 0.01 0.01 -0.03 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.03 -0.04 -0.00 0.01 -0.01 0.02 0.00 0.04 0.04 0.01 0.01 0.01 -0.00 -0.00 0.01 0.01 0.01 0.05 -0.01 -0.08 0.01 0.05 -0.01 -0.01 0.02 0.00 0.14 0.11 -0.10 0.01 -0.04 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.09 0.33 0.10 -0.22 -0.14 0.21 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 0.01 -0.00 -0.05 0.01 -0.03 -0.02 -0.02 -0.06 -0.01 0.00 0.06 0.13 -0.11 0.01 -0.02 0.06 -0.10 0.01 -0.01 0.11 -0.02 -0.04 0.01 -0.04 -0.03 -0.05 0.04 0.01 -0.01 0.05 -0.01 -0.03 0.07 -0.00 -0.01 -0.15 -0.01 0.04 0.04 -0.30 -0.21 -0.03 0.10 0.06 0.01 -0.02 -0.13 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.20 0.42 -0.06 -0.27 -0.08 0.21 -0.00 -0.01 0.00 -0.05 0.01 -0.00 -0.01 -0.08 -0.01 -0.05 0.01 -0.00 0.01 0.01 -0.01 -0.01 0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.00 -0.00 0.01 -0.00 -0.01 -0.08 0.10 0.09 0.42 -0.12 -0.06 0.02 0.01 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.01 0.00 0.01 -0.01 -0.01 -0.00 0.01 0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.24 0.06 0.02 0.09 0.15 0.09 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.18 -0.22 -0.17 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.03 -0.01 0.02 0.00 0.01 0.02 0.00 -0.00 -0.06 -0.03 0.02 -0.01 0.01 -0.02 0.02 0.00 0.00 -0.06 0.03 0.02 0.04 0.03 0.01 0.02 -0.01 0.00 0.00 -0.01 0.01 0.00 -0.01 0.00 0.00 0.02 0.00 -0.01 0.01 -0.00 0.01 0.00 -0.01 -0.01 -0.01 0.00 0.03 0.02 0.30 0.20 -0.33 0.10 0.11 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.53 -0.08 0.00 0.01 -0.01 -0.00 0.01 0.02 0.01 0.01 -0.01 -0.00 -0.12 0.05 0.06 -0.07 0.01 0.06 0.08 0.03 -0.08 -0.00 -0.02 -0.02 0.03 0.01 0.02 0.01 -0.00 0.01 0.00 -0.01 -0.01 -0.08 -0.12 0.15 0.06 -0.01 0.03 -0.02 0.01 -0.12 0.00 0.13 -0.01 0.02 0.03 -0.03 0.03 0.03 -0.07 0.06 -0.02 0.00 -0.02 -0.06 0.04 0.08 -0.02 -0.03 0.01 -0.01 -0.05 0.03 -0.00 -0.03 -0.01 0.02 0.01 -0.00 0.00 -0.00 0.01 0.03 0.01 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.02 -0.01 0.02 -0.03 -0.00 0.01 -0.10 -0.10 0.22 0.08 -0.14 -0.25 0.02 -0.00 0.31 -0.19 0.25 -0.06 -0.00 -0.18 0.13 0.02 -0.05 0.33 -0.14 -0.17 -0.17 -0.17 -0.12 -0.27 -0.01 -0.01 -0.02 -0.05 -0.11 0.02 0.06 -0.03 -0.03 0.14 -0.01 -0.02 0.12 -0.04 0.06 0.04 -0.04 -0.04 0.02 -0.01 -0.00 -0.03 0.00 -0.02 -0.02 -0.01 0.01 -0.05 0.02 0.00 0.03 -0.17 -0.06 0.01 -0.01 -0.01 0.01 -0.02 0.02 -0.07 0.12 -0.07 0.10 -0.01 0.01 -0.04 0.02 0.02 0.12 -0.02 -0.12 0.02 0.01 -0.02 -0.03 -0.01 -0.00 0.04 0.02 -0.01 0.07 0.01 0.03 -0.02 -0.02 -0.02 -0.01 -0.05 -0.00 -0.00 -0.01 -0.01 -0.12 -0.05 0.07 0.01 0.04 0.02 0.11 0.02 -0.02 0.01 0.02 0.01 -0.08 0.02 0.04 -0.02 -0.01 0.01 0.03 -0.02 -0.01 -0.05 0.04 0.07 0.02 0.01 -0.01 -0.04 0.07 0.04 0.02 -0.04 -0.03 -0.01 -0.04 -0.00 0.01 0.03 -0.01 -0.03 -0.00 -0.00 -0.00 0.02 0.02 -0.05 -0.09 -0.04 -0.03 -0.07 0.08 0.02 -0.05 -0.11 -0.02 0.01 0.06 0.01 -0.36 -0.02 -0.12 0.14 -0.15 0.03 -0.03 0.09 0.00 -0.04 0.06 -0.03 -0.04 -0.08 -0.03 0.01 0.00 -0.04 -0.01 0.01 0.01 0.01 -0.00 0.07 -0.01 -0.04 -0.09 0.15 0.05 0.04 -0.02 -0.02 -0.01 -0.00 0.01 -0.12 0.01 -0.00 -0.04 -0.05 -0.02 0.08 -0.02 -0.06 -0.07 0.33 0.10 0.06 -0.06 -0.04 0.04 0.01 0.02 0.08 0.41 0.15 0.20 0.37 0.22 0.01 -0.02 -0.00 -0.05 0.01 0.05 -0.00 -0.00 0.01 0.01 0.01 0.00 -0.02 -0.01 0.00 -0.03 -0.01 -0.01 0.01 0.01 0.01 0.01 0.02 -0.01 -0.00 0.00 0.00 0.05 0.02 -0.02 0.00 -0.02 -0.01 -0.05 -0.01 0.01 -0.00 -0.00 0.00 0.03 -0.01 -0.02 0.01 0.02 -0.00 -0.01 0.01 0.01 0.02 -0.01 -0.03 -0.01 -0.01 0.00 0.02 -0.03 -0.02 -0.01 0.02 0.01 0.00 0.02 0.00 -0.00 -0.01 0.00 0.01 0.00 0.00 0.02 0.04 0.02 -0.04 -0.13 -0.08 0.01 0.03 -0.05 -0.01 0.02 0.03 0.01 -0.00 -0.03 0.00 0.14 0.01 0.05 -0.05 0.06 -0.00 0.01 -0.04 0.01 0.02 0.01 0.02 0.01 0.02 0.04 0.01 -0.03 -0.01 -0.00 -0.01 -0.01 0.01 0.01 -0.06 -0.00 0.01 0.04 -0.06 -0.02 -0.04 0.01 0.01 -0.04 -0.01 -0.02 0.05 -0.00 0.00 0.02 0.02 0.01 -0.03 0.01 0.02 0.03 -0.13 -0.04 -0.03 0.02 0.02 0.01 0.05 0.02 0.22 0.46 0.32 0.18 0.60 0.33 -0.01 -0.01 0.01 -0.01 0.00 0.01 -0.00 -0.00 -0.00 0.01 0.01 0.01 -0.02 0.01 -0.01 -0.02 -0.00 -0.01 0.01 0.01 0.01 0.04 -0.03 -0.05 -0.03 0.00 -0.05 0.03 0.01 0.02 0.02 -0.01 0.01 -0.03 -0.01 0.01 -0.02 0.02 0.07 0.00 -0.00 -0.01 -0.10 0.02 -0.01 0.03 -0.04 -0.04 0.01 -0.01 -0.01 0.17 0.01 -0.04 0.01 -0.02 -0.01 -0.01 0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.05 0.00 0.05 -0.11 0.01 0.05 0.07 -0.05 -0.10 -0.01 -0.01 -0.09 -0.00 -0.03 -0.14 0.04 0.02 0.02 0.02 0.01 0.00 0.05 -0.04 -0.08 0.12 0.03 0.28 0.08 -0.01 -0.02 -0.22 0.02 0.16 0.02 0.10 0.02 0.08 0.03 -0.02 0.04 -0.03 -0.10 0.00 -0.03 -0.02 0.35 0.03 -0.04 0.21 0.02 -0.04 0.04 0.00 -0.01 0.01 0.02 0.00 -0.01 -0.00 0.02 0.01 -0.04 -0.01 -0.02 0.02 0.02 0.12 -0.05 0.04 -0.32 0.32 -0.34 0.35 -0.11 0.00 -0.00 0.01 0.01 0.09 -0.01 -0.09 0.01 0.00 0.00 0.02 0.01 0.01 -0.03 0.01 -0.03 -0.06 -0.01 -0.02 0.02 0.02 0.02 0.02 0.00 0.07 0.01 0.00 0.02 0.11 -0.09 -0.11 -0.01 -0.01 -0.02 -0.07 -0.01 0.02 -0.02 -0.00 -0.02 0.00 0.06 0.01 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.14 0.09 0.14 0.01 -0.00 0.00 0.04 -0.07 -0.05 -0.03 0.04 0.03 0.00 -0.01 -0.00 -0.03 -0.06 0.02 0.03 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.05 -0.00 -0.00 0.03 -0.01 -0.01 0.02 -0.01 -0.01 -0.27 0.26 -0.02 0.16 -0.38 0.29 0.00 -0.02 -0.07 0.03 0.00 0.04 0.02 -0.01 -0.05 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.01 -0.14 0.15 0.15 -0.00 0.00 0.00 0.01 0.00 -0.01 0.09 -0.03 -0.01 -0.00 0.05 0.03 0.39 0.12 -0.36 -0.12 0.22 0.11 -0.07 0.05 0.04 -0.01 0.01 0.01 -0.01 -0.00 -0.01 0.00 0.00 0.00 -0.08 0.07 0.02 -0.01 0.00 0.01 0.02 -0.00 -0.03 0.01 0.01 0.02 -0.02 0.02 -0.01 -0.02 -0.00 -0.01 0.00 0.01 0.01 0.05 -0.10 -0.06 -0.04 -0.02 -0.11 0.03 0.01 0.02 0.01 0.06 0.03 -0.03 -0.01 0.01 -0.03 0.05 0.15 0.00 0.00 -0.01 0.03 -0.04 0.04 0.06 -0.02 -0.00 0.01 -0.00 -0.00 -0.11 0.03 0.01 0.01 -0.02 -0.01 -0.01 0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.02 -0.02 -0.04 0.06 -0.00 -0.02 0.08 -0.12 -0.11 0.06 -0.09 -0.32 -0.00 -0.05 -0.24 0.03 0.01 0.02 0.02 0.01 -0.00 0.11 -0.10 -0.05 0.21 0.01 0.55 0.12 -0.04 -0.10 0.06 0.04 -0.09 -0.13 -0.06 0.03 -0.03 0.02 0.02 0.21 0.01 -0.05 -0.00 -0.02 -0.01 -0.17 -0.11 -0.04 -0.20 -0.00 0.13 0.03 -0.00 -0.02 0.01 0.02 0.00 -0.01 -0.00 0.01 0.01 -0.02 -0.01 -0.02 0.02 0.02 -0.02 -0.02 -0.04 0.16 -0.11 0.16 -0.15 -0.04 -0.04 0.01 0.05 -0.02 0.01 -0.02 -0.01 -0.01 -0.00 0.01 -0.00 0.00 0.01 0.02 0.00 -0.01 -0.01 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.02 -0.00 0.00 -0.01 -0.01 0.01 0.01 0.00 0.00 0.00 0.01 0.00 0.02 -0.01 -0.01 0.01 0.01 -0.08 0.02 -0.02 0.04 -0.02 0.03 0.03 -0.02 0.06 -0.05 -0.00 0.01 -0.03 -0.02 -0.03 0.02 0.01 -0.02 -0.02 0.01 -0.00 0.01 0.00 0.01 0.00 0.00 -0.03 -0.04 0.01 -0.01 0.03 -0.02 -0.01 -0.01 0.03 0.01 -0.01 -0.04 0.00 -0.01 -0.03 -0.03 -0.01 -0.01 0.02 0.03 0.01 0.01 -0.00 0.02 0.01 0.00 0.03 0.01 0.00 0.02 0.02 -0.04 -0.03 -0.01 -0.07 0.02 -0.08 -0.13 -0.07 0.00 0.04 0.13 0.03 0.25 -0.02 -0.14 0.04 0.04 0.27 0.02 -0.17 0.00 -0.05 -0.03 -0.06 0.02 0.01 -0.16 -0.08 0.16 -0.01 0.04 0.02 -0.04 0.03 0.02 -0.03 0.52 0.32 -0.07 -0.32 -0.10 -0.04 0.35 0.16 -0.01 -0.01 0.01 0.02 -0.05 -0.03 0.00 0.00 -0.00 -0.00 0.01 0.01 0.02 0.00 -0.02 -0.03 -0.00 -0.00 0.01 0.01 0.01 0.00 -0.00 0.01 -0.00 0.00 0.01 0.00 0.01 -0.02 0.01 -0.01 -0.01 -0.00 0.00 0.01 0.01 -0.00 -0.01 -0.02 -0.02 0.02 -0.00 0.02 -0.01 0.01 -0.01 0.01 0.06 0.07 -0.05 -0.02 0.02 0.00 0.03 -0.06 -0.04 -0.04 0.04 0.02 -0.04 -0.06 0.03 -0.01 0.01 0.01 0.02 -0.00 -0.00 0.02 0.03 0.00 0.00 -0.01 0.00 -0.01 0.02 0.04 0.01 0.01 0.02 -0.02 0.02 0.04 -0.06 0.02 -0.02 0.06 0.03 0.04 -0.00 0.01 0.03 -0.02 -0.01 -0.04 -0.02 -0.00 -0.01 -0.01 0.02 0.01 0.01 0.03 -0.00 0.02 0.04 0.02 -0.02 -0.02 -0.04 0.07 0.62 -0.04 0.06 -0.01 -0.01 -0.10 -0.01 0.06 0.04 -0.05 -0.03 -0.07 0.04 0.03 -0.39 -0.18 0.37 -0.04 0.09 0.04 -0.07 0.05 0.03 -0.03 -0.28 -0.17 0.04 0.16 0.06 0.00 -0.17 -0.08 -0.02 -0.05 0.03 0.00 -0.00 -0.00 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.01 0.03 0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.00 -0.00 0.00 -0.01 0.07 -0.04 0.03 -0.05 0.04 0.01 0.01 -0.00 -0.09 0.05 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.07 -0.10 0.02 -0.00 0.04 0.00 0.01 -0.00 -0.00 0.01 0.03 -0.02 0.02 0.04 -0.00 0.01 -0.00 0.01 0.00 0.01 -0.01 0.00 -0.01 -0.01 -0.01 -0.03 -0.01 -0.00 -0.02 -0.05 0.03 0.07 0.08 0.10 -0.02 0.16 0.19 0.12 0.03 -0.04 -0.17 0.01 0.06 -0.00 0.14 -0.07 -0.05 -0.29 -0.02 0.14 0.01 0.00 0.00 -0.00 0.00 0.00 -0.04 -0.02 0.03 -0.01 0.01 0.01 -0.01 0.00 0.00 0.46 0.46 0.24 -0.12 -0.14 -0.20 0.28 0.15 0.14 -0.00 0.01 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.03 -0.11 -0.01 0.02 0.02 -0.00 -0.01 -0.04 -0.01 -0.01 0.01 -0.01 0.01 0.03 0.02 0.05 0.11 0.01 -0.02 0.00 0.00 0.00 -0.05 -0.02 -0.00 -0.06 -0.00 -0.03 0.02 0.01 -0.02 -0.01 -0.01 0.01 0.01 0.00 -0.01 0.02 0.06 -0.01 0.01 -0.01 -0.00 -0.06 0.17 0.11 0.14 -0.12 -0.08 -0.03 -0.04 0.02 -0.02 -0.03 0.02 -0.06 -0.01 -0.01 -0.01 -0.01 0.01 0.00 0.00 -0.01 0.11 -0.07 -0.21 -0.02 -0.00 0.04 0.08 -0.05 -0.05 0.04 0.21 0.04 0.04 -0.15 0.06 0.01 -0.05 -0.23 0.09 0.03 0.15 0.07 -0.00 -0.09 0.00 0.01 -0.01 -0.03 -0.01 0.01 -0.02 -0.03 -0.02 0.03 0.01 0.01 0.03 0.43 -0.00 -0.04 0.00 0.00 0.04 0.00 -0.02 0.05 0.29 0.18 0.38 -0.11 -0.08 -0.16 -0.10 0.16 -0.03 -0.01 0.02 0.20 -0.16 -0.09 -0.03 0.05 0.03 0.01 -0.04 0.01 -0.04 0.04 0.01 -0.01 -0.05 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.01 0.01 -0.00 0.01 -0.03 -0.00 0.00 0.00 0.01 -0.00 0.00 0.04 -0.04 -0.04 0.00 0.05 0.15 -0.00 0.01 0.02 0.04 -0.02 0.02 0.01 -0.00 0.00 -0.06 -0.01 -0.10 -0.01 -0.00 0.00 -0.09 0.10 0.10 0.12 -0.04 -0.08 0.01 -0.01 -0.01 0.02 0.02 -0.01 0.01 -0.03 -0.02 -0.03 0.03 0.02 0.00 0.01 -0.00 0.01 0.01 -0.00 0.01 0.01 0.00 -0.03 -0.03 0.03 0.02 0.02 -0.03 0.13 -0.16 -0.14 -0.09 0.07 0.24 0.02 0.02 0.15 0.01 -0.09 -0.01 0.04 0.09 -0.01 -0.03 -0.03 -0.26 0.03 0.03 0.01 0.02 -0.00 -0.12 -0.08 0.23 -0.07 -0.42 0.05 0.08 -0.03 -0.06 -0.09 0.35 0.01 -0.06 0.01 -0.09 -0.01 -0.22 -0.11 -0.05 0.11 0.04 0.03 -0.03 -0.08 -0.06 -0.09 0.02 0.01 -0.01 0.01 0.00 0.01 -0.00 -0.01 -0.04 0.03 0.02 -0.20 0.08 0.07 0.09 -0.10 0.11 -0.19 0.07 -0.01 -0.03 0.08 0.01 -0.00 -0.01 0.00 0.01 0.01 -0.02 -0.01 0.00 0.01 -0.02 0.00 -0.04 0.01 0.01 0.01 0.02 -0.01 -0.00 0.02 -0.08 -0.04 0.03 0.04 0.15 0.02 0.01 0.03 0.02 0.05 0.04 0.02 -0.00 0.00 -0.10 -0.01 -0.09 -0.01 0.00 0.00 0.07 -0.12 -0.07 -0.07 0.05 0.07 0.00 -0.01 -0.00 -0.02 -0.04 -0.01 0.00 -0.03 -0.02 -0.03 0.02 0.01 0.00 0.01 -0.00 0.01 0.01 -0.01 0.02 0.02 0.01 0.02 0.03 -0.02 -0.01 -0.01 0.02 0.19 -0.30 -0.21 -0.06 0.03 0.18 0.09 -0.03 0.09 0.01 -0.10 -0.00 0.05 0.10 -0.01 -0.00 -0.08 -0.39 0.11 0.04 0.18 0.08 -0.02 -0.20 0.04 -0.20 0.07 0.33 -0.06 -0.05 0.06 0.03 0.06 -0.21 0.02 0.08 -0.01 -0.12 -0.01 0.12 0.08 0.03 -0.07 -0.04 -0.06 -0.13 -0.14 -0.11 -0.14 0.02 0.01 -0.01 0.01 0.02 0.02 -0.01 -0.01 -0.00 0.03 0.02 0.12 -0.08 -0.07 -0.06 0.06 -0.08 0.13 -0.05 0.01 -0.05 -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 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.01 0.02 0.00 0.00 0.00 0.01 0.01 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.00 0.00 0.00 0.15 0.04 0.03 -0.15 -0.14 -0.11 -0.00 -0.00 -0.00 0.10 0.15 0.13 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 -0.05 -0.02 -0.00 0.01 0.01 0.00 0.01 -0.02 0.04 -0.01 -0.00 -0.01 0.02 0.02 -0.00 -0.01 -0.00 0.01 0.02 0.00 0.01 -0.02 -0.02 0.01 -0.01 0.04 -0.00 -0.01 -0.06 0.24 0.20 -0.29 -0.11 -0.23 -0.05 -0.49 -0.09 -0.08 -0.38 -0.19 -0.19 0.01 -0.02 0.00 0.20 0.04 0.08 0.05 0.13 0.21 -0.02 -0.02 -0.01 -0.01 0.00 -0.00 -0.01 0.00 0.01 0.01 -0.01 -0.01 0.00 0.00 0.00 0.01 0.09 0.06 0.01 0.07 0.03 -0.01 -0.05 -0.02 -0.01 0.02 0.00 0.00 -0.02 -0.01 -0.00 -0.00 0.00 -0.00 0.01 0.02 0.05 0.01 -0.03 -0.06 -0.02 -0.01 -0.07 0.06 0.04 0.02 -0.02 -0.00 -0.01 -0.01 0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.01 -0.01 0.01 -0.02 -0.02 -0.00 0.01 0.01 -0.02 -0.00 -0.01 0.00 0.00 -0.00 -0.02 0.00 0.00 -0.00 0.00 0.07 -0.02 -0.01 0.03 -0.00 0.00 0.01 0.02 -0.00 0.02 0.03 -0.01 -0.05 -0.08 -0.06 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.04 0.04 -0.00 0.02 -0.05 0.04 0.08 -0.06 -0.11 -0.03 0.05 0.10 0.01 0.01 -0.02 0.01 -0.01 -0.02 0.01 -0.02 -0.02 -0.07 0.00 -0.02 0.00 0.03 -0.01 -0.00 -0.01 -0.00 0.00 -0.01 0.00 0.01 -0.01 -0.14 -0.00 0.01 0.01 0.01 0.00 -0.00 -0.01 0.62 0.48 0.31 0.31 0.02 0.01 -0.03 0.01 0.03 0.03 0.02 -0.02 -0.26 0.02 0.02 0.01 0.01 0.00 -0.00 -0.00 -0.01 0.00 0.01 0.00 -0.01 0.01 -0.00 -0.01 0.20 0.03 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.03 0.01 0.04 -0.01 -0.01 0.00 -0.01 0.01 0.01 -0.00 -0.03 -0.04 -0.01 0.03 0.00 -0.05 0.03 0.02 0.01 0.02 0.02 0.03 0.01 -0.00 -0.00 -0.02 -0.00 0.00 -0.07 -0.01 0.01 -0.01 -0.00 -0.01 -0.00 -0.00 0.09 -0.00 -0.09 0.00 0.00 0.00 0.02 -0.02 -0.01 -0.01 0.01 0.01 0.02 -0.12 -0.03 -0.12 -0.17 0.10 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.05 -0.14 -0.00 -0.11 0.04 0.08 0.03 -0.03 0.01 0.08 -0.01 0.01 -0.08 0.05 -0.06 -0.03 0.03 -0.05 -0.00 0.03 -0.04 0.01 0.02 0.08 0.01 -0.01 -0.01 0.02 -0.02 -0.01 -0.01 -0.00 -0.00 -0.02 -0.00 0.00 0.11 0.41 -0.09 0.01 0.01 0.01 -0.00 0.00 0.00 0.15 0.10 0.05 0.02 0.02 0.00 0.46 0.01 -0.44 -0.23 0.17 0.23 -0.10 0.03 0.02 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 0.00 -0.00 -0.00 -0.05 -0.00 0.01 0.02 -0.03 0.01 -0.01 -0.02 0.06 0.02 0.12 -0.01 -0.01 -0.00 -0.01 0.01 0.01 -0.01 -0.08 -0.07 -0.04 0.12 -0.06 -0.05 -0.03 -0.05 0.03 0.03 0.04 -0.01 0.01 -0.01 0.03 -0.08 0.03 0.03 0.02 -0.01 0.01 -0.00 0.00 -0.01 -0.00 -0.01 -0.04 0.01 0.03 0.00 0.01 0.01 0.00 0.00 0.00 -0.00 0.01 0.01 -0.01 0.02 0.01 0.02 0.04 -0.02 0.00 -0.02 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.14 -0.41 -0.00 -0.43 0.14 0.21 0.14 -0.15 -0.03 0.06 0.15 0.01 -0.15 -0.21 -0.01 -0.11 0.14 -0.12 -0.03 0.15 -0.23 0.07 0.12 0.42 0.02 -0.00 -0.02 0.01 -0.03 -0.01 -0.01 -0.01 -0.01 -0.03 -0.01 -0.00 -0.03 0.04 0.05 0.02 0.01 0.01 -0.02 0.00 0.01 0.06 0.07 0.01 0.06 0.02 0.01 -0.07 0.00 0.07 0.04 -0.03 -0.05 0.01 -0.03 -0.01 0.01 0.00 0.00 -0.00 0.01 -0.00 0.01 -0.00 -0.00 -0.01 0.01 0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.00 -0.03 -0.01 0.00 -0.00 -0.04 0.09 0.06 0.02 -0.00 0.01 -0.01 0.00 0.00 0.00 0.01 0.00 0.01 -0.01 -0.00 -0.02 0.00 0.00 0.01 0.00 -0.00 -0.01 -0.01 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 -0.01 0.00 -0.00 0.00 -0.07 -0.01 -0.01 0.01 0.08 0.06 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.07 -0.15 -0.10 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.02 -0.00 0.01 0.02 -0.03 0.02 0.02 -0.03 -0.04 -0.01 0.05 0.07 0.01 -0.00 0.01 0.03 -0.02 -0.01 -0.03 -0.02 -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 0.01 -0.02 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.24 -0.16 -0.09 0.30 0.11 0.08 0.02 0.00 -0.02 -0.01 0.03 0.02 0.63 -0.46 -0.31 0.01 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.06 -0.07 -0.02 -0.01 -0.01 0.01 -0.01 -0.02 0.01 -0.01 -0.03 -0.05 0.02 -0.01 0.15 0.04 -0.00 0.02 -0.04 0.04 0.03 -0.15 0.08 -0.08 0.15 -0.06 0.04 -0.05 -0.03 -0.01 -0.05 0.06 0.03 0.12 0.03 -0.05 -0.09 0.04 -0.00 0.06 0.03 -0.04 -0.01 0.04 -0.02 -0.00 -0.01 0.01 -0.03 0.03 0.03 0.01 0.01 -0.01 0.02 -0.04 -0.03 -0.04 0.06 0.04 -0.02 -0.01 0.02 0.00 -0.00 -0.01 0.00 -0.07 -0.05 -0.01 -0.01 0.02 0.00 0.00 -0.01 -0.17 0.10 -0.07 0.18 -0.13 -0.15 0.17 -0.07 -0.12 0.18 0.18 0.06 -0.28 -0.27 -0.09 0.09 -0.15 -0.24 0.14 -0.00 0.37 0.12 -0.04 -0.27 0.04 -0.07 0.01 0.01 0.03 -0.01 -0.04 0.02 0.02 0.02 -0.00 -0.03 -0.03 0.13 0.04 0.00 -0.03 -0.03 0.03 0.01 0.03 0.10 0.01 0.02 -0.12 0.07 0.03 -0.02 -0.01 0.02 0.03 -0.12 -0.05 -0.03 -0.06 -0.05 -0.04 0.01 0.02 0.02 -0.02 0.02 -0.04 0.02 0.00 0.04 -0.06 -0.02 0.02 0.04 -0.02 0.01 0.01 -0.02 -0.02 0.00 0.01 -0.07 -0.01 -0.13 0.02 0.02 0.01 -0.02 0.02 0.01 -0.16 -0.01 0.20 0.11 0.08 -0.08 0.06 0.02 0.05 -0.01 0.04 0.02 0.05 0.00 0.00 -0.02 -0.07 0.05 -0.05 -0.01 0.02 -0.01 0.03 0.02 0.01 0.00 -0.02 0.02 -0.01 -0.02 -0.00 0.00 0.01 0.02 -0.02 -0.02 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.04 -0.01 -0.00 -0.02 -0.02 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.01 -0.19 0.03 -0.21 -0.04 -0.16 0.39 -0.31 -0.24 -0.20 -0.21 -0.03 0.18 0.20 0.04 -0.05 0.04 -0.28 0.08 0.15 0.00 0.17 0.07 0.24 0.03 0.00 -0.02 -0.02 -0.04 -0.00 0.04 -0.00 -0.02 -0.05 -0.01 0.01 0.01 -0.16 -0.03 0.00 0.01 0.01 -0.04 -0.00 0.00 0.07 0.03 0.01 -0.04 0.00 0.00 -0.09 -0.02 0.08 0.02 -0.09 -0.02 -0.08 0.01 0.01 0.02 0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.01 0.00 0.01 -0.02 -0.00 -0.06 -0.12 0.05 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.01 -0.01 -0.00 -0.00 0.01 -0.01 -0.01 -0.05 0.01 0.01 0.04 0.00 -0.01 0.02 0.03 -0.03 -0.00 0.01 0.01 -0.02 0.00 0.00 -0.02 -0.00 0.01 -0.02 -0.06 0.03 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.04 -0.06 -0.05 0.00 0.00 -0.00 -0.01 0.01 0.00 0.00 -0.01 -0.00 0.05 -0.02 -0.05 -0.01 0.17 0.02 0.00 0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.04 -0.00 0.01 -0.01 -0.02 -0.04 0.09 -0.05 -0.04 -0.01 0.13 -0.00 0.11 0.11 0.04 0.01 -0.02 -0.08 0.04 0.03 0.06 0.05 0.00 -0.01 0.01 -0.00 0.00 -0.01 0.01 -0.00 -0.00 0.01 0.00 -0.01 -0.00 -0.01 0.05 0.09 -0.04 0.00 -0.01 -0.01 0.00 0.00 0.01 -0.02 -0.01 -0.00 0.03 -0.00 -0.00 0.28 0.06 -0.27 -0.18 0.77 0.24 0.02 0.00 0.00 -0.01 0.00 0.00 0.01 -0.00 0.01 -0.01 0.00 -0.00 0.00 0.02 -0.04 -0.00 -0.01 0.00 -0.02 -0.00 0.02 -0.00 -0.00 -0.01 0.00 -0.00 0.02 0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 0.02 -0.01 0.02 -0.01 0.00 -0.01 -0.00 -0.00 0.03 -0.04 -0.01 0.01 0.00 -0.00 -0.01 0.01 -0.00 0.01 0.00 -0.01 -0.02 -0.03 0.14 0.03 0.08 -0.12 -0.00 0.00 0.00 -0.04 -0.06 0.12 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 0.06 0.03 -0.12 -0.04 -0.01 0.05 -0.05 0.08 -0.01 0.01 -0.00 0.01 0.01 0.00 -0.01 0.03 0.03 0.01 -0.04 -0.04 -0.01 0.01 -0.02 -0.02 0.01 0.00 0.04 0.01 -0.00 -0.03 -0.04 0.25 -0.13 -0.20 -0.31 0.06 0.31 -0.17 -0.20 -0.13 0.03 0.22 0.00 0.02 0.01 -0.10 0.20 0.22 -0.23 -0.08 -0.16 0.01 0.00 0.01 -0.03 0.00 0.00 0.01 0.00 -0.02 -0.00 0.01 0.00 -0.01 -0.00 -0.00 0.30 -0.02 -0.12 -0.14 0.15 -0.16 0.26 -0.11 0.01 -0.04 0.04 0.03 -0.06 -0.06 0.06 0.01 0.01 -0.00 -0.03 -0.01 -0.02 -0.16 -0.03 -0.08 0.17 0.06 0.05 -0.06 0.08 0.05 0.08 -0.03 0.08 -0.07 0.03 -0.01 0.05 -0.00 0.08 0.03 -0.06 -0.04 0.09 -0.01 -0.01 0.05 -0.02 -0.00 0.11 0.08 -0.11 0.01 -0.01 -0.01 -0.00 -0.01 0.01 -0.01 0.05 0.01 0.00 0.00 -0.01 0.04 -0.05 -0.03 -0.02 0.01 -0.00 -0.02 -0.07 0.01 -0.00 0.06 0.01 -0.03 -0.09 -0.07 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.09 0.10 -0.21 -0.04 0.03 -0.02 -0.07 0.02 -0.01 0.19 0.00 0.08 -0.30 -0.23 -0.20 -0.04 0.08 0.11 -0.06 -0.00 -0.17 -0.06 0.02 0.12 -0.04 0.04 0.02 0.00 0.04 0.00 -0.02 0.01 0.02 0.01 -0.00 -0.03 0.00 0.11 0.01 0.00 -0.02 -0.02 0.02 0.01 0.01 0.15 0.03 0.04 -0.52 -0.02 -0.02 0.15 -0.01 -0.14 -0.03 0.14 0.05 -0.22 0.00 -0.01 -0.03 0.00 0.01 0.01 -0.01 0.01 -0.01 0.00 -0.00 0.15 -0.11 -0.08 -0.03 -0.03 0.02 0.01 -0.04 0.00 -0.00 0.01 0.03 -0.03 -0.01 -0.07 -0.04 -0.00 -0.01 0.01 -0.02 -0.01 0.08 -0.02 0.02 -0.10 -0.05 0.02 0.01 -0.01 0.03 -0.20 0.27 0.12 0.02 -0.00 -0.00 0.05 0.03 -0.02 0.05 0.04 -0.05 -0.03 0.04 0.03 -0.01 0.01 -0.04 0.00 0.03 0.01 0.00 -0.01 0.03 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.01 -0.04 0.01 0.00 0.02 0.00 0.01 0.01 0.01 0.01 0.00 -0.03 -0.01 -0.00 0.01 0.36 -0.53 -0.03 0.14 -0.03 -0.05 -0.19 0.09 -0.04 0.03 -0.05 0.02 -0.07 -0.03 -0.07 0.02 0.01 0.22 -0.08 -0.12 -0.10 -0.14 -0.02 -0.03 0.22 -0.24 -0.06 -0.00 -0.13 -0.01 0.02 -0.04 -0.06 -0.04 0.00 0.05 -0.01 0.03 -0.01 -0.04 0.04 0.05 -0.06 -0.02 -0.03 -0.03 -0.02 -0.03 0.13 0.02 -0.00 0.04 -0.02 -0.05 -0.01 0.07 0.03 0.01 0.02 0.01 0.07 0.00 -0.02 -0.03 0.03 -0.03 0.04 -0.02 0.00 -0.03 0.02 0.01 -0.06 -0.03 0.06 -0.00 0.01 -0.00 -0.00 0.02 0.04 0.07 -0.01 -0.08 -0.13 -0.02 -0.02 0.02 -0.08 -0.05 -0.04 0.00 0.02 0.05 0.02 0.00 -0.05 -0.05 0.06 0.04 -0.05 -0.02 0.04 0.00 0.01 -0.03 -0.01 0.00 0.13 0.15 -0.14 0.01 -0.01 0.01 0.00 0.00 0.00 0.02 0.12 -0.00 0.00 0.01 -0.02 -0.01 0.01 0.00 0.00 0.03 0.02 -0.05 -0.12 0.03 0.00 0.01 -0.00 0.02 0.05 0.04 -0.01 -0.01 0.02 0.01 0.00 -0.01 -0.15 0.10 0.22 -0.03 -0.01 -0.02 0.09 -0.04 0.05 -0.03 -0.37 -0.03 -0.22 -0.16 -0.11 -0.01 -0.01 -0.11 0.04 0.05 0.04 0.06 0.01 0.01 -0.06 0.09 0.01 0.02 -0.04 -0.00 0.06 0.02 0.01 -0.03 -0.01 0.00 0.01 -0.15 -0.03 0.08 -0.00 -0.02 -0.03 -0.00 0.01 -0.11 -0.07 -0.06 0.61 0.06 0.06 0.08 -0.09 -0.09 -0.02 0.08 0.04 0.06 0.04 0.03 -0.01 -0.00 0.02 0.02 -0.02 0.02 -0.03 0.02 -0.00 0.01 0.01 -0.04 0.00 0.00 -0.00 -0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 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 -0.01 -0.01 0.01 -0.02 -0.02 0.07 0.01 0.03 -0.01 -0.00 -0.01 0.00 0.01 0.04 -0.07 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.07 -0.04 0.08 0.04 0.01 -0.04 0.02 -0.01 -0.02 0.01 0.00 0.01 -0.01 0.01 -0.01 0.01 0.03 0.00 0.01 0.01 0.00 0.00 -0.00 0.02 -0.00 -0.01 -0.00 -0.01 -0.00 -0.01 -0.09 0.18 -0.04 0.11 -0.34 -0.01 0.44 0.07 -0.01 -0.33 -0.05 0.03 -0.00 0.03 0.00 0.52 -0.01 -0.12 -0.31 -0.05 0.07 0.00 0.00 0.00 -0.04 -0.01 -0.00 0.00 0.01 -0.00 0.01 -0.02 -0.01 -0.01 0.00 0.00 -0.09 0.01 0.11 0.14 -0.12 0.14 -0.15 0.06 -0.01 -0.01 0.00 0.01 0.01 -0.02 -0.02 0.00 0.00 -0.00 -0.01 0.01 0.01 -0.01 -0.01 -0.05 -0.04 0.00 0.00 -0.00 -0.03 -0.02 -0.00 -0.00 0.02 0.01 0.01 0.00 -0.01 0.05 0.04 0.01 -0.01 -0.01 0.04 0.00 0.01 -0.00 -0.01 -0.00 0.04 -0.08 -0.05 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.06 -0.12 0.05 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.01 0.06 0.02 -0.01 0.08 0.02 0.01 0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.02 0.02 0.05 -0.01 -0.00 -0.02 0.02 -0.01 0.00 0.12 0.03 0.03 -0.09 0.06 -0.10 -0.01 0.01 -0.02 0.00 0.01 -0.01 0.01 0.00 0.01 0.00 -0.01 0.00 -0.01 0.03 0.00 -0.02 -0.00 -0.00 0.01 0.00 -0.00 -0.04 0.66 0.08 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.05 -0.05 -0.04 0.24 0.03 0.03 0.24 0.17 -0.22 0.14 -0.45 -0.18 -0.02 0.03 0.02 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 -0.02 -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 -0.00 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 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.05 0.03 0.01 -0.06 -0.04 0.03 -0.00 -0.00 -0.00 -0.06 -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 0.02 0.03 0.00 -0.01 0.00 -0.00 0.03 -0.05 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.02 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 -0.01 -0.01 -0.00 -0.00 -0.25 0.47 -0.01 0.29 -0.42 -0.09 0.08 0.11 0.09 0.41 0.06 0.01 0.00 0.00 0.00 0.04 0.04 0.01 0.45 0.10 0.02 -0.01 -0.01 -0.01 0.03 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.07 -0.04 -0.03 -0.02 -0.02 -0.03 0.01 0.02 0.01 -0.01 0.01 0.01 0.01 0.01 -0.01 0.00 0.00 0.00 -0.01 -0.01 -0.02 -0.07 -0.00 0.03 0.01 0.06 0.04 -0.04 -0.05 -0.04 0.02 -0.00 0.01 -0.02 0.00 0.00 0.03 0.01 -0.01 0.00 -0.01 -0.01 0.08 0.00 -0.01 0.02 -0.00 -0.00 -0.05 -0.02 0.05 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.01 0.00 -0.00 0.00 0.05 0.01 0.01 -0.03 0.04 0.03 0.02 0.02 -0.02 0.00 -0.03 -0.00 0.02 -0.05 -0.03 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.05 0.04 -0.14 0.01 -0.00 -0.02 -0.02 0.01 -0.05 0.08 0.20 0.04 -0.07 -0.10 -0.02 -0.01 0.02 0.04 -0.02 -0.01 -0.04 -0.03 0.00 0.02 0.01 -0.02 0.00 -0.02 0.04 0.01 -0.01 -0.01 -0.01 -0.01 0.00 0.01 0.00 -0.13 -0.01 0.01 0.01 0.01 -0.02 -0.01 -0.00 -0.21 -0.23 -0.16 0.67 0.09 0.08 -0.10 -0.02 0.10 -0.05 0.15 0.05 -0.40 0.18 0.10 0.03 -0.01 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.01 -0.00 0.01 -0.01 -0.01 0.00 0.00 0.01 -0.01 0.00 -0.01 -0.02 0.04 0.01 0.00 0.01 0.10 0.08 -0.02 0.03 0.02 -0.07 0.04 -0.00 0.01 -0.06 -0.01 -0.01 -0.02 -0.00 0.05 -0.03 0.01 -0.08 -0.02 0.01 0.02 0.08 -0.01 0.03 0.02 -0.03 0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.01 -0.02 -0.01 0.04 -0.06 -0.04 -0.02 -0.02 0.01 -0.00 0.02 0.00 0.02 -0.04 -0.03 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.12 -0.39 0.14 -0.03 0.15 0.49 0.06 -0.08 -0.42 -0.09 -0.11 -0.03 0.12 0.12 0.05 0.10 -0.08 0.17 -0.05 -0.13 0.07 -0.10 -0.04 -0.20 -0.04 0.03 0.01 -0.02 0.03 0.00 -0.01 0.00 0.00 -0.04 -0.01 -0.01 0.00 0.04 0.00 -0.03 -0.02 -0.01 -0.01 0.00 -0.00 -0.11 -0.12 -0.11 0.05 -0.07 -0.04 0.06 0.01 -0.06 0.03 -0.07 -0.03 -0.21 0.08 0.05 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.02 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.02 0.01 -0.00 -0.01 -0.02 0.04 0.01 -0.01 -0.03 0.16 0.12 -0.03 0.04 0.03 0.05 -0.03 -0.05 0.03 0.05 -0.00 -0.01 -0.01 -0.01 -0.05 0.05 0.01 -0.08 -0.04 0.01 -0.05 -0.07 0.01 0.01 0.01 -0.01 -0.00 0.01 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.05 -0.04 0.09 -0.10 -0.07 -0.01 -0.01 0.01 -0.00 0.00 0.00 0.03 -0.04 -0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.20 0.27 0.27 0.00 -0.12 -0.35 -0.06 0.11 0.54 0.07 -0.01 -0.01 0.05 0.04 0.04 -0.08 0.03 -0.21 0.08 0.14 0.02 0.14 0.04 0.15 0.04 -0.03 -0.01 0.03 -0.05 -0.01 0.00 0.00 -0.00 0.05 0.01 0.01 0.00 0.02 -0.00 0.03 0.01 0.01 0.02 0.00 -0.01 -0.13 -0.18 -0.12 -0.01 -0.11 -0.08 0.01 0.00 -0.02 0.01 -0.03 -0.01 -0.17 0.07 0.04 0.03 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.02 -0.01 -0.01 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.00 0.00 -0.00 0.00 0.00 0.01 0.01 -0.01 0.01 0.01 0.01 -0.05 -0.00 -0.06 0.00 0.00 -0.00 -0.07 -0.05 0.02 0.00 0.02 0.01 -0.02 0.00 0.00 -0.01 -0.01 0.01 -0.00 0.01 0.00 0.00 -0.01 -0.01 -0.03 0.00 0.04 0.01 0.02 -0.04 -0.01 0.01 -0.02 -0.01 0.01 0.02 0.01 -0.00 -0.00 -0.05 -0.06 -0.02 0.05 0.05 0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.26 -0.24 -0.08 -0.22 0.26 0.06 0.08 -0.05 -0.08 0.32 0.08 0.06 0.00 0.01 -0.00 0.57 0.22 0.09 0.20 0.03 -0.01 -0.02 -0.01 -0.00 0.00 0.01 0.00 0.02 0.00 -0.02 0.01 -0.03 -0.01 -0.06 0.02 0.01 0.34 -0.12 0.01 0.05 -0.09 0.06 -0.08 0.06 -0.01 0.01 -0.01 -0.01 -0.01 -0.01 0.00 -0.00 -0.01 0.00 0.02 0.00 0.01 0.04 0.01 0.03 0.14 -0.09 -0.06 0.01 0.02 0.01 -0.00 -0.00 -0.01 0.01 0.01 -0.01 -0.01 -0.02 -0.01 -0.02 0.02 0.01 -0.13 -0.00 -0.00 -0.01 -0.02 0.01 0.03 0.03 -0.04 -0.01 -0.00 0.01 0.02 -0.01 0.02 0.01 0.01 -0.00 0.01 0.02 -0.01 0.03 0.12 0.08 -0.12 0.03 0.01 -0.03 -0.03 0.03 -0.00 0.03 0.01 0.01 -0.08 -0.05 0.01 -0.00 -0.01 -0.01 0.00 0.00 -0.02 0.09 -0.10 0.03 -0.05 -0.14 -0.03 0.04 0.19 -0.22 -0.27 -0.09 0.27 0.23 0.13 -0.02 0.00 -0.07 0.02 0.04 0.00 0.04 0.01 0.04 -0.03 0.02 0.02 0.05 -0.09 -0.01 0.08 0.05 0.04 -0.19 -0.06 -0.04 0.01 0.07 -0.01 -0.24 -0.10 -0.04 0.06 0.03 0.03 -0.19 -0.08 -0.04 0.17 0.04 0.04 0.11 0.02 -0.12 0.06 -0.16 -0.06 -0.45 0.18 0.09 -0.01 -0.00 -0.01 -0.03 0.03 -0.03 -0.02 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -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 -0.02 0.02 0.02 -0.04 0.01 -0.00 -0.00 0.00 -0.02 0.03 -0.00 -0.00 -0.01 -0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.02 -0.01 0.03 -0.03 0.04 -0.05 -0.00 0.00 0.02 -0.01 0.01 0.02 0.00 -0.00 -0.01 0.03 0.03 0.01 -0.04 -0.03 -0.02 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.08 -0.11 -0.00 -0.08 0.00 0.03 0.34 0.10 0.05 -0.38 -0.12 -0.11 -0.00 -0.01 0.00 -0.33 -0.12 -0.05 0.41 0.13 0.10 0.03 0.01 0.01 -0.02 -0.00 -0.01 -0.02 -0.00 0.02 -0.01 0.02 0.01 0.06 -0.02 -0.01 0.47 -0.19 -0.01 -0.04 0.05 -0.06 -0.24 0.11 -0.03 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.03 0.02 0.03 0.02 0.00 0.00 -0.00 0.06 -0.02 0.02 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.01 -0.05 0.05 -0.02 0.04 -0.06 0.03 -0.01 -0.09 0.03 -0.03 -0.08 -0.00 -0.01 -0.02 -0.06 -0.05 -0.02 0.04 0.03 0.02 -0.01 0.01 -0.01 -0.01 0.00 -0.03 -0.01 -0.00 0.01 -0.18 0.18 0.06 0.11 -0.06 -0.04 -0.39 -0.08 -0.01 0.14 0.06 0.08 0.00 0.00 -0.00 -0.09 0.00 0.04 -0.41 -0.14 -0.09 -0.00 -0.00 -0.00 -0.02 0.00 -0.01 0.02 0.00 -0.02 0.01 -0.03 -0.01 0.01 -0.00 -0.00 0.55 -0.21 0.04 -0.01 0.04 -0.03 -0.31 0.12 -0.04 0.01 -0.01 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.01 0.03 -0.02 -0.01 -0.09 0.04 -0.04 -0.04 0.01 0.02 0.01 0.02 -0.03 -0.00 0.05 -0.02 -0.06 0.00 -0.00 0.02 -0.01 0.02 0.01 -0.03 -0.01 0.00 -0.03 0.02 -0.01 -0.01 -0.01 0.01 -0.00 0.01 -0.00 0.00 0.01 0.00 -0.01 -0.00 0.01 0.01 -0.00 0.01 0.01 0.04 0.03 -0.04 0.00 0.00 0.02 0.02 -0.02 0.00 -0.03 -0.00 0.01 -0.02 -0.01 -0.00 -0.01 0.01 -0.00 0.01 -0.01 -0.17 -0.00 0.56 -0.16 0.14 0.42 -0.01 0.05 0.18 0.32 0.26 0.11 -0.18 -0.15 -0.09 0.04 -0.07 0.03 0.06 0.00 0.14 0.07 0.03 -0.04 -0.01 0.01 0.00 0.05 -0.04 -0.01 -0.09 -0.01 -0.00 0.05 0.01 0.02 -0.01 -0.02 0.01 -0.01 -0.00 0.01 -0.09 -0.03 -0.02 -0.04 0.01 -0.00 -0.02 0.00 0.00 -0.09 -0.01 0.09 -0.04 0.11 0.05 -0.10 0.04 0.02 0.10 -0.04 0.01 -0.00 0.01 -0.01 -0.06 0.02 -0.01 0.02 -0.00 -0.01 0.00 -0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.01 -0.02 -0.05 0.01 0.06 0.00 0.02 0.02 -0.02 -0.03 -0.02 0.05 -0.11 0.02 0.02 -0.00 -0.06 0.01 -0.00 -0.02 -0.06 0.04 -0.01 0.05 0.01 -0.01 -0.02 0.03 -0.02 0.00 0.01 -0.01 -0.02 0.02 0.01 -0.01 -0.01 0.00 0.01 0.01 -0.01 0.01 0.00 0.00 0.00 -0.03 -0.02 0.02 0.02 0.02 -0.02 -0.02 0.02 -0.00 0.02 0.00 -0.02 0.02 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.23 0.50 -0.12 -0.21 0.20 0.52 0.04 -0.03 0.00 -0.23 -0.18 -0.08 0.20 0.15 0.10 0.04 -0.07 0.12 0.05 -0.03 0.13 0.03 0.04 -0.01 0.08 -0.08 -0.03 0.10 -0.11 -0.02 -0.01 0.01 0.01 0.06 0.01 -0.00 0.01 0.01 -0.01 -0.04 -0.00 0.00 -0.03 -0.01 0.00 0.05 0.00 0.02 0.03 0.03 0.02 0.07 0.01 -0.07 0.03 -0.09 -0.04 0.09 -0.04 -0.02 0.00 0.00 0.00 -0.01 0.01 -0.01 -0.01 0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.02 -0.06 0.00 0.00 0.06 0.02 0.01 -0.03 -0.06 -0.04 -0.00 0.06 -0.00 0.01 -0.02 -0.05 -0.03 -0.07 -0.02 0.02 -0.01 0.00 0.01 0.00 0.00 -0.02 -0.01 0.01 0.01 -0.00 0.02 0.01 -0.01 -0.01 0.01 0.01 -0.00 0.02 0.05 -0.02 -0.01 -0.00 -0.00 0.01 -0.04 -0.03 0.01 0.06 0.04 -0.05 -0.05 0.04 0.01 0.04 -0.00 -0.07 0.03 0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.14 -0.32 0.19 0.02 -0.01 -0.02 -0.13 0.13 0.34 0.23 0.30 0.10 0.37 0.37 0.11 -0.00 -0.02 -0.02 0.03 0.03 0.05 0.06 0.02 0.04 -0.08 0.08 0.03 -0.07 0.08 0.01 -0.03 -0.01 -0.00 -0.06 -0.01 0.01 0.03 -0.10 -0.03 0.03 0.01 0.00 0.03 0.01 0.00 0.13 0.06 0.03 0.08 0.07 0.05 0.13 0.01 -0.13 0.07 -0.17 -0.08 0.15 -0.09 -0.05 0.00 -0.00 -0.00 0.00 -0.01 0.01 0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.02 0.04 0.01 0.01 0.01 -0.01 -0.01 -0.01 -0.01 0.05 0.01 0.02 -0.04 -0.08 0.05 0.08 -0.00 0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.03 -0.00 0.00 -0.01 0.00 -0.01 0.01 -0.02 -0.01 0.04 0.01 -0.00 -0.01 -0.04 0.01 -0.03 -0.01 0.00 0.01 -0.01 -0.01 0.01 0.01 0.01 0.02 0.03 -0.02 -0.01 -0.01 0.01 -0.02 0.01 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.17 -0.24 -0.04 -0.02 0.04 0.13 -0.18 0.18 0.45 -0.34 -0.41 -0.16 -0.20 -0.27 0.01 0.02 -0.07 0.01 0.04 0.01 0.10 0.09 0.04 0.04 -0.13 0.12 0.05 -0.07 0.08 0.01 -0.14 -0.04 -0.01 -0.16 -0.03 -0.00 -0.01 0.07 0.01 0.10 0.04 0.01 0.10 0.03 0.01 0.03 0.01 -0.00 0.01 0.02 0.01 -0.05 0.00 0.05 -0.02 0.06 0.04 0.03 -0.02 -0.01 0.01 0.00 -0.00 0.01 -0.03 0.02 0.03 -0.00 0.00 0.01 -0.02 -0.01 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.00 0.00 0.01 0.01 -0.01 -0.01 -0.00 -0.00 0.01 0.01 0.01 0.01 -0.04 -0.00 -0.01 0.02 0.03 -0.02 -0.02 0.00 -0.03 0.03 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.03 -0.02 0.15 0.03 0.00 0.00 0.01 -0.00 -0.10 -0.02 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 0.01 -0.01 -0.00 -0.01 0.02 -0.00 0.00 -0.00 -0.00 -0.10 0.17 -0.02 -0.01 0.00 -0.00 0.08 -0.08 -0.18 0.09 0.11 0.04 0.04 0.07 -0.01 -0.01 0.02 0.01 -0.01 -0.01 -0.03 -0.03 -0.01 -0.02 -0.26 0.19 0.11 -0.03 0.05 -0.00 -0.50 -0.12 -0.04 -0.45 -0.09 -0.01 0.00 -0.02 -0.00 0.30 0.11 0.04 0.32 0.09 0.03 -0.02 -0.01 0.00 -0.01 -0.01 -0.01 0.01 -0.00 -0.01 0.01 -0.02 -0.01 -0.02 0.02 0.01 0.04 -0.00 -0.01 0.04 -0.08 0.07 0.10 -0.02 0.00 0.01 -0.00 -0.01 -0.01 0.00 0.01 -0.00 -0.01 0.00 0.01 0.00 0.00 0.03 -0.01 -0.02 0.19 0.06 0.05 -0.06 -0.11 -0.08 0.01 -0.03 -0.06 -0.01 0.03 0.08 0.02 0.03 0.01 -0.01 0.02 0.01 -0.16 -0.03 0.00 0.02 -0.00 0.01 0.02 0.01 -0.03 -0.01 0.01 0.00 0.01 -0.00 -0.00 -0.03 -0.04 0.03 -0.00 -0.00 0.00 0.03 -0.07 -0.04 0.01 0.10 0.07 0.04 0.05 -0.04 -0.01 -0.04 0.00 -0.14 0.05 0.03 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.19 0.07 0.42 0.05 -0.06 -0.16 0.16 -0.15 -0.36 -0.13 -0.20 -0.06 -0.08 -0.10 -0.01 -0.02 0.07 -0.08 -0.05 0.01 -0.11 -0.08 -0.07 -0.09 0.02 -0.03 -0.01 0.06 -0.05 -0.01 -0.07 0.00 0.00 -0.01 -0.01 0.02 -0.03 0.11 0.03 0.02 -0.00 0.00 0.00 0.00 -0.01 0.21 0.08 0.05 0.20 0.12 0.10 -0.12 -0.01 0.12 -0.06 0.15 0.08 0.21 -0.16 -0.10 0.02 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.03 0.01 0.01 -0.01 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.05 -0.01 0.02 -0.01 -0.01 -0.01 0.00 0.01 0.01 0.03 -0.02 -0.05 -0.01 0.02 0.05 0.04 0.03 -0.01 -0.02 0.05 0.01 0.03 0.00 -0.01 0.00 -0.01 -0.04 -0.03 -0.01 0.02 0.10 -0.05 -0.03 -0.05 0.02 0.00 0.02 0.02 -0.02 0.02 0.01 -0.01 0.01 0.01 0.01 0.00 -0.00 -0.00 -0.02 -0.02 0.02 0.00 0.03 -0.00 0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.13 0.00 0.42 0.01 -0.03 -0.08 0.08 -0.07 -0.20 -0.21 -0.08 -0.05 -0.04 -0.06 -0.02 -0.05 0.03 0.17 0.10 0.00 0.10 -0.02 0.07 0.13 -0.27 0.29 0.14 -0.41 0.33 0.06 0.24 0.04 0.01 -0.01 0.03 0.04 0.02 -0.05 -0.02 -0.05 -0.03 -0.02 -0.06 -0.02 -0.01 -0.02 -0.01 -0.02 -0.04 -0.01 -0.00 0.08 0.01 -0.08 0.04 -0.09 -0.05 -0.03 0.01 0.01 -0.03 0.01 0.00 -0.01 0.01 -0.01 -0.01 0.00 0.00 -0.01 0.04 -0.00 0.01 -0.01 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.05 -0.02 0.02 -0.02 -0.01 -0.01 0.00 0.01 0.01 0.02 0.04 -0.06 -0.01 0.01 0.04 0.05 0.03 -0.01 0.04 -0.05 0.00 0.04 0.00 -0.00 -0.00 -0.01 -0.05 -0.04 -0.02 0.03 -0.09 0.05 0.03 0.05 -0.01 -0.00 0.03 0.03 -0.03 -0.02 -0.00 0.01 0.01 0.01 0.01 0.00 -0.00 0.00 -0.04 -0.04 0.03 0.01 0.04 -0.00 0.01 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.03 -0.16 0.43 0.04 -0.06 -0.16 0.03 -0.02 -0.13 -0.22 -0.08 -0.05 -0.07 -0.10 -0.03 -0.06 0.02 0.21 0.13 0.01 0.14 -0.00 0.09 0.18 0.26 -0.27 -0.13 0.37 -0.29 -0.05 -0.21 -0.05 -0.01 -0.00 -0.03 -0.05 0.03 -0.08 -0.03 0.04 0.03 0.02 0.06 0.02 0.02 -0.02 -0.01 -0.02 -0.05 -0.00 -0.01 0.11 0.01 -0.11 0.06 -0.12 -0.07 -0.03 0.01 0.01 0.03 -0.00 -0.00 0.01 -0.01 0.01 0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.03 0.01 -0.01 0.01 0.01 0.01 -0.00 -0.01 -0.00 -0.02 0.01 0.02 -0.01 0.00 0.01 -0.03 -0.03 0.01 0.00 -0.01 -0.00 -0.02 -0.00 0.00 -0.03 -0.02 -0.12 0.04 0.02 -0.03 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.03 0.02 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.03 0.03 -0.03 -0.00 -0.04 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.05 0.00 -0.21 0.06 -0.02 -0.06 0.02 -0.03 -0.02 0.10 0.05 0.03 0.08 0.12 0.01 -0.05 -0.08 0.52 0.28 -0.05 0.40 0.08 0.28 0.48 -0.01 0.01 0.01 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.08 0.03 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.01 0.03 0.00 0.00 -0.09 -0.01 0.09 -0.05 0.11 0.06 0.02 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 -0.03 0.01 0.03 -0.00 0.00 -0.00 -0.01 -0.01 -0.02 -0.11 -0.01 0.06 -0.06 -0.03 -0.02 0.00 0.02 0.01 0.03 0.02 -0.05 -0.01 0.01 0.01 -0.02 -0.05 -0.00 0.01 -0.01 0.00 0.10 0.02 0.00 0.01 -0.01 0.03 0.10 0.05 -0.08 -0.01 0.00 0.00 0.01 0.00 0.00 -0.06 -0.07 0.05 -0.00 -0.00 -0.00 0.01 0.02 0.01 0.01 -0.01 -0.00 0.07 0.07 -0.06 -0.01 -0.08 0.01 0.03 -0.02 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.03 -0.12 0.42 0.02 -0.01 -0.07 0.01 -0.01 -0.00 -0.15 -0.14 -0.04 0.43 0.43 0.15 -0.03 0.07 -0.10 -0.03 0.05 -0.09 -0.04 -0.07 -0.10 0.01 -0.02 -0.01 0.03 -0.03 -0.00 -0.01 -0.02 -0.01 -0.01 -0.00 -0.02 -0.05 0.20 0.07 0.00 0.02 0.01 0.01 0.00 0.02 -0.06 -0.03 -0.03 -0.10 -0.01 -0.01 -0.20 -0.02 0.20 -0.11 0.23 0.13 -0.05 0.03 0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 0.04 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 -0.10 0.04 -0.01 -0.02 0.02 -0.03 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -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 -0.02 -0.01 0.02 0.06 0.03 0.01 -0.00 0.04 -0.00 0.00 0.00 -0.14 -0.20 -0.07 0.02 0.02 -0.22 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.26 -0.09 -0.04 0.26 -0.37 0.49 0.56 -0.17 -0.08 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.02 0.00 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.03 0.01 -0.01 -0.03 0.05 -0.03 0.00 0.00 -0.00 0.01 0.01 0.01 0.01 -0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.00 0.01 0.01 0.00 -0.01 -0.00 0.01 0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.02 0.24 0.09 0.04 0.13 -0.22 0.05 0.52 -0.35 -0.12 0.13 -0.28 0.58 -0.05 0.07 0.01 0.03 0.01 0.03 -0.07 -0.02 -0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.01 -0.02 -0.01 0.00 0.00 -0.02 0.00 -0.01 -0.00 -0.01 0.02 0.01 -0.00 -0.00 0.02 -0.02 -0.02 -0.02 -0.03 0.00 0.00 0.02 0.01 -0.02 0.01 0.00 -0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 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 0.02 -0.04 -0.06 -0.00 0.00 0.00 -0.01 0.01 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.02 -0.00 -0.00 0.00 -0.01 0.01 0.00 -0.00 0.01 0.01 0.00 -0.00 0.00 -0.01 0.00 0.02 -0.02 -0.01 0.01 -0.01 0.03 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.02 -0.05 0.01 -0.02 0.00 -0.00 -0.14 0.60 0.17 -0.04 -0.06 0.64 0.00 0.00 0.00 0.10 -0.22 -0.08 0.02 0.04 -0.25 0.00 0.01 0.00 -0.00 -0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.05 0.01 -0.00 -0.04 0.06 -0.07 -0.08 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 0.01 0.02 0.01 0.01 0.02 0.01 0.01 -0.01 0.00 -0.00 -0.03 -0.00 -0.03 0.01 -0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.03 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 -0.01 0.01 0.02 -0.05 -0.02 -0.01 -0.04 -0.02 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.03 0.01 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 0.01 -0.02 -0.02 0.39 0.16 0.14 0.18 -0.32 0.22 -0.15 0.10 0.03 -0.05 0.07 -0.17 -0.27 0.35 0.07 0.23 0.27 0.11 -0.18 -0.15 -0.19 0.01 0.02 -0.04 0.04 0.03 0.01 0.02 -0.08 -0.02 0.01 0.01 -0.08 0.00 0.00 0.00 0.06 -0.16 -0.06 0.01 0.03 -0.18 0.06 0.08 0.06 0.11 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.02 0.03 0.02 -0.01 -0.00 -0.00 -0.02 0.02 -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 0.01 0.00 -0.00 -0.02 -0.01 -0.01 -0.02 -0.00 -0.00 -0.01 0.00 0.00 -0.01 -0.00 -0.01 0.00 -0.01 0.01 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.02 -0.03 0.00 0.00 -0.00 0.03 -0.03 -0.06 0.04 0.01 0.01 0.03 0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 -0.01 -0.01 -0.02 -0.00 -0.00 -0.01 0.01 -0.01 0.00 -0.00 -0.03 0.13 0.05 0.06 0.06 -0.10 0.08 -0.07 0.06 0.02 -0.04 0.03 -0.10 -0.13 0.17 0.04 0.11 0.13 0.05 -0.08 -0.07 -0.09 -0.01 -0.04 0.05 -0.05 -0.03 -0.01 -0.05 0.24 0.07 -0.02 -0.03 0.25 0.00 -0.00 -0.00 -0.19 0.50 0.18 -0.03 -0.08 0.57 -0.04 -0.06 -0.04 -0.09 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.02 -0.01 0.04 0.00 0.01 0.05 -0.08 0.09 0.11 -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 0.04 0.00 -0.02 -0.09 -0.03 -0.03 -0.06 -0.02 -0.02 -0.01 -0.00 0.01 0.01 -0.02 -0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.02 0.00 0.02 0.01 -0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 0.00 0.00 -0.00 -0.02 0.02 0.04 0.19 0.07 0.06 0.15 0.06 0.05 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.13 -0.04 -0.03 0.01 0.00 0.00 0.00 -0.00 0.00 0.01 0.03 -0.10 -0.06 -0.01 0.04 -0.04 0.06 -0.02 -0.03 0.07 0.03 -0.05 0.01 -0.09 -0.19 0.24 0.10 0.17 0.23 0.05 -0.07 -0.10 -0.15 0.00 0.03 -0.04 0.03 0.03 0.01 0.02 -0.11 -0.03 0.00 0.01 -0.11 0.00 -0.01 -0.00 0.11 -0.29 -0.10 0.03 0.05 -0.33 -0.21 -0.32 -0.22 -0.37 0.04 0.01 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.06 -0.11 -0.07 -0.01 -0.00 -0.00 -0.02 0.04 -0.05 -0.06 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 -0.02 -0.01 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.05 0.03 -0.02 0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.03 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.04 0.02 0.01 0.03 0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.04 0.43 0.16 0.04 0.23 -0.38 0.23 -0.13 0.09 0.03 -0.05 0.06 -0.16 0.26 -0.32 -0.17 -0.24 -0.34 -0.05 0.06 0.14 0.21 0.00 0.00 -0.01 0.01 0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.01 -0.03 -0.01 0.00 0.01 -0.03 -0.05 -0.07 -0.05 -0.08 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.02 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.02 -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 0.01 0.00 0.01 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.03 -0.01 0.04 0.06 -0.03 -0.00 0.01 0.01 -0.00 0.01 0.00 -0.01 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 0.01 0.02 0.02 -0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.03 0.01 0.01 0.01 -0.02 0.01 -0.01 -0.00 -0.00 -0.00 0.02 -0.01 -0.00 -0.00 0.03 0.01 0.04 -0.02 0.04 -0.01 -0.03 -0.10 -0.35 0.58 -0.44 -0.52 -0.17 -0.03 -0.05 -0.01 0.03 0.02 -0.05 -0.01 0.01 0.00 0.05 -0.04 -0.02 -0.00 0.00 -0.06 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.03 -0.01 0.00 0.07 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -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 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.03 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.05 -0.01 0.01 0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.01 0.01 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.02 -0.01 0.10 0.03 0.01 0.04 -0.09 -0.04 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.09 -0.23 0.36 -0.01 0.42 -0.32 0.65 0.03 -0.24 0.01 0.03 -0.06 0.04 0.05 0.02 0.00 0.01 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.01 0.01 0.00 -0.00 -0.00 0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 -0.01 0.00 0.03 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.04 -0.03 -0.04 -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 0.00 0.00 -0.06 -0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.05 0.22 0.07 0.02 0.02 -0.01 -0.00 0.00 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 0.18 -0.10 -0.19 -0.21 0.15 0.22 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 0.02 0.06 0.02 0.01 0.03 -0.06 -0.02 0.07 0.04 0.02 -0.02 -0.14 0.05 0.03 -0.06 0.09 -0.01 0.09 -0.08 0.15 0.01 -0.05 -0.03 -0.15 0.22 -0.17 -0.21 -0.07 -0.01 -0.01 -0.00 0.01 0.00 -0.01 0.04 -0.07 -0.04 0.02 -0.01 -0.00 -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.12 -0.26 0.10 -0.03 -0.63 -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.02 0.02 0.00 -0.01 0.03 -0.05 -0.04 -0.22 -0.11 -0.09 -0.00 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 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.24 0.00 -0.01 0.26 0.14 0.11 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.30 -0.03 -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 0.01 -0.01 -0.00 0.01 0.01 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 -0.01 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.01 -0.03 -0.01 0.01 0.01 -0.04 -0.03 0.25 0.16 -0.44 0.13 0.07 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.39 0.39 0.25 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.10 -0.01 0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.10 0.43 0.15 0.00 0.00 -0.00 -0.00 0.00 0.00 0.12 -0.34 -0.15 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.16 0.08 0.16 0.11 -0.12 -0.12 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.02 0.00 0.00 0.00 0.00 -0.00 -0.01 0.05 0.07 0.04 -0.06 -0.22 0.03 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 0.02 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.20 0.45 -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 0.21 0.24 -0.19 0.04 0.23 -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 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -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 0.36 -0.19 0.10 -0.30 0.18 -0.12 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 0.01 -0.01 -0.00 -0.00 0.01 0.00 -0.01 0.03 0.01 0.00 -0.00 0.00 -0.00 0.18 -0.02 -0.02 -0.14 -0.01 0.03 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.38 0.03 0.19 -0.07 -0.19 0.39 0.43 -0.02 -0.24 0.01 -0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.19 -0.45 0.04 -0.00 -0.10 0.02 -0.04 -0.05 0.01 0.00 0.00 0.02 -0.02 -0.02 -0.00 0.00 0.01 0.02 0.00 0.03 -0.02 0.01 0.02 -0.02 0.30 0.74 -0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.04 -0.00 -0.01 -0.04 0.02 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.03 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.01 0.01 0.00 -0.00 0.00 -0.00 0.01 -0.14 0.06 0.05 -0.15 -0.02 -0.20 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.01 -0.00 0.01 -0.01 0.00 0.00 0.00 -0.01 -0.01 -0.06 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.01 0.04 0.04 0.07 0.04 0.03 -0.00 -0.01 0.00 0.01 -0.01 -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 0.03 0.02 -0.03 0.00 -0.00 -0.00 0.27 0.28 -0.32 0.00 0.00 0.01 0.00 0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 0.04 -0.03 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.42 -0.45 0.49 -0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.01 0.00 0.01 0.01 -0.03 0.01 0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.08 0.17 -0.03 0.12 -0.01 -0.05 0.02 -0.07 0.00 0.03 0.02 0.01 0.00 0.00 0.01 -0.02 0.03 -0.01 0.00 0.04 -0.03 -0.01 -0.04 -0.07 -0.10 0.11 -0.02 -0.08 0.10 0.07 0.03 -0.01 -0.01 -0.06 -0.00 0.02 -0.00 -0.00 -0.01 -0.00 0.01 0.00 0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.02 -0.00 -0.00 0.00 0.01 -0.02 -0.06 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.02 0.02 0.02 -0.00 0.00 -0.01 -0.00 0.10 -0.27 0.04 -0.17 0.00 -0.00 0.00 0.00 0.04 -0.30 0.70 -0.14 0.53 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 -0.02 -0.01 -0.00 0.01 0.00 0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.03 -0.03 -0.04 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.07 0.03 -0.03 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.62 0.46 0.07 -0.37 0.20 0.23 0.07 -0.35 0.16 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 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 -0.03 -0.06 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 0.00 -0.00 0.00 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 -0.08 -0.06 -0.06 0.00 0.01 -0.03 0.01 -0.24 0.66 -0.13 0.60 0.00 0.00 -0.00 0.00 0.01 -0.11 0.26 -0.04 0.17 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 -0.03 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.05 -0.04 0.03 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 -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 0.02 0.01 0.01 -0.18 0.79 -0.35 -0.35 -0.27 -0.03 -0.00 -0.00 0.01 0.02 -0.02 -0.02 0.04 0.03 0.01 0.04 -0.02 -0.02 0.02 -0.08 0.04 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.03 0.03 -0.03 0.01 -0.04 0.03 0.00 -0.00 0.00 -0.01 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 0.01 -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 -0.33 -0.24 -0.24 -0.00 -0.13 0.55 -0.01 0.12 -0.36 -0.07 0.35 0.01 -0.00 0.00 0.00 0.01 -0.08 0.21 0.09 -0.34 -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 -0.03 -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 0.03 0.03 -0.02 -0.01 0.02 -0.01 0.00 -0.00 -0.00 0.01 -0.06 0.02 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 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 -0.32 -0.23 -0.23 -0.00 -0.11 0.44 -0.00 -0.06 0.17 0.06 -0.24 -0.01 -0.00 0.00 0.00 -0.01 0.14 -0.34 -0.15 0.56 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 -0.03 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 -0.02 -0.01 -0.01 0.01 -0.06 0.03 -0.00 0.00 0.00 0.01 -0.05 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 -0.01 -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 0.19 0.14 0.13 0.00 0.01 -0.07 -0.01 0.14 -0.44 -0.13 0.61 0.02 0.00 -0.00 -0.00 -0.02 0.13 -0.33 -0.11 0.42 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 -0.01 -0.04 0.08 0.01 -0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 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 -0.03 -0.05 0.01 0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.05 0.02 -0.03 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.19 -0.10 -0.06 -0.07 0.28 -0.13 0.49 0.34 0.05 0.00 0.02 -0.06 -0.08 0.06 0.05 -0.30 -0.23 -0.04 -0.36 0.21 0.23 0.07 -0.27 0.12 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -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 -0.01 0.02 0.03 -0.00 -0.02 0.02 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.06 0.00 -0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.43 0.23 0.13 0.03 -0.14 0.06 -0.30 -0.21 -0.03 -0.01 -0.06 0.21 0.21 -0.15 -0.14 -0.30 -0.23 -0.04 -0.41 0.23 0.27 0.02 -0.05 0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 0.01 0.01 -0.01 -0.01 0.00 -0.04 0.04 -0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.30 -0.16 -0.09 -0.01 0.03 -0.02 0.12 0.09 0.02 -0.02 -0.16 0.55 0.50 -0.36 -0.33 0.05 0.04 0.01 0.08 -0.04 -0.05 0.00 -0.02 0.01 0.02 0.01 0.01 -0.00 -0.01 0.03 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.04 -0.02 -0.08 -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 -0.00 -0.00 0.00 -0.01 0.00 -0.02 -0.02 -0.00 0.00 0.01 -0.02 -0.02 0.01 0.01 -0.01 -0.01 -0.00 -0.01 0.01 0.01 -0.00 0.01 -0.00 0.49 0.36 0.33 -0.02 -0.17 0.66 -0.00 -0.06 0.17 0.01 -0.05 -0.00 0.00 -0.00 -0.00 0.01 -0.02 0.04 0.01 -0.03 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 -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 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.05 -0.03 -0.02 -0.03 -0.04 0.00 -0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.03 0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.64 0.34 0.19 -0.04 0.15 -0.07 0.40 0.28 0.04 -0.00 -0.03 0.12 0.07 -0.05 -0.05 0.12 0.10 0.02 0.24 -0.13 -0.16 0.02 -0.13 0.06 0.02 0.02 0.01 -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 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -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 -0.08 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 0.07 0.04 0.02 -0.04 0.18 -0.08 0.17 0.12 0.02 -0.00 -0.01 0.03 0.01 -0.01 -0.01 0.19 0.12 0.03 -0.27 0.14 0.18 -0.16 0.75 -0.36 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 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 -0.04 0.03 -0.03 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 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 0.02 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.02 0.06 0.01 -0.03 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.04 -0.21 0.40 0.49 -0.02 -0.29 -0.04 -0.32 0.59 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 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 0.04 -0.07 0.02 -0.02 0.03 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.01 0.03 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.03 0.06 0.02 -0.06 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.08 -0.41 0.76 -0.15 0.00 0.09 0.02 0.22 -0.40 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.04 -0.01 -0.09 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.01 0.00 -0.04 -0.03 -0.00 -0.02 -0.22 0.74 -0.44 0.33 0.29 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.06 -0.02 0.07 -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 -0.01 -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 0.01 0.07 -0.12 0.70 -0.04 -0.39 0.02 0.28 -0.50 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.02 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.05 -0.06 -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 0.20 -0.17 -0.09 -0.00 0.04 0.03 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.52 0.66 0.46 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 0.00 0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.08 -0.02 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.23 -0.00 -0.23 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.12 0.87 0.20 -0.17 -0.11 0.17 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.06 0.00 0.06 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.03 0.00 -0.01 -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.67 -0.00 -0.66 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.03 -0.27 -0.06 0.13 0.08 -0.12 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 0.01 -0.07 -0.05 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.13 0.10 0.06 -0.08 0.80 0.56 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.07 0.05 0.03 0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.02 0.02 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -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 0.70 -0.56 -0.30 -0.01 0.13 0.09 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.16 -0.19 -0.13 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -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 0.01 -0.03 -0.01 -0.06 -0.03 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 -0.08 -0.00 0.07 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.04 0.30 0.07 0.62 0.39 -0.59 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 8 8 8 8 7 7 7 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 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 45 46 47 48 8 8 8 8 7 7 7 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 1 1 1 1 1 1 15.99491 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 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 345.16886 0.99915 -0.04106 -0.00337 0.04117 0.99818 0.04397 0.00156 -0.04407 0.99903 asymmetric 1 0.01424 0.00864 0.00729 0.29681 0.17997 0.15190 1036656.8 14.84 44.36 48.14 69.26 74.77 90.89 94.71 104.75 116.10 121.01 144.77 159.57 172.81 190.77 238.84 254.37 273.19 309.76 322.28 347.46 360.48 380.23 410.53 433.84 485.10 524.58 554.30 636.67 638.37 687.36 695.27 733.14 813.33 858.75 883.38 913.51 937.47 939.15 958.66 1036.96 1072.82 1078.19 1091.21 1112.52 1121.61 1156.59 1208.20 1216.70 1218.45 1264.53 1271.03 1280.04 1294.95 1303.39 1306.22 1317.70 1328.91 1357.11 1358.33 1385.06 1393.72 1408.44 1468.71 1472.57 1485.85 1493.60 1513.63 1527.67 1551.52 1562.61 1586.24 1600.29 1618.02 1653.14 1666.75 1677.67 1689.50 1731.89 1752.28 1778.43 1788.40 1798.05 1824.33 1834.36 1864.30 1872.06 1894.64 1895.50 1901.42 1929.58 1936.19 1954.45 1985.90 1998.83 2005.18 2020.85 2034.68 2039.51 2045.22 2063.27 2092.16 2125.85 2131.99 2154.44 2155.82 2161.23 2163.81 2175.67 2179.81 2182.15 2230.59 2334.14 2448.86 2512.61 2581.36 4338.29 4352.39 4356.40 4366.79 4382.06 4392.04 4421.40 4429.98 4447.28 4453.44 4457.83 4466.97 4483.54 4485.81 4498.11 4520.45 4612.57 4660.67 4661.25 4686.12 4693.71 4712.56 4715.67 0.394842 0.419409 0.420353 0.337224 -1164.865872 -1164.841304 -1164.840360 -1164.923489 263.183 90.760 174.960 0.000 0.000 0.000 0.889 2.981 43.411 0.889 2.981 34.937 261.406 84.798 96.613 1 0.593 1.987 7.950 2 0.594 1.984 5.775 3 0.594 1.983 5.613 4 0.595 1.978 4.892 5 0.596 1.977 4.741 6 0.597 1.972 4.356 7 0.597 1.971 4.274 8 0.599 1.967 4.076 9 0.600 1.962 3.874 10 0.601 1.960 3.793 11 0.604 1.949 3.442 12 0.607 1.940 3.253 13 0.609 1.932 3.099 14 0.613 1.921 2.908 15 0.624 1.884 2.480 16 0.628 1.871 2.362 17 0.633 1.854 2.229 18 0.645 1.818 1.998 19 0.649 1.805 1.927 20 0.658 1.777 1.792 21 0.663 1.762 1.727 22 0.671 1.738 1.633 23 0.683 1.701 1.501 24 0.694 1.671 1.408 25 0.718 1.601 1.226 26 0.738 1.545 1.102 27 0.754 1.502 1.018 28 0.802 1.377 0.819 29 0.803 1.375 0.815 30 0.834 1.299 0.716 31 0.839 1.287 0.701 32 0.865 1.229 0.635 33 0.921 1.106 0.513 34 0.955 1.038 0.455 35 0.973 1.002 0.426 0.317844e+27 26.502214 61.023602 0.130878e+12 11.116866 25.597530 0.100000e+01 0.000000 0.000000 0.252058e+09 8.401501 19.345172 0.963488e+07 6.983846 16.080901 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1165.2607132 2.713E-9 2.88E-6 0.3948417 0.4194093 -1164.8413039 -1164.8403597 -1164.9234891 -7.8146986,10.9745657,-3.1598671,1.4265122,4.4468221,6.1117525 C01 [X(C18H23N3O4)] -0.9982603 0.2319597 0.6762219 -0.7665317 0.3857784 0.3033697 0.4751433 -1.3455914 -0.3023042 0.3725124 -0.3823292 -0.5090834 -0.3062662 -0.008101 0.1227298 0.009533 -0.5014347 -0.2820881 0.1075491 -0.255511 -0.4052496 -0.7526522 0.0757308 0.3701722 -0.2100554 -0.591708 0.233206 0.3488458 -0.1134328 -0.6820302 -0.830578 -0.0469607 -0.0937673 -0.0978982 -0.3276426 -0.1325914 -0.0538525 0.0050518 -1.2351497 -1.0933601 -0.1262782 0.2906089 0.2286935 -0.4859785 -0.2766997 0.3315256 -0.0451526 -0.8317235 -1.6610602 0.0050651 -0.2268991 0.1428841 -0.068159 -0.0254844 -0.3837426 0.0166865 -0.2430477 -0.7675082 -0.0301938 -0.0356008 -0.0505754 -0.3671149 -0.0294198 -0.1320509 -0.011446 -0.3116516 -0.0112224 -0.0652236 -0.0157864 -0.0588842 0.1656063 0.0857415 -0.0666327 -0.0574291 0.5607329 0.0626526 0.0005505 0.0211555 0.014372 0.0861596 0.0000592 -0.0016066 0.0261945 0.0556166 0.7042571 0.0795712 0.1692976 0.0426378 0.3799109 0.0692466 0.2877392 0.0455522 0.1510822 1.1737078 -0.3685264 -0.6085096 -0.0959372 1.1334855 -0.0173915 -0.6219209 0.4139853 0.77405 2.4327015 0.1089486 -0.145978 -0.1324514 0.2877104 0.3064476 -0.1496609 -0.0235514 1.5763841 0.1111948 0.0135929 0.002337 0.0152826 0.0444492 -0.0072988 -0.0009915 0.0331585 0.0260258 0.050859 0.0462747 -0.1694508 -0.0676635 0.0062649 0.1279017 -0.2668179 0.1411714 0.1415459 0.2808272 -0.0396347 -0.0083385 -0.2396978 0.8758032 0.1138811 -0.0510665 0.0845844 0.2738851 0.0527089 0.0430863 0.0264182 0.0449708 0.1059945 -0.0189642 0.1003938 -0.1197844 0.0696967 -0.0291048 0.0713636 -0.084357 0.0868873 -0.096654 -0.0023481 -0.0854364 -0.0260141 -0.1163121 -0.0209125 0.0913298 0.0350369 0.0404122 0.0925962 -0.0384822 0.0186099 -0.0046568 0.0939858 0.230907 0.0477184 0.1242048 0.1850282 -0.092666 0.0579539 0.4942279 0.0288183 -0.036532 0.8858427 -0.1348483 0.0270995 -0.3202727 0.0988382 -0.0106448 -0.1163088 -0.0095502 0.0166599 -0.1671278 0.0782398 -0.0354337 0.0971394 -0.0027312 0.0423347 -0.0164391 0.0292747 -0.1285266 -0.0471283 0.0013265 -0.0871448 -0.0177886 0.2713023 0.1847451 -0.0984208 0.203677 0.1400944 0.0096153 0.0193947 0.0505895 0.040688 0.1076233 0.1886842 0.0626904 0.2121234 0.0652067 0.1337717 -0.2310114 -0.1225841 -0.2092005 0.1192572 -0.0793726 -0.2100407 -0.0472811 -0.0202805 -0.1832293 0.0054514 -0.1481268 0.0392669 -0.218485 -0.1403826 -0.1412274 -0.1109975 -0.0082711 0.0413718 0.0275601 -0.0684131 0.0379556 0.0123189 0.0033874 -0.0806798 0.0177963 0.0409075 0.0592357 -0.0212178 0.0127196 0.0024797 -0.1304148 0.0523684 0.0024638 0.0521428 -0.0055151 -0.0692611 0.0037314 -0.0255301 -0.0292819 0.066264 -0.0035389 -0.0160271 -0.0054624 0.0175491 0.0266176 -0.0750477 0.0046665 -0.0707833 0.0314272 -0.0115434 -0.0460594 0.0472732 -0.006003 -0.0486046 0.0254228 0.02912 0.0048453 0.00596 -0.0548451 0.0426009 -0.09523 0.0676255 -0.1391475 -0.0556832 -0.0679747 -0.0425694 0.0574876 0.0000648 0.0032428 0.0062541 0.0199175 0.0029563 0.084986 0.0844688 0.0740081 -0.0061226 -0.1055021 0.0545479 -0.0790151 -0.0667953 0.055832 -0.0166949 -0.0030458 -0.0127273 -0.0570553 0.0887297 -0.0200799 0.0352047 0.0580872 -0.0884663 -0.0280446 -0.0438545 0.0470769 -0.0268093 -0.0250032 -0.035076 -0.0429066 0.0078182 0.0542022 -0.010709 -0.003235 0.0293132 -0.0402027 -0.0033281 0.0144991 0.0733698 -0.0688703 0.0116581 0.0080758 0.0228563 -0.01195 0.0394078 0.095567 -0.0037634 0.080368 -0.0880222 0.009523 -0.0071282 -0.0037183 -0.038231 -0.1312696 -0.0543666 -0.0086191 -0.015035 0.0563933 0.0987973 0.0016365 0.0924917 -0.0021607 0.1117742 -0.000855 0.0848402 -0.015222 0.1098471 -0.0022168 0.0034617 0.0195555 -0.0047024 -0.0171457 0.1000327 0.0228875 0.0588826 -0.0983775 0.0078519 0.0106959 -0.0135764 0.0017633 -0.0765331 -0.0539902 0.0355003 -0.0980438 0.035665 0.0787521 0.0743234 0.0065989 0.0728283 0.0963673 -0.0674131 -0.0264629 -0.0608898 0.1185771 0.0721677 -0.0137532 -0.035175 -0.0134023 0.0941647 -0.056809 -0.0265512 -0.0754781 0.1102556 0.1182331 -0.0539576 0.017393 -0.0694974 -0.0042158 -0.0572628 0.0304887 -0.041502 0.1184246 0.0981075 -0.0391889 0.0580307 -0.0479892 0.0835021 -0.0250878 0.0907981 -0.0124613 0.0959787 0.0313732 -0.0382247 -0.0622538 -0.0084081 0.0829601 -0.0575482 -0.0663788 -0.0739962 0.0779269 0.0507155 0.0146894 0.0440874 0.0230012 0.031352 0.0961318 0.0640344 0.0965109 -0.029248 -0.0285787 0.0932512 0.0841596 0.0681583 0.0626719 0.0235847 0.1116243 -0.0045474 0.0386133 0.066516 -0.0108292 0.0895862 0.0277586 0.037275 0.0704978 0.0442918 0.1188458 -0.0278634 272.6629511|-9.6634625|231.3670564|-6.6199929|17.1669643|207.658566 0.000003758 -0.000004187 0.000000812 -0.000000726 -0.000001572 0.000002172 -0.000001532 -0.000003777 0.000002704 0.000002071 0.000003859 0.000000157 -0.000001112 0.000002147 0.000002183 0.000000345 0.000003998 -0.000005099 0.000000855 0.000001318 0.000004708 -0.000000250 -0.000002266 -0.000003015 0.000001392 -0.000002058 0.000009107 0.000003324 0.000003376 -0.000001313 -0.000005854 0.000003225 -0.000015422 -0.000003532 -0.000012033 0.000004455 -0.000000206 -0.000001043 0.000004946 0.000001692 -0.000001701 0.000002907 0.000004257 -0.000000026 0.000002257 -0.000000261 0.000001948 0.000000445 -0.000001569 0.000000764 -0.000002019 -0.000000888 0.000000594 -0.000003225 -0.000001797 -0.000002138 0.000003221 -0.000002721 -0.000003196 -0.000001686 -0.000005356 0.000001948 -0.000003744 0.000001179 0.000000187 0.000003937 0.000002170 -0.000002178 -0.000001266 -0.000002432 0.000003032 0.000004246 0.000004139 -0.000000165 -0.000001126 0.000001981 0.000003758 -0.000000227 0.000001345 0.000000169 0.000000600 0.000001348 0.000000180 0.000002355 -0.000001249 0.000000288 0.000000498 -0.000001114 0.000001458 -0.000002614 0.000000598 0.000000378 -0.000000079 0.000001803 0.000000675 0.000001072 0.000000832 0.000004063 0.000000763 -0.000001163 0.000004128 -0.000000104 -0.000000353 -0.000002395 -0.000000693 0.000001036 0.000002277 -0.000001194 -0.000000724 -0.000001155 -0.000001779 0.000001926 0.000000277 0.000003356 -0.000001199 -0.000000209 -0.000000689 0.000000684 0.000001686 -0.000000833 -0.000000035 0.000001573 -0.000001339 -0.000000724 -0.000001449 -0.000001595 -0.000000852 -0.000000170 0.000000849 -0.000000033 -0.000000741 0.000001231 0.000000520 -0.000000380 0.000000615 -0.000000630 -0.000003080 -0.000006335 -0.000000148 -0.000000759 -0.000001451 -0.000000794 -0.000000627 -0.000002750 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 18-Jan-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(C18H23N3O4)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/pefurazoate/gas/CONF128/opt-b #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read ou 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction pefurazoate CONF128 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 45 46 47 48 16 16 16 16 14 14 14 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 1 1 1 1 1 1 15.9949146 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 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 2 2 2 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 1 1 1 1 1 1 5.6000000 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 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 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2382.1804606606 48 48 48 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 -0.0607365313 0.000000 4.037848 0.000000 2.258071 3.112577 0.000000 3.464905 4.594793 5.023874 0.000000 2.811073 3.411270 3.485339 2.295432 0.000000 3.115962 5.595276 4.812787 2.282029 2.376137 0.000000 4.330123 7.630936 6.265207 4.099436 4.555261 2.224387 0.000000 2.356012 3.533786 2.450368 3.556965 1.483775 2.905495 4.724465 0.000000 3.712354 3.577924 2.861835 4.797810 2.511174 4.231860 6.025530 1.530845 0.000000 3.660331 2.437068 3.841490 2.702416 1.481943 3.702417 5.909357 2.524968 2.993837 0.000000 1.341410 3.260313 1.204443 3.961620 2.490119 3.610313 5.132578 1.543395 2.553231 3.179165 0.000000 2.854096 4.386212 4.303684 1.213707 1.377271 1.425855 3.575917 2.494205 3.782249 2.402535 3.160789 0.000000 4.325690 4.762890 3.186567 6.063748 3.845214 5.068726 6.465570 2.542319 1.532202 4.504407 3.171962 4.956553 0.000000 3.436273 1.370828 3.356334 3.259161 2.500069 4.528419 6.594445 3.103528 3.627048 1.492418 3.010888 3.213117 4.991804 0.000000 1.451303 4.591833 2.728503 4.421124 4.161322 4.346468 5.180820 3.729494 4.942987 4.766900 2.394058 4.091649 5.406465 4.148954 0.000000 2.387156 5.897314 4.179637 4.590928 4.927671 4.381873 4.623772 4.706960 6.086480 5.691295 3.639808 4.434575 6.534649 5.225254 1.517359 0.000000 3.440279 2.235353 3.790553 3.287361 3.344280 4.856707 6.702297 3.964509 4.769848 2.624057 3.465555 3.589036 6.026084 1.362145 3.732753 4.633832 0.000000 2.960967 6.913975 4.728001 5.247798 5.390051 4.340998 3.947293 4.960284 6.312933 6.445343 4.115326 4.854317 6.491293 6.254001 2.548117 1.539676 5.893035 0.000000 3.948123 6.351953 5.296494 3.545476 3.014562 1.392051 2.262432 3.160405 4.167048 4.428142 4.164790 2.556794 4.718797 5.448163 5.250852 5.345450 5.996270 4.980135 0.000000 3.465325 6.550078 5.516107 2.856342 3.607419 1.377695 1.305779 4.019114 5.441277 4.844900 4.344013 2.467119 6.133908 5.436256 4.354941 3.910824 5.460949 3.672920 2.217898 0.000000 4.066731 2.232866 3.825534 4.693235 4.482868 6.085093 7.839400 4.762446 5.349474 3.721136 3.939410 4.896978 6.430486 2.239269 3.972615 5.046718 1.432943 6.399994 7.165986 6.641911 0.000000 4.360667 1.360405 3.415596 5.275042 4.462728 6.412661 8.297724 4.506648 4.706337 3.591369 3.800237 5.229260 5.713511 2.198884 4.476643 5.781563 2.234408 6.976210 7.300726 7.174671 1.360043 0.000000 4.572756 7.526371 6.144665 4.407632 4.266409 2.192930 1.383996 4.288626 5.348659 5.695738 5.033945 3.596998 5.671502 6.598358 5.671048 5.438864 6.980222 4.745912 1.365705 2.142500 8.123566 8.368441 0.000000 4.286590 8.195759 6.201670 5.872444 6.440654 4.966820 3.973324 6.206039 7.618535 7.522001 5.513306 5.652619 7.832203 7.401829 3.881338 2.529111 6.927731 1.501262 5.589965 3.932896 7.520854 8.241886 5.048047 0.000000 5.455945 9.352024 7.195207 7.195892 7.732804 6.254746 5.062889 7.403250 8.760961 8.812495 6.629950 6.979118 8.836465 8.629401 4.874379 3.544367 8.106858 2.515144 6.776724 5.192317 8.581366 9.306435 6.108251 1.330990 0.000000 2.541591 4.612658 3.072196 3.825874 2.084914 2.471290 3.948927 1.089317 2.142081 3.416624 2.104645 2.642451 2.642221 4.103345 3.932635 4.656854 4.837116 4.572402 2.377235 3.495708 5.687877 5.529126 3.374351 5.728397 6.892768 0.000000 4.481122 4.092895 3.916972 4.835859 2.599962 4.272979 6.129219 2.135724 1.094574 3.008939 3.468322 3.837390 2.164013 4.003730 5.808665 6.842503 5.243240 7.028964 4.040636 5.592419 5.978368 5.355555 5.306648 8.237000 9.422128 2.563384 0.000000 3.979765 2.754791 2.682183 5.079296 2.890842 4.953377 6.862725 2.158328 1.092060 2.847292 2.715739 4.240139 2.158822 3.153185 5.034099 6.329839 4.352878 6.774614 5.096621 6.140779 4.722278 3.883244 6.304625 8.137743 9.275738 3.035406 1.767102 0.000000 4.364651 3.229329 4.863741 2.370543 2.075133 3.823128 6.003400 3.413621 3.952208 1.087929 4.117903 2.470615 5.468409 2.127959 5.429835 6.157292 2.928321 6.941335 4.630855 4.895003 4.179932 4.262351 5.863823 7.862827 9.179783 4.150219 3.769154 3.875802 0.000000 4.378115 2.487835 4.073228 3.706837 2.094995 4.407735 6.613297 2.754773 2.621738 1.089121 3.607091 3.261155 4.136294 2.115701 5.520874 6.567599 3.433535 7.240318 4.865098 5.661114 4.286783 3.817592 6.200911 8.387963 9.661692 3.676699 2.436639 2.325720 1.763274 0.000000 4.525508 5.628252 3.852648 6.161438 4.066086 4.788542 5.908668 2.803238 2.182506 4.996600 3.597932 4.977881 1.094810 5.655383 5.673632 6.605229 6.637613 6.324070 4.175966 5.784135 7.182525 6.598205 4.983088 7.559234 8.531731 2.460214 2.521958 3.076666 5.863752 4.724792 0.000000 5.357437 5.186277 3.986926 6.929066 4.651865 6.031597 7.468081 3.488201 2.170081 5.100086 4.139128 5.851011 1.092465 5.600649 6.397700 7.583927 6.729470 7.566490 5.610066 7.154457 7.043355 6.164251 6.590289 8.916398 9.902024 3.668863 2.498580 2.494451 6.043963 4.523822 1.766598 0.000000 4.025740 4.732156 2.580227 6.347687 4.251314 5.402916 6.668831 2.815818 2.175615 4.891005 2.873725 5.289380 1.091051 5.077260 4.873712 6.070330 5.948213 6.041571 5.206184 6.315435 6.164536 5.458535 6.038576 7.452847 8.372783 2.949227 3.075057 2.508627 5.923199 4.658281 1.773679 1.764981 0.000000 2.065165 4.042371 2.873486 4.434977 4.314229 4.880982 5.963943 4.090686 5.201331 4.576762 2.736891 4.320210 5.844470 3.660458 1.092602 2.182382 2.999298 3.508853 5.915290 4.984994 3.020379 3.685467 6.470664 4.704181 5.672322 4.536987 6.054558 5.077959 5.197163 5.353483 6.271406 6.759150 5.328082 0.000000 2.078136 4.951934 2.529370 5.392637 4.792586 5.070065 5.779717 4.045297 5.045206 5.418354 2.589427 4.918788 5.218795 4.778216 1.092709 2.179931 4.500112 2.782295 5.775414 5.121856 4.497778 4.773986 6.149561 4.209888 5.007461 4.194889 6.017813 5.114590 6.204396 6.027471 5.507865 6.163786 4.501207 1.773532 0.000000 2.593345 5.851506 4.644162 3.825024 4.632696 3.922719 4.241836 4.745831 6.214486 5.342753 3.914364 3.897932 6.873562 4.965334 2.139845 1.095459 4.284292 2.177332 5.061747 3.351388 4.929468 5.810755 5.183590 2.742836 3.899962 4.731243 6.840661 6.469638 5.629119 6.316477 6.929462 7.927136 6.560047 2.512376 3.068365 0.000000 3.330837 6.462247 4.826447 5.459970 5.905147 5.447674 5.588493 5.685042 7.005895 6.532212 4.487020 5.430375 7.418693 5.881979 2.131296 1.095003 5.111513 2.168000 6.434352 4.907047 5.295975 6.126398 6.478635 2.804059 3.488379 5.699560 7.811712 7.151572 6.983809 7.416049 7.547494 8.440095 6.859386 2.465943 2.545938 1.757015 0.000000 3.527220 3.270244 4.451164 2.716726 3.506044 4.534581 6.229674 4.335442 5.367206 3.016115 3.907897 3.323677 6.635903 2.168385 3.772231 4.327887 1.077945 5.608589 5.806871 4.941699 2.267194 3.285101 6.675420 6.454081 7.649703 5.048387 5.764616 5.123458 3.027153 3.994842 7.113492 7.422881 6.594496 3.113174 4.710012 3.751809 4.797174 0.000000 3.398995 7.234208 4.711936 6.153778 5.997415 5.163533 4.783227 5.325835 6.525060 7.034390 4.337753 5.658890 6.477327 6.760547 2.801928 2.163667 6.450114 1.095920 5.649104 4.627587 6.768924 7.222542 5.415977 2.140867 2.649729 4.935053 7.337406 6.955192 7.647912 7.738420 6.324696 7.510959 5.879937 3.787965 2.593930 3.073762 2.486660 6.308352 0.000000 2.581907 6.616338 4.414025 4.736497 4.668319 3.462643 3.092211 4.197848 5.550651 5.874630 3.629840 4.155757 5.716551 5.914494 2.743690 2.156250 5.772470 1.095295 3.945949 2.911119 6.439386 6.889938 3.722762 2.126984 3.239210 3.656254 6.184575 6.140855 6.379106 6.609594 5.443562 6.802861 5.396258 3.772150 3.026871 2.539940 3.061364 5.530272 1.764099 0.000000 4.384512 6.181224 5.311217 3.960056 2.908245 2.163654 3.320759 2.977369 3.616592 4.222605 4.271087 2.888657 4.162599 5.405133 5.783803 6.107251 6.175056 5.814538 1.076177 3.242618 7.314007 7.265262 2.239105 6.556030 7.735296 2.278370 3.275259 4.597787 4.476261 4.424543 3.603885 4.925007 4.839046 6.383021 6.230573 5.880627 7.201942 6.134335 6.388844 4.768082 0.000000 3.475285 6.533122 5.675394 2.701818 3.973104 2.141493 2.136547 4.507866 6.003459 5.003108 4.555370 2.727378 6.790572 5.357759 4.080329 3.417543 5.117720 3.456248 3.242150 1.077728 6.270255 6.988193 3.197605 3.563818 4.841520 4.176851 6.239398 6.563116 4.977993 5.944763 6.563774 7.828753 6.870317 4.583239 4.973227 2.638108 4.300757 4.444126 4.515727 2.991029 4.217513 0.000000 4.645910 3.271903 4.521346 5.384971 5.434194 6.821663 8.412363 5.685678 6.344310 4.747888 4.704967 5.698799 7.344212 3.286584 4.226004 5.146471 2.258053 6.600164 7.968923 7.212832 1.078512 2.178914 8.829900 7.632197 8.594896 6.547947 7.018912 5.730047 5.129171 5.357563 8.082510 7.977740 6.981066 3.158154 4.716274 5.055118 5.172162 2.761447 6.931235 6.811049 8.207704 6.713556 0.000000 5.120558 2.072764 3.780837 6.325602 5.340430 7.341450 9.198469 5.192839 5.160709 4.485696 4.430095 6.207337 5.982762 3.193340 5.128234 6.503706 3.303249 7.661273 8.146258 8.121843 2.242567 1.076603 9.215881 8.981202 9.978438 6.210342 5.856425 4.226298 5.207716 4.528394 6.952563 6.296339 5.635526 4.353508 5.228539 6.657410 6.767945 4.339331 7.779733 7.611758 8.051203 7.967683 2.742048 0.000000 5.478396 8.437050 6.902928 5.462863 5.184645 3.248821 2.153111 5.068325 5.956451 6.621065 5.856435 4.627974 6.068245 7.573892 6.545202 6.289878 8.014777 5.414245 2.199247 3.165415 9.130716 9.312296 1.078781 5.617529 6.531270 4.070960 5.857230 6.977199 6.809567 7.029257 5.232807 6.913902 6.467741 7.405508 6.916343 6.118696 7.302567 7.742752 5.967782 4.393416 2.757099 4.184490 9.847860 10.119599 0.000000 4.480449 8.270689 6.592860 5.366734 6.255458 4.548223 3.407037 6.255773 7.732859 7.331698 5.755730 5.279607 8.103585 7.328790 4.288418 2.912051 6.841595 2.203826 5.248686 3.342426 7.600790 8.398008 4.653193 1.088741 2.090126 5.772843 8.234279 8.284703 7.528932 8.249537 7.801214 9.195432 7.855469 5.019813 4.832487 2.696731 3.309320 6.234814 3.087774 2.499981 6.279631 2.851947 7.749751 9.227727 5.275414 0.000000 6.387040 10.260482 8.219931 7.775067 8.516710 6.865439 5.450237 8.293639 9.685286 9.601347 7.599439 7.648598 9.799136 9.462881 5.844928 4.438600 8.893830 3.502497 7.375572 5.679526 9.423850 10.219373 6.583298 2.112712 1.084236 7.751314 10.290167 10.228630 9.882384 10.485242 9.447476 10.870684 9.383438 6.589930 6.051483 4.617487 4.331803 8.345260 3.729593 4.138906 8.380426 5.277975 9.403964 10.927632 6.942537 2.431158 0.000000 5.686250 9.531938 7.154715 7.859596 8.158124 6.877649 5.814381 7.653860 8.916382 9.220153 6.752102 7.556010 8.844731 8.949151 4.965999 3.818106 8.449777 2.779320 7.335135 5.944471 8.773779 9.415070 6.722931 2.112629 1.086522 7.163050 9.661793 9.391850 9.691766 10.012580 8.571293 9.876546 8.269610 5.779333 4.865569 4.422978 3.626689 8.106808 2.462866 3.577595 8.224393 5.663522 8.751767 9.988758 7.098686 3.069862 1.848928 0.000000 C18H23N3O4 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2968098 0.1799673 0.1519048 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= 688 RedAO= T EigKep= 2.37D-06 NBF= 688 NBsUse= 688 1.00D-06 EigRej= -1.00D+00 NBFU= 688 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= 708 707 707 708 708 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1165.26071323114 -1165.26071323 1 1.160504482386e+03 -7.480984347466e+03 2.773099427720e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323590392 LenY= 11323081310 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. PT403.900S Tue Jan 18 01:24:51 2022 GINC-ESTREMERA PAULAPLA 18-Jan-2022 0 Wavefunction pefurazoate CONF128 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1165.2607132 RMSD=5.882e-09 Dipole=-0.9982601,0.2319604,0.6762178 Quadrupole=-7.814711,10.9745569,-3.1598459,1.4265173,4.4468229,6.1117527 PG=C01 [X(C18H23N3O4)] 0 -0.0591176689 -0.9090544399 0.3912406931 0 -3.7858046629 0.5739436132 -0.0743101077 0 -1.7330724402 -0.6948660118 1.8915352468 0 0.1410441007 1.1475278211 -2.3901212236 0 -0.5960645395 1.7610716395 -0.3046370801 0 1.708378244 1.3897398312 -0.7492512889 0 3.822820942 0.7074585551 -0.6419121873 0 -0.5302341836 1.2878410937 1.1001080324 0 -1.3725634723 2.1395594635 2.053284002 0 -1.9479580985 1.957401932 -0.8790866302 0 -0.88389058 -0.211974737 1.1869855186 0 0.3643874395 1.4047370912 -1.225198064 0 -0.971443994 1.9372918515 3.518150927 0 -2.7631145159 0.7110927749 -0.976786495 0 -0.2587823408 -2.3432214968 0.2933737716 0 0.9573916766 -2.9140980727 -0.4118924148 0 -2.6917213611 -0.3983980205 -1.763788283 0 2.2526319196 -2.7591688566 0.4060019141 0 2.3455889623 2.2146622646 0.1733929447 0 2.664409483 0.5123244284 -1.2120566759 0 -3.7303894656 -1.2793837051 -1.318414536 0 -4.3572285677 -0.6409022807 -0.2941431959 0 3.6381891706 1.7760882469 0.2179637892 0 3.4646127901 -3.2380999129 -0.3393258956 0 4.1940054914 -4.3024475938 -0.0126993498 0 0.5116294668 1.3472521203 1.4125210191 0 -1.2351603455 3.1885013107 1.7723328615 0 -2.4293423521 1.8951317575 1.9265263796 0 -1.8078675969 2.391450495 -1.8667935741 0 -2.4774649543 2.6816629141 -0.2616294594 0 0.0799706321 2.1952168772 3.6812821813 0 -1.5751101834 2.5730745578 4.1699538985 0 -1.1249836677 0.9016481411 3.825169748 0 -1.1827313619 -2.5128951533 -0.2645758072 0 -0.3820695006 -2.7497911105 1.3001085959 0 1.0632304549 -2.4266138908 -1.3871814242 0 0.772685761 -3.9751564444 -0.6095569057 0 -1.9716656515 -0.5528224915 -2.550959227 0 2.1507777626 -3.3072061627 1.3495705681 0 2.3837606481 -1.7012723397 0.6576595705 0 1.8377849966 3.0354405139 0.6494342137 0 2.4200339747 -0.2350476445 -1.9490863027 0 -3.9785748776 -2.2531038678 -1.7101564748 0 -5.1795070599 -0.9003124219 0.3505579283 0 4.4516246312 2.1722525469 0.8054550447 0 3.7449286477 -2.6506316163 -1.2120577926 0 5.0590862401 -4.6005049237 -0.5943899112 0 3.9556077196 -4.9088967622 0.8567349783 Gaussian 16 18-Jan-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(C18H23N3O4)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=checkguess=read td=(singlets,nstates=10) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/pefurazoate/gas/CONF128/opt-b #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=9,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6/2 8/6=1,10=2,108=10/1 9/41=10,42=1,48=1,70=2/14 6/7=2,8=2,9=2,10=2/1 99/5=1,9=1/99 Electronic spectrum pefurazoate CONF128 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 45 46 47 48 16 16 16 16 14 14 14 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 1 1 1 1 1 1 15.9949146 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 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 2 2 2 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 1 1 1 1 1 1 5.6000000 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 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 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2382.1804606606 48 48 48 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 -0.0607365313 0.000000 4.037848 0.000000 2.258071 3.112577 0.000000 3.464905 4.594793 5.023874 0.000000 2.811073 3.411270 3.485339 2.295432 0.000000 3.115962 5.595276 4.812787 2.282029 2.376137 0.000000 4.330123 7.630936 6.265207 4.099436 4.555261 2.224387 0.000000 2.356012 3.533786 2.450368 3.556965 1.483775 2.905495 4.724465 0.000000 3.712354 3.577924 2.861835 4.797810 2.511174 4.231860 6.025530 1.530845 0.000000 3.660331 2.437068 3.841490 2.702416 1.481943 3.702417 5.909357 2.524968 2.993837 0.000000 1.341410 3.260313 1.204443 3.961620 2.490119 3.610313 5.132578 1.543395 2.553231 3.179165 0.000000 2.854096 4.386212 4.303684 1.213707 1.377271 1.425855 3.575917 2.494205 3.782249 2.402535 3.160789 0.000000 4.325690 4.762890 3.186567 6.063748 3.845214 5.068726 6.465570 2.542319 1.532202 4.504407 3.171962 4.956553 0.000000 3.436273 1.370828 3.356334 3.259161 2.500069 4.528419 6.594445 3.103528 3.627048 1.492418 3.010888 3.213117 4.991804 0.000000 1.451303 4.591833 2.728503 4.421124 4.161322 4.346468 5.180820 3.729494 4.942987 4.766900 2.394058 4.091649 5.406465 4.148954 0.000000 2.387156 5.897314 4.179637 4.590928 4.927671 4.381873 4.623772 4.706960 6.086480 5.691295 3.639808 4.434575 6.534649 5.225254 1.517359 0.000000 3.440279 2.235353 3.790553 3.287361 3.344280 4.856707 6.702297 3.964509 4.769848 2.624057 3.465555 3.589036 6.026084 1.362145 3.732753 4.633832 0.000000 2.960967 6.913975 4.728001 5.247798 5.390051 4.340998 3.947293 4.960284 6.312933 6.445343 4.115326 4.854317 6.491293 6.254001 2.548117 1.539676 5.893035 0.000000 3.948123 6.351953 5.296494 3.545476 3.014562 1.392051 2.262432 3.160405 4.167048 4.428142 4.164790 2.556794 4.718797 5.448163 5.250852 5.345450 5.996270 4.980135 0.000000 3.465325 6.550078 5.516107 2.856342 3.607419 1.377695 1.305779 4.019114 5.441277 4.844900 4.344013 2.467119 6.133908 5.436256 4.354941 3.910824 5.460949 3.672920 2.217898 0.000000 4.066731 2.232866 3.825534 4.693235 4.482868 6.085093 7.839400 4.762446 5.349474 3.721136 3.939410 4.896978 6.430486 2.239269 3.972615 5.046718 1.432943 6.399994 7.165986 6.641911 0.000000 4.360667 1.360405 3.415596 5.275042 4.462728 6.412661 8.297724 4.506648 4.706337 3.591369 3.800237 5.229260 5.713511 2.198884 4.476643 5.781563 2.234408 6.976210 7.300726 7.174671 1.360043 0.000000 4.572756 7.526371 6.144665 4.407632 4.266409 2.192930 1.383996 4.288626 5.348659 5.695738 5.033945 3.596998 5.671502 6.598358 5.671048 5.438864 6.980222 4.745912 1.365705 2.142500 8.123566 8.368441 0.000000 4.286590 8.195759 6.201670 5.872444 6.440654 4.966820 3.973324 6.206039 7.618535 7.522001 5.513306 5.652619 7.832203 7.401829 3.881338 2.529111 6.927731 1.501262 5.589965 3.932896 7.520854 8.241886 5.048047 0.000000 5.455945 9.352024 7.195207 7.195892 7.732804 6.254746 5.062889 7.403250 8.760961 8.812495 6.629950 6.979118 8.836465 8.629401 4.874379 3.544367 8.106858 2.515144 6.776724 5.192317 8.581366 9.306435 6.108251 1.330990 0.000000 2.541591 4.612658 3.072196 3.825874 2.084914 2.471290 3.948927 1.089317 2.142081 3.416624 2.104645 2.642451 2.642221 4.103345 3.932635 4.656854 4.837116 4.572402 2.377235 3.495708 5.687877 5.529126 3.374351 5.728397 6.892768 0.000000 4.481122 4.092895 3.916972 4.835859 2.599962 4.272979 6.129219 2.135724 1.094574 3.008939 3.468322 3.837390 2.164013 4.003730 5.808665 6.842503 5.243240 7.028964 4.040636 5.592419 5.978368 5.355555 5.306648 8.237000 9.422128 2.563384 0.000000 3.979765 2.754791 2.682183 5.079296 2.890842 4.953377 6.862725 2.158328 1.092060 2.847292 2.715739 4.240139 2.158822 3.153185 5.034099 6.329839 4.352878 6.774614 5.096621 6.140779 4.722278 3.883244 6.304625 8.137743 9.275738 3.035406 1.767102 0.000000 4.364651 3.229329 4.863741 2.370543 2.075133 3.823128 6.003400 3.413621 3.952208 1.087929 4.117903 2.470615 5.468409 2.127959 5.429835 6.157292 2.928321 6.941335 4.630855 4.895003 4.179932 4.262351 5.863823 7.862827 9.179783 4.150219 3.769154 3.875802 0.000000 4.378115 2.487835 4.073228 3.706837 2.094995 4.407735 6.613297 2.754773 2.621738 1.089121 3.607091 3.261155 4.136294 2.115701 5.520874 6.567599 3.433535 7.240318 4.865098 5.661114 4.286783 3.817592 6.200911 8.387963 9.661692 3.676699 2.436639 2.325720 1.763274 0.000000 4.525508 5.628252 3.852648 6.161438 4.066086 4.788542 5.908668 2.803238 2.182506 4.996600 3.597932 4.977881 1.094810 5.655383 5.673632 6.605229 6.637613 6.324070 4.175966 5.784135 7.182525 6.598205 4.983088 7.559234 8.531731 2.460214 2.521958 3.076666 5.863752 4.724792 0.000000 5.357437 5.186277 3.986926 6.929066 4.651865 6.031597 7.468081 3.488201 2.170081 5.100086 4.139128 5.851011 1.092465 5.600649 6.397700 7.583927 6.729470 7.566490 5.610066 7.154457 7.043355 6.164251 6.590289 8.916398 9.902024 3.668863 2.498580 2.494451 6.043963 4.523822 1.766598 0.000000 4.025740 4.732156 2.580227 6.347687 4.251314 5.402916 6.668831 2.815818 2.175615 4.891005 2.873725 5.289380 1.091051 5.077260 4.873712 6.070330 5.948213 6.041571 5.206184 6.315435 6.164536 5.458535 6.038576 7.452847 8.372783 2.949227 3.075057 2.508627 5.923199 4.658281 1.773679 1.764981 0.000000 2.065165 4.042371 2.873486 4.434977 4.314229 4.880982 5.963943 4.090686 5.201331 4.576762 2.736891 4.320210 5.844470 3.660458 1.092602 2.182382 2.999298 3.508853 5.915290 4.984994 3.020379 3.685467 6.470664 4.704181 5.672322 4.536987 6.054558 5.077959 5.197163 5.353483 6.271406 6.759150 5.328082 0.000000 2.078136 4.951934 2.529370 5.392637 4.792586 5.070065 5.779717 4.045297 5.045206 5.418354 2.589427 4.918788 5.218795 4.778216 1.092709 2.179931 4.500112 2.782295 5.775414 5.121856 4.497778 4.773986 6.149561 4.209888 5.007461 4.194889 6.017813 5.114590 6.204396 6.027471 5.507865 6.163786 4.501207 1.773532 0.000000 2.593345 5.851506 4.644162 3.825024 4.632696 3.922719 4.241836 4.745831 6.214486 5.342753 3.914364 3.897932 6.873562 4.965334 2.139845 1.095459 4.284292 2.177332 5.061747 3.351388 4.929468 5.810755 5.183590 2.742836 3.899962 4.731243 6.840661 6.469638 5.629119 6.316477 6.929462 7.927136 6.560047 2.512376 3.068365 0.000000 3.330837 6.462247 4.826447 5.459970 5.905147 5.447674 5.588493 5.685042 7.005895 6.532212 4.487020 5.430375 7.418693 5.881979 2.131296 1.095003 5.111513 2.168000 6.434352 4.907047 5.295975 6.126398 6.478635 2.804059 3.488379 5.699560 7.811712 7.151572 6.983809 7.416049 7.547494 8.440095 6.859386 2.465943 2.545938 1.757015 0.000000 3.527220 3.270244 4.451164 2.716726 3.506044 4.534581 6.229674 4.335442 5.367206 3.016115 3.907897 3.323677 6.635903 2.168385 3.772231 4.327887 1.077945 5.608589 5.806871 4.941699 2.267194 3.285101 6.675420 6.454081 7.649703 5.048387 5.764616 5.123458 3.027153 3.994842 7.113492 7.422881 6.594496 3.113174 4.710012 3.751809 4.797174 0.000000 3.398995 7.234208 4.711936 6.153778 5.997415 5.163533 4.783227 5.325835 6.525060 7.034390 4.337753 5.658890 6.477327 6.760547 2.801928 2.163667 6.450114 1.095920 5.649104 4.627587 6.768924 7.222542 5.415977 2.140867 2.649729 4.935053 7.337406 6.955192 7.647912 7.738420 6.324696 7.510959 5.879937 3.787965 2.593930 3.073762 2.486660 6.308352 0.000000 2.581907 6.616338 4.414025 4.736497 4.668319 3.462643 3.092211 4.197848 5.550651 5.874630 3.629840 4.155757 5.716551 5.914494 2.743690 2.156250 5.772470 1.095295 3.945949 2.911119 6.439386 6.889938 3.722762 2.126984 3.239210 3.656254 6.184575 6.140855 6.379106 6.609594 5.443562 6.802861 5.396258 3.772150 3.026871 2.539940 3.061364 5.530272 1.764099 0.000000 4.384512 6.181224 5.311217 3.960056 2.908245 2.163654 3.320759 2.977369 3.616592 4.222605 4.271087 2.888657 4.162599 5.405133 5.783803 6.107251 6.175056 5.814538 1.076177 3.242618 7.314007 7.265262 2.239105 6.556030 7.735296 2.278370 3.275259 4.597787 4.476261 4.424543 3.603885 4.925007 4.839046 6.383021 6.230573 5.880627 7.201942 6.134335 6.388844 4.768082 0.000000 3.475285 6.533122 5.675394 2.701818 3.973104 2.141493 2.136547 4.507866 6.003459 5.003108 4.555370 2.727378 6.790572 5.357759 4.080329 3.417543 5.117720 3.456248 3.242150 1.077728 6.270255 6.988193 3.197605 3.563818 4.841520 4.176851 6.239398 6.563116 4.977993 5.944763 6.563774 7.828753 6.870317 4.583239 4.973227 2.638108 4.300757 4.444126 4.515727 2.991029 4.217513 0.000000 4.645910 3.271903 4.521346 5.384971 5.434194 6.821663 8.412363 5.685678 6.344310 4.747888 4.704967 5.698799 7.344212 3.286584 4.226004 5.146471 2.258053 6.600164 7.968923 7.212832 1.078512 2.178914 8.829900 7.632197 8.594896 6.547947 7.018912 5.730047 5.129171 5.357563 8.082510 7.977740 6.981066 3.158154 4.716274 5.055118 5.172162 2.761447 6.931235 6.811049 8.207704 6.713556 0.000000 5.120558 2.072764 3.780837 6.325602 5.340430 7.341450 9.198469 5.192839 5.160709 4.485696 4.430095 6.207337 5.982762 3.193340 5.128234 6.503706 3.303249 7.661273 8.146258 8.121843 2.242567 1.076603 9.215881 8.981202 9.978438 6.210342 5.856425 4.226298 5.207716 4.528394 6.952563 6.296339 5.635526 4.353508 5.228539 6.657410 6.767945 4.339331 7.779733 7.611758 8.051203 7.967683 2.742048 0.000000 5.478396 8.437050 6.902928 5.462863 5.184645 3.248821 2.153111 5.068325 5.956451 6.621065 5.856435 4.627974 6.068245 7.573892 6.545202 6.289878 8.014777 5.414245 2.199247 3.165415 9.130716 9.312296 1.078781 5.617529 6.531270 4.070960 5.857230 6.977199 6.809567 7.029257 5.232807 6.913902 6.467741 7.405508 6.916343 6.118696 7.302567 7.742752 5.967782 4.393416 2.757099 4.184490 9.847860 10.119599 0.000000 4.480449 8.270689 6.592860 5.366734 6.255458 4.548223 3.407037 6.255773 7.732859 7.331698 5.755730 5.279607 8.103585 7.328790 4.288418 2.912051 6.841595 2.203826 5.248686 3.342426 7.600790 8.398008 4.653193 1.088741 2.090126 5.772843 8.234279 8.284703 7.528932 8.249537 7.801214 9.195432 7.855469 5.019813 4.832487 2.696731 3.309320 6.234814 3.087774 2.499981 6.279631 2.851947 7.749751 9.227727 5.275414 0.000000 6.387040 10.260482 8.219931 7.775067 8.516710 6.865439 5.450237 8.293639 9.685286 9.601347 7.599439 7.648598 9.799136 9.462881 5.844928 4.438600 8.893830 3.502497 7.375572 5.679526 9.423850 10.219373 6.583298 2.112712 1.084236 7.751314 10.290167 10.228630 9.882384 10.485242 9.447476 10.870684 9.383438 6.589930 6.051483 4.617487 4.331803 8.345260 3.729593 4.138906 8.380426 5.277975 9.403964 10.927632 6.942537 2.431158 0.000000 5.686250 9.531938 7.154715 7.859596 8.158124 6.877649 5.814381 7.653860 8.916382 9.220153 6.752102 7.556010 8.844731 8.949151 4.965999 3.818106 8.449777 2.779320 7.335135 5.944471 8.773779 9.415070 6.722931 2.112629 1.086522 7.163050 9.661793 9.391850 9.691766 10.012580 8.571293 9.876546 8.269610 5.779333 4.865569 4.422978 3.626689 8.106808 2.462866 3.577595 8.224393 5.663522 8.751767 9.988758 7.098686 3.069862 1.848928 0.000000 C18H23N3O4 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2968098 0.1799673 0.1519048 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= 688 RedAO= T EigKep= 2.37D-06 NBF= 688 NBsUse= 688 1.00D-06 EigRej= -1.00D+00 NBFU= 688 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= 708 707 707 708 708 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1165.26071323114 -1165.26071323 1 1.160504482386e+03 -7.480984347466e+03 2.773099427720e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323590392 LenY= 11323081310 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 4.6300 267.79 0.0312 0.000 92 93 0.69982 -1165.09056546 2 Singlet-A 4.9119 252.42 0.0254 0.000 89 93 -0.15201 91 93 0.67147 3 Singlet-A 5.1775 239.47 0.0534 0.000 89 93 0.58192 89 94 -0.16923 89 96 0.13964 91 93 0.17582 92 94 -0.16468 4 Singlet-A 5.3434 232.03 0.0031 0.000 88 93 -0.11369 90 93 0.69060 5 Singlet-A 5.4018 229.52 0.0364 0.000 88 93 0.18328 89 93 0.16205 90 93 0.10094 92 94 0.55545 92 95 0.13726 92 96 -0.26999 6 Singlet-A 5.4436 227.76 0.0065 0.000 84 93 0.10419 85 93 -0.23430 86 93 -0.28423 87 93 0.10617 88 93 0.44656 89 94 -0.11733 91 94 0.11473 92 94 -0.18660 92 96 0.10041 7 Singlet-A 5.5773 222.30 0.0175 0.000 85 93 0.16378 86 93 0.36343 88 93 0.43824 88 94 0.10418 89 93 0.13340 89 94 0.18356 89 96 -0.11096 91 94 -0.15835 8 Singlet-A 5.7054 217.31 0.0227 0.000 92 95 0.61469 92 96 0.10005 92 98 -0.23985 92 99 0.11850 9 Singlet-A 5.7255 216.55 0.0089 0.000 86 93 0.18348 91 94 0.63138 91 95 0.14359 92 96 -0.10677 10 Singlet-A 5.8029 213.66 0.1858 0.000 86 93 0.27752 89 93 -0.12155 89 94 -0.16299 89 96 0.15736 92 94 0.24523 92 96 0.48606 PT25723.900S Tue Jan 18 02:18:32 2022 GINC-ESTREMERA PAULAPLA 18-Jan-2022 0 Electronic spectrum pefurazoate CONF128 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1165.2607132 RMSD=5.874e-09 PG=C01 [X(C18H23N3O4)] 0 -0.0591176689 -0.9090544399 0.3912406931 0 -3.7858046629 0.5739436132 -0.0743101077 0 -1.7330724402 -0.6948660118 1.8915352468 0 0.1410441007 1.1475278211 -2.3901212236 0 -0.5960645395 1.7610716395 -0.3046370801 0 1.708378244 1.3897398312 -0.7492512889 0 3.822820942 0.7074585551 -0.6419121873 0 -0.5302341836 1.2878410937 1.1001080324 0 -1.3725634723 2.1395594635 2.053284002 0 -1.9479580985 1.957401932 -0.8790866302 0 -0.88389058 -0.211974737 1.1869855186 0 0.3643874395 1.4047370912 -1.225198064 0 -0.971443994 1.9372918515 3.518150927 0 -2.7631145159 0.7110927749 -0.976786495 0 -0.2587823408 -2.3432214968 0.2933737716 0 0.9573916766 -2.9140980727 -0.4118924148 0 -2.6917213611 -0.3983980205 -1.763788283 0 2.2526319196 -2.7591688566 0.4060019141 0 2.3455889623 2.2146622646 0.1733929447 0 2.664409483 0.5123244284 -1.2120566759 0 -3.7303894656 -1.2793837051 -1.318414536 0 -4.3572285677 -0.6409022807 -0.2941431959 0 3.6381891706 1.7760882469 0.2179637892 0 3.4646127901 -3.2380999129 -0.3393258956 0 4.1940054914 -4.3024475938 -0.0126993498 0 0.5116294668 1.3472521203 1.4125210191 0 -1.2351603455 3.1885013107 1.7723328615 0 -2.4293423521 1.8951317575 1.9265263796 0 -1.8078675969 2.391450495 -1.8667935741 0 -2.4774649543 2.6816629141 -0.2616294594 0 0.0799706321 2.1952168772 3.6812821813 0 -1.5751101834 2.5730745578 4.1699538985 0 -1.1249836677 0.9016481411 3.825169748 0 -1.1827313619 -2.5128951533 -0.2645758072 0 -0.3820695006 -2.7497911105 1.3001085959 0 1.0632304549 -2.4266138908 -1.3871814242 0 0.772685761 -3.9751564444 -0.6095569057 0 -1.9716656515 -0.5528224915 -2.550959227 0 2.1507777626 -3.3072061627 1.3495705681 0 2.3837606481 -1.7012723397 0.6576595705 0 1.8377849966 3.0354405139 0.6494342137 0 2.4200339747 -0.2350476445 -1.9490863027 0 -3.9785748776 -2.2531038678 -1.7101564748 0 -5.1795070599 -0.9003124219 0.3505579283 0 4.4516246312 2.1722525469 0.8054550447 0 3.7449286477 -2.6506316163 -1.2120577926 0 5.0590862401 -4.6005049237 -0.5943899112 0 3.9556077196 -4.9088967622 0.8567349783 Gaussian 16 18-Jan-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(C18H23N3O4)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=checkguess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/pefurazoate/gas/CONF128/opt-b #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point pefurazoate CONF128 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 45 46 47 48 16 16 16 16 14 14 14 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 1 1 1 1 1 1 15.9949146 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 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 2 2 2 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 1 1 1 1 1 1 5.6000000 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 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 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 1332 A 1182 A 1182 1703 1332 92 92 2382.1804606606 48 48 48 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 -0.0607365313 0.000000 4.037848 0.000000 2.258071 3.112577 0.000000 3.464905 4.594793 5.023874 0.000000 2.811073 3.411270 3.485339 2.295432 0.000000 3.115962 5.595276 4.812787 2.282029 2.376137 0.000000 4.330123 7.630936 6.265207 4.099436 4.555261 2.224387 0.000000 2.356012 3.533786 2.450368 3.556965 1.483775 2.905495 4.724465 0.000000 3.712354 3.577924 2.861835 4.797810 2.511174 4.231860 6.025530 1.530845 0.000000 3.660331 2.437068 3.841490 2.702416 1.481943 3.702417 5.909357 2.524968 2.993837 0.000000 1.341410 3.260313 1.204443 3.961620 2.490119 3.610313 5.132578 1.543395 2.553231 3.179165 0.000000 2.854096 4.386212 4.303684 1.213707 1.377271 1.425855 3.575917 2.494205 3.782249 2.402535 3.160789 0.000000 4.325690 4.762890 3.186567 6.063748 3.845214 5.068726 6.465570 2.542319 1.532202 4.504407 3.171962 4.956553 0.000000 3.436273 1.370828 3.356334 3.259161 2.500069 4.528419 6.594445 3.103528 3.627048 1.492418 3.010888 3.213117 4.991804 0.000000 1.451303 4.591833 2.728503 4.421124 4.161322 4.346468 5.180820 3.729494 4.942987 4.766900 2.394058 4.091649 5.406465 4.148954 0.000000 2.387156 5.897314 4.179637 4.590928 4.927671 4.381873 4.623772 4.706960 6.086480 5.691295 3.639808 4.434575 6.534649 5.225254 1.517359 0.000000 3.440279 2.235353 3.790553 3.287361 3.344280 4.856707 6.702297 3.964509 4.769848 2.624057 3.465555 3.589036 6.026084 1.362145 3.732753 4.633832 0.000000 2.960967 6.913975 4.728001 5.247798 5.390051 4.340998 3.947293 4.960284 6.312933 6.445343 4.115326 4.854317 6.491293 6.254001 2.548117 1.539676 5.893035 0.000000 3.948123 6.351953 5.296494 3.545476 3.014562 1.392051 2.262432 3.160405 4.167048 4.428142 4.164790 2.556794 4.718797 5.448163 5.250852 5.345450 5.996270 4.980135 0.000000 3.465325 6.550078 5.516107 2.856342 3.607419 1.377695 1.305779 4.019114 5.441277 4.844900 4.344013 2.467119 6.133908 5.436256 4.354941 3.910824 5.460949 3.672920 2.217898 0.000000 4.066731 2.232866 3.825534 4.693235 4.482868 6.085093 7.839400 4.762446 5.349474 3.721136 3.939410 4.896978 6.430486 2.239269 3.972615 5.046718 1.432943 6.399994 7.165986 6.641911 0.000000 4.360667 1.360405 3.415596 5.275042 4.462728 6.412661 8.297724 4.506648 4.706337 3.591369 3.800237 5.229260 5.713511 2.198884 4.476643 5.781563 2.234408 6.976210 7.300726 7.174671 1.360043 0.000000 4.572756 7.526371 6.144665 4.407632 4.266409 2.192930 1.383996 4.288626 5.348659 5.695738 5.033945 3.596998 5.671502 6.598358 5.671048 5.438864 6.980222 4.745912 1.365705 2.142500 8.123566 8.368441 0.000000 4.286590 8.195759 6.201670 5.872444 6.440654 4.966820 3.973324 6.206039 7.618535 7.522001 5.513306 5.652619 7.832203 7.401829 3.881338 2.529111 6.927731 1.501262 5.589965 3.932896 7.520854 8.241886 5.048047 0.000000 5.455945 9.352024 7.195207 7.195892 7.732804 6.254746 5.062889 7.403250 8.760961 8.812495 6.629950 6.979118 8.836465 8.629401 4.874379 3.544367 8.106858 2.515144 6.776724 5.192317 8.581366 9.306435 6.108251 1.330990 0.000000 2.541591 4.612658 3.072196 3.825874 2.084914 2.471290 3.948927 1.089317 2.142081 3.416624 2.104645 2.642451 2.642221 4.103345 3.932635 4.656854 4.837116 4.572402 2.377235 3.495708 5.687877 5.529126 3.374351 5.728397 6.892768 0.000000 4.481122 4.092895 3.916972 4.835859 2.599962 4.272979 6.129219 2.135724 1.094574 3.008939 3.468322 3.837390 2.164013 4.003730 5.808665 6.842503 5.243240 7.028964 4.040636 5.592419 5.978368 5.355555 5.306648 8.237000 9.422128 2.563384 0.000000 3.979765 2.754791 2.682183 5.079296 2.890842 4.953377 6.862725 2.158328 1.092060 2.847292 2.715739 4.240139 2.158822 3.153185 5.034099 6.329839 4.352878 6.774614 5.096621 6.140779 4.722278 3.883244 6.304625 8.137743 9.275738 3.035406 1.767102 0.000000 4.364651 3.229329 4.863741 2.370543 2.075133 3.823128 6.003400 3.413621 3.952208 1.087929 4.117903 2.470615 5.468409 2.127959 5.429835 6.157292 2.928321 6.941335 4.630855 4.895003 4.179932 4.262351 5.863823 7.862827 9.179783 4.150219 3.769154 3.875802 0.000000 4.378115 2.487835 4.073228 3.706837 2.094995 4.407735 6.613297 2.754773 2.621738 1.089121 3.607091 3.261155 4.136294 2.115701 5.520874 6.567599 3.433535 7.240318 4.865098 5.661114 4.286783 3.817592 6.200911 8.387963 9.661692 3.676699 2.436639 2.325720 1.763274 0.000000 4.525508 5.628252 3.852648 6.161438 4.066086 4.788542 5.908668 2.803238 2.182506 4.996600 3.597932 4.977881 1.094810 5.655383 5.673632 6.605229 6.637613 6.324070 4.175966 5.784135 7.182525 6.598205 4.983088 7.559234 8.531731 2.460214 2.521958 3.076666 5.863752 4.724792 0.000000 5.357437 5.186277 3.986926 6.929066 4.651865 6.031597 7.468081 3.488201 2.170081 5.100086 4.139128 5.851011 1.092465 5.600649 6.397700 7.583927 6.729470 7.566490 5.610066 7.154457 7.043355 6.164251 6.590289 8.916398 9.902024 3.668863 2.498580 2.494451 6.043963 4.523822 1.766598 0.000000 4.025740 4.732156 2.580227 6.347687 4.251314 5.402916 6.668831 2.815818 2.175615 4.891005 2.873725 5.289380 1.091051 5.077260 4.873712 6.070330 5.948213 6.041571 5.206184 6.315435 6.164536 5.458535 6.038576 7.452847 8.372783 2.949227 3.075057 2.508627 5.923199 4.658281 1.773679 1.764981 0.000000 2.065165 4.042371 2.873486 4.434977 4.314229 4.880982 5.963943 4.090686 5.201331 4.576762 2.736891 4.320210 5.844470 3.660458 1.092602 2.182382 2.999298 3.508853 5.915290 4.984994 3.020379 3.685467 6.470664 4.704181 5.672322 4.536987 6.054558 5.077959 5.197163 5.353483 6.271406 6.759150 5.328082 0.000000 2.078136 4.951934 2.529370 5.392637 4.792586 5.070065 5.779717 4.045297 5.045206 5.418354 2.589427 4.918788 5.218795 4.778216 1.092709 2.179931 4.500112 2.782295 5.775414 5.121856 4.497778 4.773986 6.149561 4.209888 5.007461 4.194889 6.017813 5.114590 6.204396 6.027471 5.507865 6.163786 4.501207 1.773532 0.000000 2.593345 5.851506 4.644162 3.825024 4.632696 3.922719 4.241836 4.745831 6.214486 5.342753 3.914364 3.897932 6.873562 4.965334 2.139845 1.095459 4.284292 2.177332 5.061747 3.351388 4.929468 5.810755 5.183590 2.742836 3.899962 4.731243 6.840661 6.469638 5.629119 6.316477 6.929462 7.927136 6.560047 2.512376 3.068365 0.000000 3.330837 6.462247 4.826447 5.459970 5.905147 5.447674 5.588493 5.685042 7.005895 6.532212 4.487020 5.430375 7.418693 5.881979 2.131296 1.095003 5.111513 2.168000 6.434352 4.907047 5.295975 6.126398 6.478635 2.804059 3.488379 5.699560 7.811712 7.151572 6.983809 7.416049 7.547494 8.440095 6.859386 2.465943 2.545938 1.757015 0.000000 3.527220 3.270244 4.451164 2.716726 3.506044 4.534581 6.229674 4.335442 5.367206 3.016115 3.907897 3.323677 6.635903 2.168385 3.772231 4.327887 1.077945 5.608589 5.806871 4.941699 2.267194 3.285101 6.675420 6.454081 7.649703 5.048387 5.764616 5.123458 3.027153 3.994842 7.113492 7.422881 6.594496 3.113174 4.710012 3.751809 4.797174 0.000000 3.398995 7.234208 4.711936 6.153778 5.997415 5.163533 4.783227 5.325835 6.525060 7.034390 4.337753 5.658890 6.477327 6.760547 2.801928 2.163667 6.450114 1.095920 5.649104 4.627587 6.768924 7.222542 5.415977 2.140867 2.649729 4.935053 7.337406 6.955192 7.647912 7.738420 6.324696 7.510959 5.879937 3.787965 2.593930 3.073762 2.486660 6.308352 0.000000 2.581907 6.616338 4.414025 4.736497 4.668319 3.462643 3.092211 4.197848 5.550651 5.874630 3.629840 4.155757 5.716551 5.914494 2.743690 2.156250 5.772470 1.095295 3.945949 2.911119 6.439386 6.889938 3.722762 2.126984 3.239210 3.656254 6.184575 6.140855 6.379106 6.609594 5.443562 6.802861 5.396258 3.772150 3.026871 2.539940 3.061364 5.530272 1.764099 0.000000 4.384512 6.181224 5.311217 3.960056 2.908245 2.163654 3.320759 2.977369 3.616592 4.222605 4.271087 2.888657 4.162599 5.405133 5.783803 6.107251 6.175056 5.814538 1.076177 3.242618 7.314007 7.265262 2.239105 6.556030 7.735296 2.278370 3.275259 4.597787 4.476261 4.424543 3.603885 4.925007 4.839046 6.383021 6.230573 5.880627 7.201942 6.134335 6.388844 4.768082 0.000000 3.475285 6.533122 5.675394 2.701818 3.973104 2.141493 2.136547 4.507866 6.003459 5.003108 4.555370 2.727378 6.790572 5.357759 4.080329 3.417543 5.117720 3.456248 3.242150 1.077728 6.270255 6.988193 3.197605 3.563818 4.841520 4.176851 6.239398 6.563116 4.977993 5.944763 6.563774 7.828753 6.870317 4.583239 4.973227 2.638108 4.300757 4.444126 4.515727 2.991029 4.217513 0.000000 4.645910 3.271903 4.521346 5.384971 5.434194 6.821663 8.412363 5.685678 6.344310 4.747888 4.704967 5.698799 7.344212 3.286584 4.226004 5.146471 2.258053 6.600164 7.968923 7.212832 1.078512 2.178914 8.829900 7.632197 8.594896 6.547947 7.018912 5.730047 5.129171 5.357563 8.082510 7.977740 6.981066 3.158154 4.716274 5.055118 5.172162 2.761447 6.931235 6.811049 8.207704 6.713556 0.000000 5.120558 2.072764 3.780837 6.325602 5.340430 7.341450 9.198469 5.192839 5.160709 4.485696 4.430095 6.207337 5.982762 3.193340 5.128234 6.503706 3.303249 7.661273 8.146258 8.121843 2.242567 1.076603 9.215881 8.981202 9.978438 6.210342 5.856425 4.226298 5.207716 4.528394 6.952563 6.296339 5.635526 4.353508 5.228539 6.657410 6.767945 4.339331 7.779733 7.611758 8.051203 7.967683 2.742048 0.000000 5.478396 8.437050 6.902928 5.462863 5.184645 3.248821 2.153111 5.068325 5.956451 6.621065 5.856435 4.627974 6.068245 7.573892 6.545202 6.289878 8.014777 5.414245 2.199247 3.165415 9.130716 9.312296 1.078781 5.617529 6.531270 4.070960 5.857230 6.977199 6.809567 7.029257 5.232807 6.913902 6.467741 7.405508 6.916343 6.118696 7.302567 7.742752 5.967782 4.393416 2.757099 4.184490 9.847860 10.119599 0.000000 4.480449 8.270689 6.592860 5.366734 6.255458 4.548223 3.407037 6.255773 7.732859 7.331698 5.755730 5.279607 8.103585 7.328790 4.288418 2.912051 6.841595 2.203826 5.248686 3.342426 7.600790 8.398008 4.653193 1.088741 2.090126 5.772843 8.234279 8.284703 7.528932 8.249537 7.801214 9.195432 7.855469 5.019813 4.832487 2.696731 3.309320 6.234814 3.087774 2.499981 6.279631 2.851947 7.749751 9.227727 5.275414 0.000000 6.387040 10.260482 8.219931 7.775067 8.516710 6.865439 5.450237 8.293639 9.685286 9.601347 7.599439 7.648598 9.799136 9.462881 5.844928 4.438600 8.893830 3.502497 7.375572 5.679526 9.423850 10.219373 6.583298 2.112712 1.084236 7.751314 10.290167 10.228630 9.882384 10.485242 9.447476 10.870684 9.383438 6.589930 6.051483 4.617487 4.331803 8.345260 3.729593 4.138906 8.380426 5.277975 9.403964 10.927632 6.942537 2.431158 0.000000 5.686250 9.531938 7.154715 7.859596 8.158124 6.877649 5.814381 7.653860 8.916382 9.220153 6.752102 7.556010 8.844731 8.949151 4.965999 3.818106 8.449777 2.779320 7.335135 5.944471 8.773779 9.415070 6.722931 2.112629 1.086522 7.163050 9.661793 9.391850 9.691766 10.012580 8.571293 9.876546 8.269610 5.779333 4.865569 4.422978 3.626689 8.106808 2.462866 3.577595 8.224393 5.663522 8.751767 9.988758 7.098686 3.069862 1.848928 0.000000 C18H23N3O4 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2968098 0.1799673 0.1519048 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= 1182 RedAO= T EigKep= 1.02D-06 NBF= 1182 NBsUse= 1182 1.00D-06 EigRej= -1.00D+00 NBFU= 1182 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= 1317 1317 1317 1317 1317 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1165.26695561466 -1165.34103570703 -0.074080092365 -1165.34095588843 0.000079818603 -1165.34132730782 -0.000371419394 -1165.34140866292 -0.000081355097 -1165.34141687705 -0.000008214135 -1165.34141742441 -0.000000547357 -1165.34141748059 -0.000000056176 -1165.34141748550 -0.000000004914 -1165.34141748610 -0.000000000604 -1165.34141748628 -0.000000000176 -1165.34141748652 -0.000000000245 -1165.34141749 12 1.160154784073e+03 -7.481070960683e+03 2.773455034993e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11321049424 LenY= 11319273868 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. PT24369.200S Tue Jan 18 03:09:25 2022 GINC-ESTREMERA PAULAPLA 18-Jan-2022 0 Single Point pefurazoate CONF128 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1165.3414175 RMSD=2.831e-09 Dipole=-0.9704886,0.2519157,0.6566622 Quadrupole=-7.5871156,10.7258033,-3.1386877,1.2553873,4.3380797,5.9514335 PG=C01 [X(C18H23N3O4)] 0 -0.0591176689 -0.9090544399 0.3912406931 0 -3.7858046629 0.5739436132 -0.0743101077 0 -1.7330724402 -0.6948660118 1.8915352468 0 0.1410441007 1.1475278211 -2.3901212236 0 -0.5960645395 1.7610716395 -0.3046370801 0 1.708378244 1.3897398312 -0.7492512889 0 3.822820942 0.7074585551 -0.6419121873 0 -0.5302341836 1.2878410937 1.1001080324 0 -1.3725634723 2.1395594635 2.053284002 0 -1.9479580985 1.957401932 -0.8790866302 0 -0.88389058 -0.211974737 1.1869855186 0 0.3643874395 1.4047370912 -1.225198064 0 -0.971443994 1.9372918515 3.518150927 0 -2.7631145159 0.7110927749 -0.976786495 0 -0.2587823408 -2.3432214968 0.2933737716 0 0.9573916766 -2.9140980727 -0.4118924148 0 -2.6917213611 -0.3983980205 -1.763788283 0 2.2526319196 -2.7591688566 0.4060019141 0 2.3455889623 2.2146622646 0.1733929447 0 2.664409483 0.5123244284 -1.2120566759 0 -3.7303894656 -1.2793837051 -1.318414536 0 -4.3572285677 -0.6409022807 -0.2941431959 0 3.6381891706 1.7760882469 0.2179637892 0 3.4646127901 -3.2380999129 -0.3393258956 0 4.1940054914 -4.3024475938 -0.0126993498 0 0.5116294668 1.3472521203 1.4125210191 0 -1.2351603455 3.1885013107 1.7723328615 0 -2.4293423521 1.8951317575 1.9265263796 0 -1.8078675969 2.391450495 -1.8667935741 0 -2.4774649543 2.6816629141 -0.2616294594 0 0.0799706321 2.1952168772 3.6812821813 0 -1.5751101834 2.5730745578 4.1699538985 0 -1.1249836677 0.9016481411 3.825169748 0 -1.1827313619 -2.5128951533 -0.2645758072 0 -0.3820695006 -2.7497911105 1.3001085959 0 1.0632304549 -2.4266138908 -1.3871814242 0 0.772685761 -3.9751564444 -0.6095569057 0 -1.9716656515 -0.5528224915 -2.550959227 0 2.1507777626 -3.3072061627 1.3495705681 0 2.3837606481 -1.7012723397 0.6576595705 0 1.8377849966 3.0354405139 0.6494342137 0 2.4200339747 -0.2350476445 -1.9490863027 0 -3.9785748776 -2.2531038678 -1.7101564748 0 -5.1795070599 -0.9003124219 0.3505579283 0 4.4516246312 2.1722525469 0.8054550447 0 3.7449286477 -2.6506316163 -1.2120577926 0 5.0590862401 -4.6005049237 -0.5943899112 0 3.9556077196 -4.9088967622 0.8567349783