Gaussian 16 GINC-DEPAZ12 PAULAPLA Optimization metconazole_trans CONF14 gas EM64L-G16RevC.01 26-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 44 44 85 85 624 (5D, 7F) 6-311+G(d,p) 126 126 C1[X(C17H22ClN3O)] C1[X(C17H22ClN3O)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 297.6543999999998 0 1 AuxInfo=1/0/N:13,14,17,18,19,20,10,9,12,11,21,16,15,8,22,7,6,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,11.3,12.3,13.3,15.3,19.2,20.2/rA:44ClONN2N2CCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s3s6;s8;s7;s7;s12;s3s5;s15;s15;s17;s18;s4s5;s1s19s20;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s13;s14;s14;s14;s2;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/paulapla/opt-b3lyp-pople.com-2587711/Gau-25987.inp" -scrdir="/temporal/paulapla/opt-b3lyp-pople.com-2587711/" chk=/home/paulapla/almacen/ADAMA/censo_results/metconazole_trans/gas/CONF14/opt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4//1 5/5=2,38=5/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization metconazole_trans CONF14 gas 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 35 16 14 14 14 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 34.9688527 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 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 3 0 2 2 2 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 -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 1 2 2 3 3 3 4 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 12 12 12 13 13 13 14 14 14 15 15 16 17 17 18 18 19 19 20 20 21 22 6 38 4 11 16 21 16 21 7 8 11 9 13 14 10 12 23 10 24 25 26 27 28 29 15 30 31 32 33 34 35 36 37 17 18 39 19 40 20 41 22 42 22 43 44 1.7292 1.3974 0.9682 1.3351 1.4485 1.3369 1.3139 1.3106 1.344 1.5638 1.5477 1.5432 1.5401 1.5343 1.5278 1.5307 1.53 1.094 1.5426 1.091 1.0933 1.0943 1.0897 1.0907 1.0905 1.5042 1.0918 1.0925 1.0914 1.0886 1.0894 1.0911 1.0915 1.0911 1.3922 1.3901 1.0794 1.3847 1.0839 1.3867 1.0835 1.3861 1.0813 1.3843 1.0813 1.0784 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 6 4 4 11 3 16 2 2 2 7 7 8 6 6 6 9 9 13 6 6 6 10 10 12 7 7 7 10 10 24 8 8 8 9 9 26 3 3 3 6 6 28 8 8 8 15 15 30 7 7 7 32 32 33 7 7 7 35 35 36 12 12 17 3 3 5 15 15 19 15 15 20 17 17 22 18 18 22 4 4 5 1 1 19 2 3 3 3 4 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 38 11 16 16 21 21 7 8 11 8 11 11 9 13 14 13 14 14 10 12 23 12 23 23 10 24 25 24 25 25 9 26 27 26 27 27 6 28 29 28 29 29 15 30 31 30 31 31 32 33 34 33 34 34 35 36 37 36 37 37 17 18 18 5 39 39 19 40 40 20 41 41 22 42 42 22 43 43 5 44 44 19 20 20 109.1132 121.3881 109.1769 129.4022 103.1633 102.7175 109.5179 113.3734 109.8914 101.3782 108.4632 113.7553 102.7629 110.3806 114.2747 110.118 112.2498 107.0553 104.4876 119.4844 104.2235 114.2073 108.2136 105.4083 106.7913 110.9914 110.5114 112.3233 110.4982 105.784 105.9062 110.5245 111.368 110.6561 112.6447 105.8236 114.635 106.6779 107.4367 111.3293 108.9163 107.553 110.8663 111.1991 109.8486 108.7571 109.1155 106.951 108.9782 111.6452 113.5206 107.8431 106.833 107.7673 113.3087 111.2143 109.9625 108.3428 106.4108 107.3205 120.5166 121.506 117.9549 110.4976 123.1009 126.4013 121.471 119.5146 119.0134 121.4737 119.5934 118.9326 119.2681 120.5146 120.2167 119.2665 120.491 120.2421 114.4414 121.8983 123.6602 119.6955 119.7388 120.5653 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 38 38 38 11 16 4 4 4 16 16 16 4 4 11 11 3 3 21 21 16 16 2 2 2 8 8 8 11 11 11 2 2 2 7 7 7 11 11 11 2 2 2 7 7 7 8 8 8 6 6 6 13 13 13 14 14 14 6 6 6 9 9 9 14 14 14 6 6 6 9 9 9 13 13 13 6 6 6 12 12 12 23 23 23 6 6 6 10 10 10 23 23 23 7 7 7 24 24 24 25 25 25 8 8 30 30 31 31 12 12 18 18 12 12 17 17 15 15 40 40 15 15 41 41 17 17 42 42 18 18 43 43 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 12 12 12 12 12 12 15 15 15 15 15 15 15 15 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 6 6 6 4 4 11 11 11 11 11 11 16 16 16 16 21 21 16 16 21 21 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 11 11 11 11 11 11 11 11 11 9 9 9 9 9 9 9 9 9 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 10 10 10 10 10 10 10 10 10 15 15 15 15 15 15 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 22 22 22 22 22 22 22 22 7 8 11 21 21 6 28 29 6 28 29 5 39 5 39 5 44 3 39 4 44 9 13 14 9 13 14 9 13 14 10 12 23 10 12 23 10 12 23 3 28 29 3 28 29 3 28 29 10 24 25 10 24 25 10 24 25 32 33 34 32 33 34 32 33 34 35 36 37 35 36 37 35 36 37 9 26 27 9 26 27 9 26 27 15 30 31 15 30 31 15 30 31 8 26 27 8 26 27 8 26 27 17 18 17 18 17 18 19 40 19 40 20 41 20 41 22 42 22 42 22 43 22 43 1 20 1 20 1 19 1 19 163.3965 -84.1941 44.3461 178.6657 0.5641 49.0149 172.733 -72.1737 -133.3058 -9.5877 105.5056 -0.4458 179.7053 -178.3484 1.8027 -0.5207 179.5895 0.1173 179.96 0.2636 -179.8488 161.3803 43.9692 -76.7461 41.3352 -76.0759 163.2088 -78.691 163.8979 43.1826 -158.1391 72.6179 -44.6528 -40.8656 -170.1085 72.6208 75.3353 -53.9077 -171.1784 -62.9751 175.8263 57.398 177.3296 56.1311 -62.2973 65.3552 -55.8433 -174.2717 -26.8927 -149.6262 93.3338 90.7044 -32.029 -149.069 -150.1299 87.1367 -29.9033 176.9416 -64.0405 58.017 64.1694 -176.8128 -54.7553 -58.1186 60.8992 -177.0433 -66.8562 55.4752 174.2105 49.6529 171.9843 -69.2803 170.5988 -67.0698 51.6656 24.5606 -95.3303 147.3391 156.9003 37.0093 -80.3213 -86.0601 154.0489 36.7183 -167.9208 70.9512 -47.2439 67.3784 -53.7496 -171.9447 -51.2661 -172.3941 69.4108 1.7384 121.5432 -120.2261 123.6357 -116.5595 1.6712 -118.4966 1.3082 119.5389 78.2079 -100.0301 -159.2345 22.5275 -42.9024 138.8596 -178.182 2.1791 0.1172 -179.5216 178.0546 -2.1524 -0.2268 179.5661 0.0955 -179.6138 179.7362 0.0268 0.1213 179.9017 -179.673 0.1074 -179.9792 -0.206 -0.269 179.5042 179.8729 0.0997 0.092 -179.6812 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 646 A 624 A 985 646 1983.7560204880 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 624 RedAO= T EigKep= 1.44D-06 NBF= 624 NBsUse= 621 1.00D-06 EigRej= 9.49D-07 NBFU= 621 Berny optimization. local minimum Step number 14 out of a maximum of 264 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00070 0.00299 0.00320 0.00411 0.00441 0.00734 0.00955 0.01157 0.01591 0.01750 0.01996 0.02187 0.02222 0.02239 0.02245 0.02274 0.02281 0.02282 0.02288 0.02291 0.02356 0.02616 0.02631 0.03176 0.03497 0.03927 0.04108 0.04282 0.04374 0.04747 0.04823 0.04886 0.05278 0.05326 0.05384 0.05444 0.05512 0.05692 0.05722 0.05931 0.06133 0.06415 0.07228 0.07257 0.07393 0.07416 0.09112 0.09337 0.10063 0.10155 0.10530 0.12786 0.13242 0.14274 0.15502 0.15981 0.15990 0.16000 0.16000 0.16000 0.16009 0.16015 0.16025 0.16062 0.16149 0.16200 0.16715 0.17457 0.18702 0.20522 0.21482 0.22008 0.22178 0.23321 0.23720 0.24670 0.24994 0.25003 0.25297 0.26618 0.27509 0.28314 0.28878 0.29182 0.29322 0.29686 0.30347 0.30560 0.32847 0.34268 0.34320 0.34442 0.34491 0.34536 0.34649 0.34676 0.34686 0.34704 0.34717 0.34746 0.34853 0.34934 0.34974 0.35253 0.35530 0.35584 0.35832 0.35842 0.36066 0.36155 0.37079 0.39392 0.42347 0.43247 0.43686 0.47129 0.47506 0.47834 0.48084 0.49871 0.51120 0.53629 0.54826 0.56942 0.60350 0.68626 -2.46177460e-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 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 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 3.32891 2.68381 1.83535 2.56511 2.76237 2.54719 2.50487 2.49995 2.56500 2.98031 2.93817 2.92618 2.93652 2.91736 2.90289 2.90792 2.90671 2.06488 2.93617 2.06382 2.06751 2.07082 2.06164 2.06106 2.05885 2.85788 2.06325 2.06601 2.06677 2.06057 2.06206 2.06538 2.06687 2.06643 2.64464 2.63995 2.03960 2.63020 2.05111 2.63434 2.05033 2.63044 2.04583 2.62674 2.04581 2.03898 1.89463 2.11607 1.90394 2.26305 1.79669 1.79469 1.91121 1.96440 1.90528 1.77388 1.90568 1.99789 1.79464 1.91622 1.99202 1.92650 1.96110 1.87325 1.82010 2.07872 1.80633 2.00452 1.89490 1.84424 1.86788 1.92852 1.92741 1.95813 1.92844 1.85444 1.84643 1.91911 1.94399 1.93074 1.97046 1.85420 1.99954 1.86143 1.87171 1.93924 1.89218 1.89650 1.94363 1.93342 1.90645 1.90190 1.90778 1.86902 1.90338 1.93393 1.96793 1.89827 1.87437 1.88394 1.97128 1.93285 1.91587 1.89588 1.86432 1.88028 2.10180 2.11946 2.06142 1.92994 2.14494 2.20829 2.11893 2.08509 2.07916 2.11903 2.08717 2.07698 2.07781 2.10991 2.09546 2.07776 2.10943 2.09599 1.99947 2.12570 2.15802 2.08536 2.08641 2.11141 2.83548 -1.48844 0.75005 3.13496 0.00929 0.89222 3.04545 -1.20854 -2.26892 -0.11569 1.91350 -0.00782 3.13946 -3.13173 0.01556 -0.00810 3.13571 0.00266 3.13831 0.00362 -3.14024 2.78105 0.73056 -1.37323 0.70006 -1.35043 2.82897 -1.41695 2.81575 0.71196 -2.77000 1.25044 -0.78872 -0.72726 -2.99000 1.25402 1.32422 -0.93852 -2.97768 -1.11100 3.06130 0.97838 3.08333 0.97245 -1.11047 1.10864 -1.00224 -3.08516 -0.42104 -2.55772 1.67883 1.62216 -0.51452 -2.56116 -2.57074 1.57577 -0.47087 3.11986 -1.07435 1.03946 1.15348 -3.04074 -0.92692 -0.98907 1.09991 -3.06946 -1.14542 0.98542 3.05941 0.88918 3.02002 -1.18918 3.01017 -1.14217 0.93181 0.47047 -1.61486 2.61767 2.77684 0.69151 -1.35915 -1.44678 2.75108 0.70042 -2.90700 1.25650 -0.79815 1.20011 -0.91958 -2.97423 -0.88783 -3.00752 1.22102 -0.02452 2.05313 -2.15484 2.09356 -2.11197 -0.03676 -2.12374 -0.04608 2.02913 1.33007 -1.77697 -2.81517 0.36097 -0.77800 2.39815 -3.10665 0.03827 0.00152 -3.13674 3.10537 -0.03894 -0.00244 3.13643 0.00176 -3.13611 3.14004 0.00217 0.00005 3.13924 -3.13884 0.00036 3.14098 -0.00426 -0.00429 3.13365 3.14131 0.00337 0.00210 -3.13584 0.00002 0.00001 0.00001 -0.00000 0.00001 -0.00001 -0.00002 -0.00001 -0.00001 -0.00000 -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 0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00001 0.00000 0.00001 0.00000 -0.00000 -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 0.00001 -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 -0.00000 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 0.00001 -0.00002 -0.00000 -0.00002 0.00002 0.00001 0.00001 -0.00001 -0.00002 0.00003 0.00005 0.00002 0.00000 0.00000 0.00002 -0.00003 0.00000 0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 -0.00001 -0.00001 -0.00002 -0.00001 -0.00001 -0.00002 -0.00000 -0.00001 -0.00001 -0.00000 -0.00001 -0.00002 0.00001 -0.00000 0.00000 -0.00000 -0.00002 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00002 0.00006 -0.00000 -0.00006 0.00001 0.00002 -0.00004 0.00004 -0.00002 -0.00001 0.00002 0.00001 0.00003 0.00000 -0.00003 0.00001 0.00001 -0.00002 -0.00004 0.00000 -0.00000 0.00003 0.00002 -0.00001 0.00002 -0.00002 0.00001 -0.00004 0.00001 0.00003 0.00000 -0.00004 0.00002 0.00001 -0.00001 0.00002 -0.00004 -0.00001 -0.00000 -0.00001 -0.00003 0.00010 -0.00003 0.00001 -0.00002 0.00002 0.00001 0.00002 -0.00003 -0.00002 -0.00002 0.00003 0.00004 -0.00000 -0.00002 -0.00005 0.00000 0.00004 0.00003 0.00001 0.00001 -0.00002 0.00001 -0.00001 -0.00004 0.00004 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00001 -0.00001 0.00002 -0.00001 -0.00002 -0.00000 0.00002 -0.00000 -0.00001 0.00001 0.00027 0.00025 0.00028 -0.00014 0.00002 -0.00013 -0.00018 -0.00007 -0.00033 -0.00037 -0.00026 0.00000 0.00004 0.00018 0.00022 -0.00003 -0.00002 -0.00002 -0.00006 0.00003 0.00002 -0.00007 -0.00011 -0.00006 -0.00009 -0.00013 -0.00009 -0.00011 -0.00014 -0.00010 -0.00004 -0.00005 -0.00003 -0.00008 -0.00008 -0.00007 -0.00006 -0.00006 -0.00005 -0.00005 -0.00000 -0.00010 -0.00001 0.00004 -0.00005 -0.00001 0.00004 -0.00006 0.00023 0.00028 0.00025 0.00025 0.00030 0.00028 0.00025 0.00030 0.00027 0.00010 0.00011 0.00008 0.00006 0.00007 0.00004 0.00005 0.00006 0.00003 -0.00011 -0.00011 -0.00013 -0.00009 -0.00009 -0.00011 -0.00008 -0.00008 -0.00010 0.00023 0.00024 0.00023 0.00022 0.00023 0.00022 0.00024 0.00025 0.00024 -0.00001 -0.00002 -0.00004 0.00002 0.00001 -0.00001 -0.00002 -0.00003 -0.00005 -0.00029 -0.00033 -0.00031 -0.00033 -0.00037 -0.00035 -0.00031 -0.00035 -0.00033 0.00047 0.00054 0.00047 0.00054 0.00051 0.00058 0.00006 0.00006 -0.00001 -0.00001 -0.00008 -0.00007 -0.00002 -0.00000 0.00002 0.00000 0.00002 0.00000 0.00003 -0.00000 0.00002 -0.00001 -0.00001 -0.00001 0.00001 0.00001 -0.00001 -0.00002 0.00002 0.00001 0.00005 0.00004 0.00001 0.00002 0.00001 -0.00003 -0.00003 -0.00001 -0.00001 -0.00004 -0.00006 -0.00004 0.00001 0.00001 -0.00001 0.00001 0.00001 0.00000 0.00002 0.00000 0.00001 0.00001 0.00000 0.00001 0.00001 0.00001 0.00002 -0.00000 0.00001 -0.00001 0.00001 0.00001 0.00000 0.00000 0.00000 0.00001 0.00001 0.00002 0.00000 0.00001 0.00000 -0.00001 -0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00002 -0.00000 0.00002 -0.00001 -0.00002 0.00003 -0.00000 0.00000 0.00001 -0.00001 -0.00003 -0.00001 0.00001 0.00001 -0.00003 -0.00001 0.00002 0.00000 -0.00001 0.00003 -0.00001 -0.00001 0.00000 -0.00001 0.00001 0.00003 0.00002 -0.00000 -0.00004 -0.00001 0.00001 0.00002 -0.00002 0.00003 -0.00003 0.00002 -0.00001 0.00001 0.00001 0.00004 -0.00006 0.00001 -0.00001 0.00001 0.00001 -0.00000 -0.00002 0.00001 0.00004 -0.00000 -0.00003 -0.00005 0.00002 0.00001 0.00004 -0.00000 -0.00003 -0.00003 0.00000 -0.00002 0.00001 0.00001 0.00001 0.00003 -0.00004 0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00001 -0.00002 -0.00000 0.00002 -0.00001 -0.00000 0.00001 0.00002 -0.00001 -0.00001 -0.00001 -0.00001 0.00002 -0.00003 0.00000 -0.00004 -0.00000 0.00002 -0.00001 0.00000 -0.00007 -0.00004 -0.00003 -0.00010 -0.00014 -0.00001 -0.00011 0.00002 0.00010 -0.00004 0.00018 0.00005 -0.00018 -0.00004 0.00005 0.00008 0.00003 0.00003 0.00006 0.00002 0.00006 0.00009 0.00005 -0.00006 -0.00004 -0.00005 -0.00002 0.00000 -0.00002 -0.00003 -0.00001 -0.00003 -0.00002 -0.00002 0.00003 -0.00005 -0.00005 0.00000 -0.00004 -0.00004 0.00001 -0.00003 -0.00005 -0.00002 -0.00003 -0.00005 -0.00003 -0.00003 -0.00005 -0.00003 -0.00007 -0.00007 -0.00002 -0.00005 -0.00006 -0.00000 -0.00004 -0.00004 0.00002 0.00019 0.00019 0.00022 0.00018 0.00018 0.00021 0.00016 0.00016 0.00018 -0.00001 0.00002 0.00003 -0.00002 0.00000 0.00001 -0.00004 -0.00001 -0.00000 -0.00001 -0.00003 -0.00001 -0.00000 -0.00002 0.00001 0.00002 0.00000 0.00002 0.00002 0.00002 -0.00001 0.00004 0.00003 0.00001 0.00000 -0.00000 -0.00003 0.00009 0.00009 0.00010 0.00010 0.00008 0.00008 0.00000 -0.00001 0.00001 -0.00001 0.00001 -0.00000 0.00001 -0.00001 -0.00001 -0.00000 0.00000 0.00002 -0.00002 -0.00000 -0.00000 0.00001 0.00001 0.00001 -0.00000 -0.00001 0.00000 0.00001 -0.00001 -0.00000 0.00006 0.00002 0.00001 -0.00001 0.00003 -0.00002 -0.00002 -0.00002 -0.00002 -0.00001 -0.00000 -0.00002 0.00001 0.00001 0.00001 -0.00002 0.00002 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00001 -0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00000 -0.00001 -0.00000 -0.00000 -0.00002 0.00001 0.00001 0.00002 0.00000 -0.00000 0.00000 -0.00002 -0.00001 0.00000 -0.00001 0.00000 -0.00002 0.00003 -0.00000 -0.00003 -0.00000 0.00000 -0.00001 0.00004 -0.00002 0.00000 0.00001 -0.00002 0.00002 0.00001 -0.00002 -0.00001 -0.00001 0.00001 -0.00003 -0.00000 0.00003 0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00003 -0.00002 0.00001 -0.00001 -0.00001 -0.00003 0.00004 -0.00001 0.00002 -0.00000 -0.00002 -0.00002 0.00001 -0.00000 0.00001 0.00003 -0.00003 0.00000 -0.00001 0.00003 0.00000 0.00000 -0.00002 0.00002 -0.00002 0.00001 -0.00001 0.00002 -0.00001 -0.00001 -0.00000 0.00001 0.00000 0.00001 -0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00001 -0.00002 0.00001 0.00001 -0.00002 0.00002 0.00000 0.00000 -0.00001 0.00001 -0.00001 -0.00002 0.00003 0.00024 0.00025 0.00024 -0.00015 0.00004 -0.00014 -0.00017 -0.00014 -0.00037 -0.00040 -0.00037 -0.00014 0.00003 0.00007 0.00024 0.00007 -0.00006 0.00016 -0.00001 -0.00015 -0.00002 -0.00003 -0.00003 -0.00003 -0.00006 -0.00007 -0.00007 -0.00004 -0.00005 -0.00005 -0.00010 -0.00008 -0.00009 -0.00010 -0.00008 -0.00008 -0.00009 -0.00008 -0.00008 -0.00007 -0.00002 -0.00007 -0.00005 -0.00001 -0.00005 -0.00005 -0.00000 -0.00005 0.00020 0.00023 0.00023 0.00022 0.00025 0.00025 0.00022 0.00025 0.00024 0.00003 0.00003 0.00006 0.00000 0.00001 0.00004 0.00001 0.00002 0.00004 0.00008 0.00009 0.00009 0.00009 0.00009 0.00010 0.00008 0.00008 0.00008 0.00022 0.00025 0.00026 0.00020 0.00023 0.00023 0.00020 0.00023 0.00024 -0.00002 -0.00005 -0.00004 0.00002 -0.00001 -0.00001 -0.00000 -0.00002 -0.00002 -0.00026 -0.00031 -0.00032 -0.00029 -0.00034 -0.00034 -0.00031 -0.00036 -0.00036 0.00056 0.00063 0.00057 0.00063 0.00059 0.00066 0.00006 0.00005 -0.00000 -0.00002 -0.00007 -0.00007 -0.00001 -0.00001 0.00000 0.00000 0.00002 0.00002 0.00001 -0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00001 3.32896 2.68383 1.83536 2.56511 2.76240 2.54718 2.50485 2.49993 2.56498 2.98030 2.93817 2.92616 2.93653 2.91736 2.90290 2.90790 2.90672 2.06489 2.93618 2.06382 2.06751 2.07082 2.06164 2.06106 2.05884 2.85788 2.06326 2.06600 2.06677 2.06056 2.06206 2.06537 2.06687 2.06643 2.64462 2.63996 2.03961 2.63022 2.05111 2.63434 2.05033 2.63042 2.04583 2.62674 2.04580 2.03898 1.89461 2.11610 1.90394 2.26301 1.79669 1.79469 1.91120 1.96444 1.90526 1.77388 1.90569 1.99787 1.79466 1.91623 1.99200 1.92649 1.96110 1.87326 1.82006 2.07872 1.80636 2.00454 1.89492 1.84423 1.86788 1.92851 1.92744 1.95811 1.92844 1.85443 1.84642 1.91908 1.94403 1.93073 1.97048 1.85419 1.99951 1.86140 1.87172 1.93923 1.89218 1.89653 1.94360 1.93342 1.90643 1.90193 1.90779 1.86903 1.90336 1.93395 1.96791 1.89828 1.87437 1.88396 1.97127 1.93284 1.91586 1.89590 1.86432 1.88029 2.10180 2.11946 2.06143 1.92994 2.14493 2.20830 2.11893 2.08508 2.07917 2.11903 2.08717 2.07699 2.07779 2.10992 2.09547 2.07774 2.10945 2.09600 1.99947 2.12569 2.15802 2.08534 2.08639 2.11144 2.83572 -1.48818 0.75029 3.13482 0.00933 0.89208 3.04527 -1.20869 -2.26929 -0.11609 1.91313 -0.00796 3.13950 -3.13166 0.01579 -0.00803 3.13565 0.00283 3.13830 0.00347 -3.14025 2.78102 0.73053 -1.37326 0.69999 -1.35050 2.82890 -1.41699 2.81570 0.71191 -2.77010 1.25036 -0.78880 -0.72735 -2.99008 1.25394 1.32413 -0.93860 -2.97776 -1.11107 3.06128 0.97831 3.08327 0.97244 -1.11053 1.10859 -1.00224 -3.08521 -0.42084 -2.55749 1.67906 1.62238 -0.51427 -2.56091 -2.57052 1.57602 -0.47063 3.11989 -1.07432 1.03952 1.15348 -3.04073 -0.92689 -0.98905 1.09993 -3.06942 -1.14534 0.98551 3.05950 0.88927 3.02012 -1.18908 3.01024 -1.14209 0.93189 0.47069 -1.61460 2.61793 2.77704 0.69174 -1.35891 -1.44658 2.75131 0.70066 -2.90702 1.25645 -0.79820 1.20012 -0.91959 -2.97423 -0.88783 -3.00754 1.22100 -0.02478 2.05282 -2.15516 2.09327 -2.11231 -0.03710 -2.12404 -0.04644 2.02877 1.33063 -1.77635 -2.81460 0.36160 -0.77740 2.39880 -3.10659 0.03831 0.00152 -3.13676 3.10530 -0.03901 -0.00245 3.13642 0.00177 -3.13611 3.14006 0.00218 0.00006 3.13924 -3.13882 0.00035 3.14099 -0.00426 -0.00429 3.13366 3.14130 0.00336 0.00211 -3.13584 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000019 0.000003 0.001543 0.000313 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.187418e-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 1 2 2 3 3 3 4 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 12 12 12 13 13 13 14 14 14 15 15 16 17 17 18 18 19 19 20 20 21 22 6 38 4 11 16 21 16 21 7 8 11 9 13 14 10 12 23 10 24 25 26 27 28 29 15 30 31 32 33 34 35 36 37 17 18 39 19 40 20 41 22 42 22 43 44 1.7616 1.4202 0.9712 1.3574 1.4618 1.3479 1.3255 1.3229 1.3573 1.5771 1.5548 1.5485 1.5539 1.5438 1.5361 1.5388 1.5382 1.0927 1.5538 1.0921 1.0941 1.0958 1.091 1.0907 1.0895 1.5123 1.0918 1.0933 1.0937 1.0904 1.0912 1.093 1.0937 1.0935 1.3995 1.397 1.0793 1.3918 1.0854 1.394 1.085 1.392 1.0826 1.39 1.0826 1.079 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 6 4 4 11 3 16 2 2 2 7 7 8 6 6 6 9 9 13 6 6 6 10 10 12 7 7 7 10 10 24 8 8 8 9 9 26 3 3 3 6 6 28 8 8 8 15 15 30 7 7 7 32 32 33 7 7 7 35 35 36 12 12 17 3 3 5 15 15 19 15 15 20 17 17 22 18 18 22 4 4 5 1 1 19 2 3 3 3 4 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 38 11 16 16 21 21 7 8 11 8 11 11 9 13 14 13 14 14 10 12 23 12 23 23 10 24 25 24 25 25 9 26 27 26 27 27 6 28 29 28 29 29 15 30 31 30 31 31 32 33 34 33 34 34 35 36 37 36 37 37 17 18 18 5 39 39 19 40 40 20 41 41 22 42 42 22 43 43 5 44 44 19 20 20 108.5543 121.2416 109.0877 129.6631 102.943 102.8279 109.5042 112.5521 109.1645 101.6356 109.1872 114.4709 102.8252 109.7914 114.1345 110.3803 112.363 107.3293 104.2839 119.102 103.4951 114.8507 108.5699 105.667 107.0216 110.496 110.4326 112.1927 110.4912 106.2516 105.7929 109.9569 111.3826 110.6234 112.8992 106.2376 114.565 106.6518 107.2411 111.1101 108.4137 108.6613 111.3618 110.7767 109.2314 108.971 109.3079 107.0872 109.0558 110.8061 112.7539 108.763 107.3937 107.9417 112.9457 110.7443 109.771 108.6262 106.8177 107.732 120.4245 121.4364 118.1106 110.5773 122.8962 126.5256 121.406 119.4667 119.127 121.4116 119.5862 119.0019 119.0497 120.8889 120.061 119.0467 120.8616 120.0916 114.5612 121.7934 123.6452 119.4822 119.5426 120.9749 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 38 38 38 11 16 4 4 4 16 16 16 4 4 11 11 3 3 21 21 16 16 2 2 2 8 8 8 11 11 11 2 2 2 7 7 7 11 11 11 2 2 2 7 7 7 8 8 8 6 6 6 13 13 13 14 14 14 6 6 6 9 9 9 14 14 14 6 6 6 9 9 9 13 13 13 6 6 6 12 12 12 23 23 23 6 6 6 10 10 10 23 23 23 7 7 7 24 24 24 25 25 25 8 8 30 30 31 31 12 12 18 18 12 12 17 17 15 15 40 40 15 15 41 41 17 17 42 42 18 18 43 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 12 12 12 12 12 12 15 15 15 15 15 15 15 15 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 6 6 6 4 4 11 11 11 11 11 11 16 16 16 16 21 21 16 16 21 21 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 11 11 11 11 11 11 11 11 11 9 9 9 9 9 9 9 9 9 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 10 10 10 10 10 10 10 10 10 15 15 15 15 15 15 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 22 22 22 22 22 22 22 7 8 11 21 21 6 28 29 6 28 29 5 39 5 39 5 44 3 39 4 44 9 13 14 9 13 14 9 13 14 10 12 23 10 12 23 10 12 23 3 28 29 3 28 29 3 28 29 10 24 25 10 24 25 10 24 25 32 33 34 32 33 34 32 33 34 35 36 37 35 36 37 35 36 37 9 26 27 9 26 27 9 26 27 15 30 31 15 30 31 15 30 31 8 26 27 8 26 27 8 26 27 17 18 17 18 17 18 19 40 19 40 20 41 20 41 22 42 22 42 22 43 22 43 1 20 1 20 1 19 1 162.4612 -85.2811 42.9746 179.62 0.5323 51.1205 174.4912 -69.2445 -129.9995 -6.6287 109.6356 -0.4481 179.8781 -179.4348 0.8913 -0.4639 179.6629 0.1527 179.8119 0.2072 -179.9223 159.3422 41.8579 -78.6804 40.1104 -77.3739 162.0878 -81.1853 161.3304 40.7921 -158.7091 71.6451 -45.1902 -41.6687 -171.3145 71.8503 75.8724 -53.7734 -170.6086 -63.6558 175.3996 56.0571 176.6617 55.7171 -63.6255 63.5205 -57.4242 -176.7667 -24.1237 -146.5464 96.1899 92.9429 -29.4797 -146.7435 -147.2925 90.2849 -26.9789 178.755 -61.5557 59.5569 66.0893 -174.2215 -53.1088 -56.6693 63.02 -175.8674 -65.6278 56.4606 175.2912 50.9462 173.0346 -68.1347 172.4698 -65.4418 53.3888 26.9562 -92.5245 149.9816 159.1012 39.6205 -77.8733 -82.8943 157.625 40.1312 -166.5589 71.9919 -45.7307 68.7612 -52.6881 -170.4107 -50.8687 -172.318 69.9594 -1.405 117.6359 -123.4633 119.952 -121.0071 -2.1063 -121.6811 -2.6402 116.2605 76.2075 -101.8131 -161.2975 20.682 -44.5759 137.4036 -177.9979 2.1926 0.0873 -179.7222 177.9248 -2.2312 -0.14 179.704 0.1011 -179.6861 179.9113 0.1241 0.0028 179.8653 -179.8421 0.0204 179.9651 -0.2439 -0.2459 179.5451 179.9838 0.193 0.1203 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0549650971 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 297.6543999999998 AuxInfo=1/0/N:13,14,17,18,19,20,10,9,12,11,21,16,15,8,22,7,6,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,11.3,12.3,13.3,15.3,19.2,20.2/rA:44ClONN2N2CCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s3s6;s8;s7;s7;s12;s3s5;s15;s15;s17;s18;s4s5;s1s19s20;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s13;s14;s14;s14;s2;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 8.676440 0.000000 8.982357 2.960547 0.000000 9.126223 2.801403 1.335055 0.000000 9.333018 4.860177 2.175344 2.234655 0.000000 8.218568 1.397380 2.518514 2.989525 4.588490 0.000000 8.759883 2.420402 3.849251 4.465473 5.984033 1.563808 0.000000 6.693198 2.462558 3.140063 3.615128 4.801745 1.547734 2.407483 0.000000 8.133622 3.655337 4.292933 5.187132 6.238957 2.425171 1.540082 2.453002 0.000000 6.749038 3.680491 3.931562 4.763573 5.571216 2.433931 2.474724 1.530735 1.542640 0.000000 9.064299 2.408598 1.448494 2.427941 3.588810 1.543151 2.520973 2.588634 3.043278 3.105768 0.000000 6.022262 3.248160 3.011862 3.281215 4.004244 2.658501 3.867281 1.530049 3.823370 2.570000 3.176962 0.000000 8.631324 2.766924 5.042593 5.374360 7.128826 2.543784 1.534323 3.016180 2.520222 3.259848 3.866290 4.483033 0.000000 10.275285 3.146796 4.285251 4.932681 6.439135 2.596941 1.527797 3.811081 2.547130 3.791799 2.880086 5.155679 2.462388 0.000000 4.518549 4.475733 4.485889 4.692424 5.177707 3.935667 4.878422 2.498631 4.571772 3.109662 4.620737 1.504188 5.211787 6.305157 0.000000 9.116359 4.269698 1.336905 2.177676 1.310611 3.697045 4.943383 3.991391 5.078993 4.539608 2.518704 3.505044 6.219258 5.360987 4.803153 0.000000 3.983660 4.792223 5.447393 5.393437 6.172653 4.579024 5.437810 3.221467 5.329557 4.007004 5.541778 2.515466 5.389511 6.916501 1.392204 5.927101 0.000000 3.984615 5.658978 5.213541 5.636870 5.659604 4.891831 5.677665 3.426771 5.017367 3.475415 5.356091 2.525905 6.140768 7.069208 1.390054 5.239465 2.384297 0.000000 2.699317 6.126217 6.776187 6.747255 7.367339 5.880616 6.592175 4.456682 6.321681 4.974418 6.857844 3.797592 6.418082 8.104191 2.422533 7.157904 1.384740 2.767153 0.000000 2.698452 6.832760 6.589777 6.947172 6.941553 6.130467 6.793521 4.609333 6.058366 4.553224 6.708638 3.806025 7.066294 8.236564 2.422385 6.596554 2.767090 1.386688 2.406060 0.000000 9.310855 4.077897 2.075451 1.313859 1.343961 4.183386 5.678196 4.546176 6.226926 5.621032 3.469073 3.822783 6.626996 6.156785 5.066529 2.073515 5.820633 5.848199 7.088710 7.113923 0.000000 1.729249 7.022267 7.258348 7.417528 7.694849 6.541912 7.186558 5.021675 6.633634 5.195100 7.352777 4.293067 7.180060 8.692429 2.789300 7.437037 2.390705 2.390863 1.386082 1.384340 7.649874 0.000000 6.367828 2.540839 4.034438 4.256946 5.668146 2.103454 2.649457 1.094047 2.887615 2.141723 3.467646 2.104164 2.644679 4.136218 2.604984 4.974930 2.831054 3.697236 4.001452 4.660573 5.232461 4.775095 0.000000 8.211771 4.429554 5.375266 6.222750 7.316007 3.350566 2.183117 3.237241 1.091017 2.201956 4.110916 4.631166 2.582618 3.031551 5.138843 6.161259 5.743145 5.501914 6.576152 6.364113 7.283948 6.848280 3.386562 0.000000 8.843104 4.251597 4.278510 5.359490 6.146502 2.950111 2.178808 3.186474 1.093326 2.180901 3.013508 4.369413 3.414998 2.606917 5.220303 4.890146 6.146940 5.504949 7.149007 6.600122 6.317409 7.339608 3.834142 1.742014 0.000000 6.872490 4.302510 3.746151 4.757719 5.117797 2.979685 3.230448 2.171453 2.183619 1.094291 3.130028 2.678489 4.256644 4.325427 3.235379 4.040179 4.396271 3.268567 5.320446 4.425835 5.422865 5.322853 3.022701 2.912239 2.311637 0.000000 5.970202 4.441531 4.924820 5.665334 6.428992 3.345853 3.236083 2.178534 2.204883 1.089667 4.176464 3.004959 3.622090 4.612692 3.006621 5.473655 3.718803 3.178526 4.435638 3.988688 6.471229 4.542248 2.360235 2.376768 2.928286 1.742163 0.000000 9.015177 3.354961 2.048091 3.284696 3.878326 2.189850 2.735437 2.827304 2.701202 2.793753 1.090733 3.423358 4.224271 3.063479 4.728000 2.615934 5.813538 5.197384 7.039748 6.536589 4.106870 7.341481 3.826041 3.768141 2.355436 2.532564 3.872597 0.000000 10.103802 2.637627 2.057673 2.785542 4.080174 2.159081 2.750099 3.511462 3.555200 3.984465 1.090514 4.208880 4.050590 2.518189 5.662857 3.099840 6.502002 6.440466 7.836549 7.786420 3.862233 8.394287 4.252129 4.539426 3.405155 4.075743 5.052492 1.759650 0.000000 6.469867 3.810381 2.603598 3.149993 3.287845 3.028903 4.246080 2.177470 4.025769 2.796443 3.006879 1.091846 5.147927 5.365241 2.123894 2.715967 3.375079 2.622036 4.530980 3.998327 3.455041 4.768928 3.030810 4.931250 4.307925 2.467031 3.372367 3.032503 4.076620 0.000000 6.471555 2.955647 2.893948 2.699492 3.705838 2.842831 4.256497 2.160957 4.558939 3.498610 3.345554 1.092503 4.757432 5.439473 2.128953 3.499974 2.699905 3.318506 4.048613 4.490411 3.203270 4.771402 2.491897 5.396986 5.124069 3.686449 3.979673 3.877764 4.249552 1.755349 0.000000 9.177984 3.809527 5.939516 6.372444 8.060623 3.487057 2.152812 3.912607 2.776214 3.804788 4.655435 5.419696 1.091442 2.658850 6.051376 7.072451 6.226529 6.855249 7.141648 7.700497 7.628703 7.821739 3.562555 2.438160 3.559124 4.777793 4.031751 4.853876 4.741836 6.032018 5.788604 0.000000 9.223971 2.506989 5.184780 5.279816 7.247888 2.833180 2.184361 3.574550 3.480833 4.146665 4.121772 4.903830 1.088616 2.720833 5.724438 6.459405 5.770625 6.800223 6.852041 7.746895 6.569748 7.760946 3.134166 3.646069 4.286104 5.106176 4.574225 4.703308 4.125812 5.617841 4.941517 1.761948 0.000000 7.647024 3.033975 5.297784 5.561567 7.246218 2.813209 2.207963 2.720748 2.768734 3.033875 4.290356 4.081472 1.089413 3.447906 4.535161 6.411260 4.537535 5.475642 5.462743 6.270356 6.737332 6.256132 2.024304 2.740803 3.821088 4.115381 3.120640 4.624219 4.698166 4.891092 4.399694 1.751203 1.759459 0.000000 10.641892 3.701608 4.026736 4.875935 6.074715 2.947220 2.200899 4.142648 2.766170 3.959963 2.650996 5.336182 3.444129 1.091129 6.561720 4.919607 7.354502 7.191158 8.560770 8.420216 5.985831 9.030796 4.703471 3.391286 2.387408 4.222262 4.883843 2.573729 2.173130 5.322088 5.678035 3.634309 3.772387 4.341289 0.000000 10.800057 2.883548 4.335626 4.725085 6.452855 2.829465 2.175379 4.246633 3.495564 4.563299 3.099406 5.487856 2.766574 1.091462 6.720278 5.517368 7.224957 7.629869 8.470806 8.822491 5.986601 9.190005 4.478869 4.007187 3.638635 5.125358 5.402865 3.587441 2.484665 5.756931 5.558949 3.094735 2.576644 3.785722 1.769583 0.000000 10.722186 4.051387 5.355080 6.015598 7.504716 3.530018 2.159400 4.556467 2.866491 4.310355 3.930449 5.994833 2.619410 1.091136 7.013413 6.394052 7.557193 7.717326 8.656539 8.798117 7.244045 9.217298 4.744456 2.960766 2.915314 4.907654 4.967058 3.978125 3.583244 6.251406 6.350777 2.347661 2.947641 3.640342 1.747531 1.758121 0.000000 8.772952 0.968219 2.507347 1.986292 4.151347 1.943229 3.255382 2.830905 4.359192 4.175311 2.461508 3.160273 3.728423 3.885877 4.468806 3.772639 4.822443 5.670809 6.193220 6.881798 3.224594 7.094375 3.047931 5.225666 4.852297 4.624549 4.970018 3.501538 2.718210 3.611958 2.605460 4.775086 3.443136 3.917066 4.263460 3.552535 4.866548 0.000000 9.245207 4.949063 2.128033 3.206376 2.135837 4.120123 5.138243 4.307361 4.989959 4.489594 2.854110 3.925578 6.526321 5.499231 5.100031 1.079387 6.353963 5.283286 7.504905 6.616318 3.130577 7.608782 5.371206 6.037320 4.610500 3.781617 5.403467 2.512315 3.439293 2.986703 4.183671 7.272924 6.908349 6.738541 4.905690 5.826413 6.454112 4.604658 0.000000 4.831960 4.235895 5.345604 5.083945 6.198596 4.329086 5.232370 3.220999 5.427516 4.300866 5.423723 2.713339 5.015063 6.658905 2.144762 6.011298 1.083933 3.370296 2.132697 3.850971 5.620087 3.369147 2.623753 5.860482 6.312653 4.848172 4.155923 5.883518 6.277919 3.719478 2.543064 5.918495 5.207532 4.184895 7.201292 6.818723 7.315186 4.251625 6.583601 0.000000 4.831585 5.847635 4.912707 5.539442 5.251166 4.905907 5.672005 3.582225 4.866463 3.373361 5.080868 2.732776 6.378441 6.941951 2.143292 4.733357 3.370734 1.083472 3.850559 2.133193 5.673725 3.368017 4.126117 5.430785 5.144093 2.833285 3.255500 4.741555 6.165547 2.399300 3.626605 7.055284 7.094021 5.861109 6.901239 7.569595 7.610246 5.835257 4.587492 4.272104 0.000000 2.844166 6.623008 7.576019 7.419314 8.191400 6.552225 7.214700 5.217134 7.068068 5.821697 7.640464 4.661214 6.839034 8.719705 3.401260 8.042127 2.146433 3.848408 1.081273 3.385318 7.787837 2.144508 4.595154 7.248763 7.965755 6.275692 5.255272 7.908998 8.566447 5.479311 4.758834 7.536912 7.172385 5.831104 9.269955 9.014388 9.229279 6.704188 8.460330 2.459544 4.931798 0.000000 2.843889 7.754006 7.277057 7.739986 7.501203 6.945996 7.537516 5.446395 6.643193 5.170719 7.399914 4.672725 7.891836 8.935509 3.400622 7.137377 3.848349 2.147930 3.385762 1.081263 7.828650 2.143199 5.590145 6.901580 7.071364 4.885060 4.571943 7.098323 8.483433 4.684030 5.417600 8.456598 8.639362 7.128900 9.036216 9.593607 9.462093 7.806389 7.018510 4.932220 2.459541 4.277842 0.000000 9.632187 4.668999 3.113639 2.094424 2.139128 5.008145 6.528215 5.329258 7.168310 6.520347 4.451898 4.500944 7.338167 7.017107 5.602049 3.115947 6.176093 6.440103 7.390162 7.616646 1.078417 8.029127 5.881532 8.202405 7.328794 6.380780 7.310785 5.157810 4.774860 4.255812 3.703177 8.375035 7.171764 7.398500 6.919617 6.741369 8.101307 3.733241 4.143696 5.882399 6.371934 7.991619 8.361489 0.000000 C17H22ClN3O 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 0 297.6543999999998 AuxInfo=1/0/N:13,14,17,18,19,20,10,9,12,11,21,16,15,8,22,7,6,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,11.3,12.3,13.3,15.3,19.2,20.2/rA:44ClONN2N2CCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s3s6;s8;s7;s7;s12;s3s5;s15;s15;s17;s18;s4s5;s1s19s20;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s13;s14;s14;s14;s2;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3961492 0.1459063 0.1201507 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 297.6543999999998 AuxInfo=1/0/N:13,14,17,18,19,20,10,9,12,11,21,16,15,8,22,7,6,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,11.3,12.3,13.3,15.3,19.2,20.2/rA:44ClONN2N2CCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s3s6;s8;s7;s7;s12;s3s5;s15;s15;s17;s18;s4s5;s1s19s20;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s13;s14;s14;s14;s2;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 8.703506 0.000000 9.029663 2.976774 0.000000 9.157639 2.824270 1.357400 0.000000 9.301387 4.884081 2.195556 2.257230 0.000000 8.279462 1.420209 2.533093 3.028515 4.609367 0.000000 8.845969 2.449474 3.884950 4.519550 6.028643 1.577112 0.000000 6.752620 2.475520 3.151764 3.648444 4.795033 1.554813 2.427724 0.000000 8.219491 3.691305 4.355952 5.265172 6.299364 2.447456 1.553942 2.466478 0.000000 6.847676 3.706100 3.947797 4.804519 5.566334 2.442537 2.498492 1.538807 1.553755 0.000000 9.147891 2.420457 1.461782 2.457147 3.623178 1.548466 2.547597 2.609554 3.108855 3.133591 0.000000 6.070423 3.244264 3.011168 3.290930 3.966732 2.666407 3.894422 1.538163 3.858054 2.592934 3.197333 0.000000 8.725789 2.762432 5.064833 5.402975 7.156353 2.553310 1.543798 3.047409 2.543410 3.317603 3.883241 4.511956 0.000000 10.368625 3.193706 4.317835 4.988737 6.495472 2.613079 1.536143 3.832937 2.567276 3.808171 2.892432 5.182009 2.481090 0.000000 4.558681 4.471638 4.492598 4.695823 5.125650 3.955583 4.921719 2.519473 4.621029 3.161133 4.657410 1.512327 5.259468 6.349771 0.000000 9.125338 4.288175 1.347918 2.203650 1.322917 3.706073 4.977489 3.980306 5.133864 4.528975 2.543411 3.475016 6.243096 5.400152 4.775027 0.000000 4.022014 4.763727 5.452297 5.394155 6.136018 4.580915 5.450582 3.227966 5.342624 4.040916 5.562757 2.527699 5.398521 6.935514 1.399483 5.908273 0.000000 4.023200 5.677987 5.229373 5.643416 5.589533 4.935362 5.757682 3.466799 5.110468 3.559139 5.418081 2.538213 6.232234 7.148824 1.396999 5.207999 2.398442 0.000000 2.730262 6.107118 6.789043 6.751004 7.327377 5.894633 6.619435 4.474496 6.347533 5.023755 6.892222 3.816266 6.444390 8.138214 2.434305 7.143220 1.391844 2.783355 0.000000 2.729463 6.852273 6.611656 6.955698 6.874061 6.178142 6.877969 4.652623 6.152396 4.642253 6.776633 3.824956 7.164448 8.323668 2.434114 6.572334 2.783307 1.394035 2.421011 0.000000 9.294806 4.104190 2.098938 1.325520 1.357340 4.217689 5.731986 4.561241 6.298483 5.642150 3.504253 3.806152 6.656865 6.220712 5.033054 2.095194 5.795559 5.803184 7.060349 7.068848 0.000000 1.761581 7.019966 7.273210 7.419619 7.636021 6.571087 7.241919 5.050052 6.691436 5.263380 7.402730 4.308920 7.244272 8.753089 2.797100 7.414582 2.399228 2.399389 1.391970 1.390008 7.607338 0.000000 6.429088 2.535463 4.039490 4.280393 5.657804 2.098653 2.649612 1.092689 2.873952 2.152404 3.475430 2.113685 2.657976 4.146132 2.627593 4.961378 2.835831 3.739946 4.018977 4.707674 5.241268 4.806464 0.000000 8.266278 4.438040 5.431328 6.283644 7.367669 3.356186 2.189960 3.224726 1.092126 2.211064 4.173745 4.639230 2.585302 3.071407 5.157694 6.214526 5.712266 5.578444 6.558083 6.441229 7.339049 6.875771 3.335200 0.000000 8.948825 4.316727 4.392986 5.487490 6.268964 2.996918 2.190616 3.222650 1.094080 2.191196 3.122579 4.438640 3.427111 2.612564 5.299235 5.004810 6.188182 5.626226 7.199259 6.718671 6.446315 7.420046 3.838033 1.748867 0.000000 7.028278 4.300920 3.726205 4.768503 5.085213 2.956620 3.226085 2.172524 2.194181 1.095830 3.116937 2.709981 4.294499 4.299490 3.321361 3.995252 4.468785 3.401128 5.417363 4.569076 5.417427 5.444391 3.036154 2.945514 2.323212 0.000000 6.057191 4.479796 4.930165 5.696716 6.393202 3.366935 3.284033 2.186849 2.218906 1.090973 4.205045 3.009353 3.723585 4.656071 3.037921 5.437942 3.747149 3.233077 4.479877 4.055892 6.471162 4.598772 2.390611 2.391080 2.923582 1.749185 0.000000 9.139955 3.369281 2.059145 3.315886 3.911101 2.191762 2.756122 2.858555 2.776563 2.832067 1.090667 3.465926 4.251586 3.050730 4.796825 2.637415 5.865312 5.298927 7.108865 6.646442 4.142461 7.430983 3.845976 3.853622 2.476739 2.530785 3.908995 0.000000 10.175499 2.623681 2.065886 2.787009 4.125622 2.156512 2.780613 3.525185 3.638358 4.021523 1.089497 4.215073 4.053968 2.549179 5.685496 3.143454 6.500157 6.498017 7.849831 7.849799 3.887499 8.431686 4.245957 4.626472 3.540847 4.074386 5.094678 1.771155 0.000000 6.521350 3.814792 2.606930 3.167613 3.250424 3.036701 4.274586 2.179330 4.067671 2.807090 3.032455 1.091823 5.178974 5.389978 2.133724 2.683316 3.393882 2.631084 4.555803 4.016377 3.444992 4.788043 3.034549 4.956253 4.391850 2.482998 3.353694 3.079865 4.095782 0.000000 6.524640 2.920673 2.866437 2.677291 3.660631 2.828366 4.259509 2.160795 4.575971 3.512073 3.332072 1.093285 4.756128 5.440904 2.139108 3.458474 2.723308 3.326953 4.076914 4.508173 3.168308 4.791918 2.497785 5.385237 5.177597 3.700513 3.988407 3.886437 4.210737 1.757502 0.000000 9.307961 3.805691 5.972209 6.406717 8.102120 3.502396 2.163787 3.957570 2.816629 3.886448 4.682111 5.466609 1.093688 2.667459 6.124244 7.111852 6.254986 6.982933 7.191185 7.838969 7.667237 7.919900 3.587415 2.476971 3.572952 4.844076 4.166581 4.895631 4.755853 6.083112 5.799971 0.000000 9.282009 2.454383 5.155097 5.250488 7.225163 2.806602 2.183617 3.570955 3.496781 4.177256 4.090470 4.885839 1.090406 2.745702 5.725946 6.435232 5.740091 6.842718 6.841680 7.799209 6.545226 7.785018 3.122548 3.654889 4.297120 5.108743 4.653290 4.684939 4.075954 5.600768 4.888244 1.775479 0.000000 7.736350 3.026006 5.317826 5.589835 7.262482 2.819705 2.208423 2.747560 2.767617 3.085468 4.308029 4.109482 1.091196 3.461128 4.580905 6.425600 4.545973 5.561540 5.487682 6.362641 6.760902 6.317067 2.038745 2.699053 3.815707 4.159312 3.220174 4.655370 4.700306 4.918989 4.405576 1.760790 1.764301 0.000000 10.722110 3.738507 4.046749 4.921825 6.122781 2.947171 2.205305 4.144984 2.788514 3.954067 2.650729 5.343791 3.462984 1.092952 6.589299 4.948920 7.360663 7.252749 8.582471 8.490578 6.040721 9.076768 4.696609 3.449562 2.407959 4.167595 4.897903 2.537605 2.219601 5.328181 5.661435 3.656550 3.788112 4.350604 0.000000 10.882010 2.928283 4.361879 4.773950 6.511620 2.843865 2.178581 4.268436 3.514763 4.580807 3.097807 5.510054 2.765066 1.093743 6.757068 5.556362 7.237460 7.697732 8.496623 8.896935 6.050062 9.239828 4.489605 4.034911 3.654286 5.098750 5.448607 3.561905 2.482663 5.778207 5.555144 3.072586 2.579619 3.788863 1.776071 0.000000 10.824249 4.100406 5.389601 6.073932 7.561442 3.548174 2.166082 4.580036 2.873842 4.327708 3.946718 6.024172 2.649397 1.093509 7.063263 6.433568 7.579475 7.805878 8.695041 8.895942 7.309585 9.286492 4.757812 2.998201 2.885683 4.886399 5.017221 3.971127 3.619891 6.277621 6.356785 2.367157 3.006478 3.660234 1.755531 1.766513 0.000000 8.800507 0.971224 2.504946 1.991930 4.163564 1.959104 3.279755 2.846108 4.395020 4.196641 2.454226 3.156397 3.728642 3.919695 4.464073 3.776281 4.806392 5.678717 6.184192 6.892033 3.240077 7.091966 3.055805 5.236667 4.921325 4.615524 5.000147 3.498514 2.676636 3.611919 2.572834 4.774341 3.393888 3.920512 4.284009 3.584986 4.904618 0.000000 9.257052 4.962140 2.135902 3.232134 2.148178 4.117279 5.162248 4.282633 5.035446 4.461006 2.875524 3.889672 6.546458 5.527691 5.070282 1.079311 6.332509 5.253277 7.489498 6.595275 3.152350 7.588394 5.344988 6.090907 4.717473 3.717001 5.345554 2.532336 3.495683 2.946825 4.141105 7.312993 6.884452 6.746344 4.925863 5.855339 6.482484 4.602917 0.000000 4.871710 4.183079 5.343957 5.084016 6.179156 4.307996 5.209068 3.208936 5.403926 4.308255 5.421941 2.723367 4.976442 6.644856 2.151998 5.996921 1.085402 3.384789 2.141493 3.868682 5.609511 3.380347 2.603520 5.784619 6.318987 4.887963 4.166213 5.907090 6.245576 3.737883 2.572666 5.890684 5.132948 4.146368 7.177813 6.800880 7.301386 4.224864 6.563056 0.000000 4.871186 5.881590 4.933227 5.549725 5.173176 4.961644 5.772226 3.629841 4.989157 3.469316 5.156952 2.743797 6.490380 7.040273 2.150705 4.699284 3.385594 1.084986 3.868298 2.141769 5.626562 3.378932 4.173981 5.548462 5.300364 2.982349 3.310114 4.860783 6.245024 2.403330 3.628349 7.207891 7.153811 5.963307 6.981884 7.654012 7.718702 5.850650 4.556170 4.286900 0.000000 2.864047 6.598869 7.591744 7.427463 8.163498 6.562076 7.229029 5.232849 7.076889 5.863204 7.670253 4.684681 6.846756 8.742464 3.416876 8.034729 2.157870 3.865934 1.082609 3.398866 7.769874 2.149270 4.609430 7.205358 7.997364 6.364164 5.296236 7.971078 8.570519 5.509335 4.796540 7.561522 7.149404 5.838099 9.282367 9.030565 9.254259 6.696901 8.450295 2.476019 4.950849 0.000000 2.864059 7.786664 7.308282 7.754164 7.432038 7.007453 7.642904 5.499805 6.762869 5.275145 7.484317 4.696420 8.013020 9.044706 3.416117 7.118840 3.865882 2.159549 3.399377 1.082594 7.783249 2.147816 5.646040 7.014158 7.216817 5.047833 4.650024 7.228470 8.569142 4.706933 5.436839 8.625026 8.713168 7.240585 9.129708 9.687770 9.584626 7.824890 7.006199 4.951238 2.475490 4.288293 0.000000 9.595149 4.699940 3.138287 2.104338 2.151611 5.048471 6.585635 5.349349 7.239789 6.545067 4.488081 4.487536 7.369125 7.087393 5.562145 3.137727 6.146603 6.380470 7.351651 7.552273 1.078981 7.969941 5.896588 8.253030 7.456674 6.381018 7.314325 5.194200 4.796434 4.249059 3.678558 8.411819 7.149152 7.423883 6.980384 6.813618 8.173709 3.758841 4.165778 5.875909 6.308385 7.966208 8.291906 0.000000 C17H22ClN3O 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 0 297.6543999999998 AuxInfo=1/0/N:13,14,17,18,19,20,10,9,12,11,21,16,15,8,22,7,6,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,11.3,12.3,13.3,15.3,19.2,20.2/rA:44ClONN2N2CCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s3s6;s8;s7;s7;s12;s3s5;s15;s15;s17;s18;s4s5;s1s19s20;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s13;s14;s14;s14;s2;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3899740 0.1447314 0.1189873 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= 640 638 638 639 640 MxSgAt= 44 MxSgA2= 44. 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 646 A 624 A 624 985 646 85 85 1972.6458418314 44 44 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0548833862 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 646 A 624 A 624 985 646 85 85 1954.6532993581 44 44 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0533518021 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 646 A 624 A 624 985 646 85 85 1969.1344324505 44 44 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0546205866 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 646 A 624 A 624 985 646 85 85 1970.8975410417 44 44 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0547696561 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 646 A 624 A 624 985 646 85 85 1972.1649709529 44 44 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0548390989 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 646 A 624 A 624 985 646 85 85 1970.9863805149 44 44 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0547341264 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 646 A 624 A 624 985 646 85 85 1971.2657155997 44 44 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0547508506 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 646 A 624 A 624 985 646 85 85 1971.4106418021 44 44 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0547668328 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 646 A 624 A 624 985 646 85 85 1971.5401555783 44 44 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0547772078 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 646 A 624 A 624 985 646 85 85 1971.6239518024 44 44 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0547828842 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 646 A 624 A 624 985 646 85 85 1971.6205698121 44 44 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0547839428 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 646 A 624 A 624 985 646 85 85 1971.6091279274 44 44 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0547832859 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 646 A 624 A 624 985 646 85 85 1971.6070856410 44 44 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0547836432 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= 624 RedAO= T EigKep= 1.53D-06 NBF= 624 NBsUse= 621 1.00D-06 EigRej= 9.97D-07 NBFU= 621 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= 639 638 638 638 639 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 1 1 -1360.41326849502 -1359.95290492654 0.460363568482 -1361.01775351121 -1.064848584669 -1361.02563652905 -0.007883017841 -1361.04157183441 -0.015935305361 -1361.04239714394 -0.000825309537 -1361.04247313316 -0.000075989219 -1361.04248202860 -0.000008895438 -1361.04248243317 -0.000000404567 -1361.04248252765 -0.000000094482 -1361.04248253250 -0.000000004847 -1361.04248253360 -0.000000001104 -1361.04248253386 -0.000000000255 -1361.04248253379 0.000000000064 -1361.04248253376 0.000000000031 -1361.04248253 15 1.356607073175e+03 -7.155448652132e+03 2.454098041032e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830302963 LenY= 2829885001 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. 8.90619650e-01 -5.61801766e-01 -8.19303791e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 17 8 7 7 7 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 0.009897455 0.010545964 0.002536957 -0.002808297 -0.003437036 0.011989253 -0.006327945 0.008013770 -0.005811750 -0.006081744 -0.000536616 0.018434944 0.011529973 -0.008436850 -0.006034171 0.000717763 0.003363109 -0.008682001 -0.003828078 0.001063647 -0.000252804 0.002629234 0.001524065 0.003085408 -0.002084222 0.003956945 -0.004540166 0.002651574 0.003618349 -0.003533674 -0.005977213 0.000942707 -0.004490707 0.001521864 -0.004025278 -0.000244562 -0.001564899 0.003339203 0.004573502 -0.004153581 -0.001976511 -0.001473967 -0.000071134 -0.002148783 -0.000176910 -0.000453798 0.005616824 -0.016432020 -0.002730684 -0.002028273 0.004278817 -0.000670927 -0.001663013 -0.005109733 0.000074558 0.001071901 0.005389201 0.002218560 0.001331689 -0.004871197 0.008397922 -0.011259286 0.010364035 -0.004312627 -0.004385128 -0.001073666 -0.000767850 -0.001468551 -0.000074218 -0.000551122 0.000755649 0.000429081 -0.000294013 -0.000428319 -0.000602964 0.000589849 -0.000800298 -0.000563277 0.000661743 0.000743207 0.000387301 0.000589900 0.000559463 0.000356595 0.000433734 0.000000263 0.001571390 -0.000772333 -0.000401786 -0.000452128 -0.000764334 -0.000758937 0.000445419 -0.001214718 0.001148192 -0.000758536 0.000537300 -0.002126819 0.000698825 0.001472438 0.000044894 0.000002208 0.000583754 -0.000545623 -0.001132553 0.000191121 -0.001044302 0.001448346 -0.000978561 0.001478787 -0.000103907 0.001396239 -0.002318867 -0.000154099 -0.000266603 0.000414854 0.000010149 -0.000762872 -0.000486045 0.000777077 -0.000239598 -0.000398124 -0.001059398 0.000546412 0.000712788 0.000867261 0.000865307 0.000741377 -0.000511021 0.000170456 -0.000313200 0.000493663 0.018434944 0.004154741 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1361.04556195975 -1361.04556342401 -0.000001464264 -1361.04556343243 -0.000000008414 -1361.04556343951 -0.000000007082 -1361.04556344049 -0.000000000980 -1361.04556344075 -0.000000000266 -1361.04556344075 0.000000000001 -1361.04556344077 -0.000000000013 -1361.04556344 8 1.356011506854e+03 -7.130726596004e+03 2.442117223712e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830302963 LenY= 2829885001 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) PT123039.900S Mon Jul 26 19:50:25 2021 9.93729964e-01 -5.46602684e-01 -8.55624469e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1361.0455634 6.239E-9 7.019E-6 -3.0800792,-5.7873796,8.8674588,-2.5886949,4.3912592,-2.0896395 C01 [X(C17H22Cl1N3O1)] -1.0813312 0.0239793 -0.9211486 0.000011054 0.000010826 0.000000875 -0.000008429 -0.000001751 0.000010612 0.000026070 -0.000004854 -0.000010042 0.000013293 -0.000009077 0.000005311 0.000002086 0.000011460 0.000002357 0.000002181 0.000012569 -0.000016006 0.000006226 -0.000008130 0.000004089 -0.000016364 -0.000009108 -0.000005236 -0.000004766 -0.000001774 0.000003493 0.000002678 0.000002779 0.000008985 -0.000001674 0.000010823 0.000015981 0.000002235 -0.000000432 0.000007735 0.000002942 -0.000009914 0.000002081 0.000004243 0.000001800 0.000003255 0.000001297 -0.000000441 0.000003696 -0.000015851 -0.000011498 0.000016913 -0.000002975 -0.000008674 -0.000003141 -0.000002071 0.000002118 -0.000005011 0.000012357 0.000013712 0.000003540 0.000008809 0.000007780 -0.000005217 -0.000022234 0.000012191 -0.000013928 -0.000018343 -0.000018203 -0.000000846 0.000002418 0.000002509 0.000000485 -0.000002091 0.000000560 -0.000001973 -0.000001410 0.000004014 -0.000002662 0.000000593 -0.000000361 -0.000002686 0.000002008 -0.000000533 -0.000004342 -0.000001768 -0.000000764 -0.000002096 -0.000001072 -0.000001565 -0.000005567 0.000000135 -0.000006160 -0.000004330 -0.000000331 0.000001879 -0.000001795 -0.000000006 0.000003098 0.000002640 -0.000001704 0.000003948 0.000000480 0.000000599 0.000004377 -0.000000552 -0.000003074 -0.000000552 0.000001404 -0.000001689 -0.000000760 -0.000000247 -0.000000244 0.000000318 -0.000001362 0.000006674 -0.000005447 0.000000482 0.000002281 -0.000000544 -0.000003220 -0.000001082 -0.000001396 -0.000000957 -0.000001424 -0.000001911 -0.000001319 -0.000000180 -0.000001686 -0.000002417 -0.000001736 -0.000001165 -0.000000192 0.000000337 -0.000000061 0.000000730 297.6543999999998 AuxInfo=1/0/N:13,14,17,18,19,20,10,9,12,11,21,16,15,8,22,7,6,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,11.3,12.3,13.3,15.3,19.2,20.2/rA:44ClONN2N2CCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s3s6;s8;s7;s7;s12;s3s5;s15;s15;s17;s18;s4s5;s1s19s20;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s13;s14;s14;s14;s2;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 GINC-DEPAZ12 PAULAPLA Optimization metconazole_trans CONF14 gas EM64L-G16RevC.01 126 C1[X(C17H22ClN3O)] 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 0 297.6543999999998 AuxInfo=1/0/N:13,14,17,18,19,20,10,9,12,11,21,16,15,8,22,7,6,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,11.3,12.3,13.3,15.3,19.2,20.2/rA:44ClONN2N2CCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s3s6;s8;s7;s7;s12;s3s5;s15;s15;s17;s18;s4s5;s1s19s20;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s13;s14;s14;s14;s2;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Optimization metconazole_trans CONF14 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 35 16 14 14 14 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 34.9688527 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 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 3 0 2 2 2 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 14.2400000 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 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/metconazole_trans/gas/CONF14/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 1 2 2 3 3 3 4 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 12 12 12 13 13 13 14 14 14 15 15 16 17 17 18 18 19 19 20 20 21 22 6 38 4 11 16 21 16 21 7 8 11 9 13 14 10 12 23 10 24 25 26 27 28 29 15 30 31 32 33 34 35 36 37 17 18 39 19 40 20 41 22 42 22 43 44 1.7616 1.4202 0.9712 1.3574 1.4618 1.3479 1.3255 1.3229 1.3573 1.5771 1.5548 1.5485 1.5539 1.5438 1.5361 1.5388 1.5382 1.0927 1.5538 1.0921 1.0941 1.0958 1.091 1.0907 1.0895 1.5123 1.0918 1.0933 1.0937 1.0904 1.0912 1.093 1.0937 1.0935 1.3995 1.397 1.0793 1.3918 1.0854 1.394 1.085 1.392 1.0826 1.39 1.0826 1.079 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 6 4 4 11 3 16 2 2 2 7 7 8 6 6 6 9 9 13 6 6 6 10 10 12 7 7 7 10 10 24 8 8 8 9 9 26 3 3 3 6 6 28 8 8 8 15 15 30 7 7 7 32 32 33 7 7 7 35 35 36 12 12 17 3 3 5 15 15 19 15 15 20 17 17 22 18 18 22 4 4 5 1 1 19 2 3 3 3 4 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 38 11 16 16 21 21 7 8 11 8 11 11 9 13 14 13 14 14 10 12 23 12 23 23 10 24 25 24 25 25 9 26 27 26 27 27 6 28 29 28 29 29 15 30 31 30 31 31 32 33 34 33 34 34 35 36 37 36 37 37 17 18 18 5 39 39 19 40 40 20 41 41 22 42 42 22 43 43 5 44 44 19 20 20 108.5543 121.2416 109.0877 129.6631 102.943 102.8279 109.5042 112.5521 109.1645 101.6356 109.1872 114.4709 102.8252 109.7914 114.1345 110.3803 112.363 107.3293 104.2839 119.102 103.4951 114.8507 108.5699 105.667 107.0216 110.496 110.4326 112.1927 110.4912 106.2516 105.7929 109.9569 111.3826 110.6234 112.8992 106.2376 114.565 106.6518 107.2411 111.1101 108.4137 108.6613 111.3618 110.7767 109.2314 108.971 109.3079 107.0872 109.0558 110.8061 112.7539 108.763 107.3937 107.9417 112.9457 110.7443 109.771 108.6262 106.8177 107.732 120.4245 121.4364 118.1106 110.5773 122.8962 126.5256 121.406 119.4667 119.127 121.4116 119.5862 119.0019 119.0497 120.8889 120.061 119.0467 120.8616 120.0916 114.5612 121.7934 123.6452 119.4822 119.5426 120.9749 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 38 38 38 11 16 4 4 4 16 16 16 4 4 11 11 3 3 21 21 16 16 2 2 2 8 8 8 11 11 11 2 2 2 7 7 7 11 11 11 2 2 2 7 7 7 8 8 8 6 6 6 13 13 13 14 14 14 6 6 6 9 9 9 14 14 14 6 6 6 9 9 9 13 13 13 6 6 6 12 12 12 23 23 23 6 6 6 10 10 10 23 23 23 7 7 7 24 24 24 25 25 25 8 8 30 30 31 31 12 12 18 18 12 12 17 17 15 15 40 40 15 15 41 41 17 17 42 42 18 18 43 43 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 12 12 12 12 12 12 15 15 15 15 15 15 15 15 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 6 6 6 4 4 11 11 11 11 11 11 16 16 16 16 21 21 16 16 21 21 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 11 11 11 11 11 11 11 11 11 9 9 9 9 9 9 9 9 9 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 10 10 10 10 10 10 10 10 10 15 15 15 15 15 15 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 22 22 22 22 22 22 22 22 7 8 11 21 21 6 28 29 6 28 29 5 39 5 39 5 44 3 39 4 44 9 13 14 9 13 14 9 13 14 10 12 23 10 12 23 10 12 23 3 28 29 3 28 29 3 28 29 10 24 25 10 24 25 10 24 25 32 33 34 32 33 34 32 33 34 35 36 37 35 36 37 35 36 37 9 26 27 9 26 27 9 26 27 15 30 31 15 30 31 15 30 31 8 26 27 8 26 27 8 26 27 17 18 17 18 17 18 19 40 19 40 20 41 20 41 22 42 22 42 22 43 22 43 1 20 1 20 1 19 1 19 162.4612 -85.2811 42.9746 179.62 0.5323 51.1205 174.4912 -69.2445 -129.9995 -6.6287 109.6356 -0.4481 179.8781 -179.4348 0.8913 -0.4639 179.6629 0.1527 179.8119 0.2072 -179.9223 159.3422 41.8579 -78.6804 40.1104 -77.3739 162.0878 -81.1853 161.3304 40.7921 -158.7091 71.6451 -45.1902 -41.6687 -171.3145 71.8503 75.8724 -53.7734 -170.6086 -63.6558 175.3996 56.0571 176.6617 55.7171 -63.6255 63.5205 -57.4242 -176.7667 -24.1237 -146.5464 96.1899 92.9429 -29.4797 -146.7435 -147.2925 90.2849 -26.9789 178.755 -61.5557 59.5569 66.0893 -174.2215 -53.1088 -56.6693 63.02 -175.8674 -65.6278 56.4606 175.2912 50.9462 173.0346 -68.1347 172.4698 -65.4418 53.3888 26.9562 -92.5245 149.9816 159.1012 39.6205 -77.8733 -82.8943 157.625 40.1312 -166.5589 71.9919 -45.7307 68.7612 -52.6881 -170.4107 -50.8687 -172.318 69.9594 -1.405 117.6359 -123.4633 119.952 -121.0071 -2.1063 -121.6811 -2.6402 116.2605 76.2075 -101.8131 -161.2975 20.682 -44.5759 137.4036 -177.9979 2.1926 0.0873 -179.7222 177.9248 -2.2312 -0.14 179.704 0.1011 -179.6861 179.9113 0.1241 0.0028 179.8653 -179.8421 0.0204 179.9651 -0.2439 -0.2459 179.5451 179.9838 0.193 0.1203 -179.6706 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00071 0.00201 0.00263 0.00329 0.00401 0.00499 0.00661 0.00889 0.01106 0.01564 0.01720 0.01747 0.01813 0.02019 0.02037 0.02121 0.02234 0.02386 0.02541 0.02597 0.02824 0.02882 0.03559 0.03675 0.03913 0.04065 0.04218 0.04274 0.04365 0.04430 0.04527 0.04555 0.04580 0.04667 0.04675 0.04831 0.05115 0.05492 0.05567 0.05775 0.06127 0.06361 0.06588 0.06879 0.07241 0.07538 0.07876 0.08494 0.08686 0.09253 0.09773 0.10874 0.11286 0.11553 0.11616 0.11724 0.11838 0.11943 0.12334 0.12623 0.12732 0.13732 0.14490 0.15032 0.15752 0.15860 0.16049 0.17094 0.17836 0.18027 0.18779 0.19137 0.19521 0.19599 0.20242 0.20427 0.22201 0.22642 0.22824 0.23758 0.24315 0.25259 0.26027 0.26150 0.26366 0.26852 0.27094 0.28048 0.29248 0.31053 0.31383 0.32062 0.32223 0.32632 0.32997 0.33127 0.33223 0.33281 0.33428 0.33524 0.33826 0.33942 0.33973 0.34053 0.34116 0.34632 0.34772 0.35199 0.35500 0.35938 0.36117 0.36532 0.36909 0.37146 0.38449 0.40943 0.41018 0.41874 0.45517 0.46280 0.46346 0.48362 0.50428 0.50820 0.54574 0.60129 Angle between quadratic step and forces= 78.65 degrees. 1 2 0.00049076 0.00000017 0.00000010 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 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 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 3.32891 2.68381 1.83535 2.56511 2.76237 2.54719 2.50487 2.49995 2.56500 2.98031 2.93817 2.92618 2.93652 2.91736 2.90289 2.90792 2.90671 2.06488 2.93617 2.06382 2.06751 2.07082 2.06164 2.06106 2.05885 2.85788 2.06325 2.06601 2.06677 2.06057 2.06206 2.06538 2.06687 2.06643 2.64464 2.63995 2.03960 2.63020 2.05111 2.63434 2.05033 2.63044 2.04583 2.62674 2.04581 2.03898 1.89463 2.11607 1.90394 2.26305 1.79669 1.79469 1.91121 1.96440 1.90528 1.77388 1.90568 1.99789 1.79464 1.91622 1.99202 1.92650 1.96110 1.87325 1.82010 2.07872 1.80633 2.00452 1.89490 1.84424 1.86788 1.92852 1.92741 1.95813 1.92844 1.85444 1.84643 1.91911 1.94399 1.93074 1.97046 1.85420 1.99954 1.86143 1.87171 1.93924 1.89218 1.89650 1.94363 1.93342 1.90645 1.90190 1.90778 1.86902 1.90338 1.93393 1.96793 1.89827 1.87437 1.88394 1.97128 1.93285 1.91587 1.89588 1.86432 1.88028 2.10180 2.11946 2.06142 1.92994 2.14494 2.20829 2.11893 2.08509 2.07916 2.11903 2.08717 2.07698 2.07781 2.10991 2.09546 2.07776 2.10943 2.09599 1.99947 2.12570 2.15802 2.08536 2.08641 2.11141 2.83548 -1.48844 0.75005 3.13496 0.00929 0.89222 3.04545 -1.20854 -2.26892 -0.11569 1.91350 -0.00782 3.13946 -3.13173 0.01556 -0.00810 3.13571 0.00266 3.13831 0.00362 -3.14024 2.78105 0.73056 -1.37323 0.70006 -1.35043 2.82897 -1.41695 2.81575 0.71196 -2.77000 1.25044 -0.78872 -0.72726 -2.99000 1.25402 1.32422 -0.93852 -2.97768 -1.11100 3.06130 0.97838 3.08333 0.97245 -1.11047 1.10864 -1.00224 -3.08516 -0.42104 -2.55772 1.67883 1.62216 -0.51452 -2.56116 -2.57074 1.57577 -0.47087 3.11986 -1.07435 1.03946 1.15348 -3.04074 -0.92692 -0.98907 1.09991 -3.06946 -1.14542 0.98542 3.05941 0.88918 3.02002 -1.18918 3.01017 -1.14217 0.93181 0.47047 -1.61486 2.61767 2.77684 0.69151 -1.35915 -1.44678 2.75108 0.70042 -2.90700 1.25650 -0.79815 1.20011 -0.91958 -2.97423 -0.88783 -3.00752 1.22102 -0.02452 2.05313 -2.15484 2.09356 -2.11197 -0.03676 -2.12374 -0.04608 2.02913 1.33007 -1.77697 -2.81517 0.36097 -0.77800 2.39815 -3.10665 0.03827 0.00152 -3.13674 3.10537 -0.03894 -0.00244 3.13643 0.00176 -3.13611 3.14004 0.00217 0.00005 3.13924 -3.13884 0.00036 3.14098 -0.00426 -0.00429 3.13365 3.14131 0.00337 0.00210 -3.13584 0.00002 0.00001 0.00001 -0.00000 0.00001 -0.00001 -0.00002 -0.00001 -0.00001 -0.00000 -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 0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00001 0.00000 0.00001 0.00000 -0.00000 -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 0.00001 -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 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00009 0.00005 0.00002 0.00002 0.00003 -0.00004 -0.00004 -0.00001 -0.00001 -0.00004 -0.00004 -0.00005 0.00003 0.00000 -0.00000 -0.00002 0.00004 0.00001 0.00001 0.00000 0.00000 0.00001 -0.00000 0.00001 0.00000 0.00000 0.00002 -0.00002 0.00001 -0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00001 0.00002 0.00001 0.00004 0.00000 0.00000 0.00000 -0.00003 -0.00001 0.00001 -0.00001 0.00000 -0.00004 0.00001 0.00000 -0.00002 -0.00002 -0.00002 -0.00001 0.00003 -0.00001 0.00001 0.00002 -0.00004 0.00002 0.00000 0.00003 -0.00003 -0.00004 0.00001 -0.00003 0.00000 0.00006 0.00002 -0.00001 -0.00004 -0.00000 -0.00001 0.00005 -0.00001 0.00001 -0.00004 -0.00003 -0.00002 0.00006 -0.00002 0.00003 -0.00003 0.00001 -0.00002 0.00000 0.00000 0.00006 -0.00005 -0.00002 0.00001 -0.00002 0.00004 -0.00000 -0.00001 0.00000 0.00005 -0.00001 -0.00002 -0.00004 0.00002 0.00002 0.00004 -0.00002 -0.00002 -0.00003 0.00001 -0.00002 -0.00000 0.00001 0.00001 0.00003 -0.00004 0.00000 -0.00002 0.00002 -0.00001 -0.00001 0.00002 -0.00003 -0.00000 0.00003 -0.00002 0.00001 0.00001 0.00002 -0.00001 -0.00001 -0.00001 -0.00003 0.00005 0.00024 0.00027 0.00022 -0.00017 0.00004 -0.00015 -0.00016 -0.00023 -0.00041 -0.00041 -0.00049 -0.00009 0.00002 0.00015 0.00025 0.00002 -0.00004 0.00010 -0.00001 -0.00008 -0.00001 -0.00005 -0.00003 -0.00006 -0.00009 -0.00008 -0.00011 -0.00006 -0.00004 -0.00007 -0.00013 -0.00014 -0.00014 -0.00012 -0.00012 -0.00012 -0.00011 -0.00011 -0.00011 -0.00005 -0.00003 0.00000 -0.00004 -0.00002 0.00001 -0.00005 -0.00003 0.00000 0.00028 0.00030 0.00032 0.00028 0.00030 0.00032 0.00024 0.00027 0.00029 -0.00006 -0.00006 -0.00000 -0.00007 -0.00007 -0.00002 -0.00002 -0.00002 0.00004 0.00014 0.00016 0.00018 0.00017 0.00018 0.00021 0.00012 0.00013 0.00016 0.00028 0.00033 0.00034 0.00027 0.00032 0.00033 0.00023 0.00028 0.00029 -0.00004 -0.00008 -0.00006 -0.00002 -0.00006 -0.00004 0.00002 -0.00003 -0.00001 -0.00035 -0.00040 -0.00042 -0.00037 -0.00042 -0.00045 -0.00042 -0.00047 -0.00049 0.00092 0.00101 0.00095 0.00104 0.00095 0.00105 0.00008 0.00005 -0.00000 -0.00004 -0.00008 -0.00010 0.00001 -0.00001 -0.00000 0.00000 0.00003 0.00003 -0.00001 -0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00009 0.00005 0.00002 0.00002 0.00003 -0.00004 -0.00004 -0.00001 -0.00001 -0.00004 -0.00004 -0.00005 0.00003 0.00000 -0.00000 -0.00002 0.00004 0.00001 0.00001 0.00000 0.00000 0.00001 -0.00000 0.00001 0.00000 0.00000 0.00002 -0.00002 0.00001 -0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00001 0.00002 0.00001 0.00004 0.00000 0.00000 0.00000 -0.00003 -0.00001 0.00001 -0.00001 0.00000 -0.00004 0.00001 0.00000 -0.00002 -0.00002 -0.00002 -0.00001 0.00003 -0.00001 0.00001 0.00002 -0.00004 0.00002 0.00000 0.00003 -0.00003 -0.00004 0.00001 -0.00003 0.00000 0.00006 0.00002 -0.00001 -0.00004 -0.00000 -0.00001 0.00005 -0.00001 0.00001 -0.00004 -0.00003 -0.00002 0.00006 -0.00002 0.00003 -0.00003 0.00001 -0.00002 0.00000 0.00000 0.00006 -0.00005 -0.00002 0.00001 -0.00002 0.00004 -0.00000 -0.00001 0.00000 0.00005 -0.00001 -0.00002 -0.00004 0.00002 0.00002 0.00004 -0.00002 -0.00002 -0.00003 0.00001 -0.00002 -0.00000 0.00001 0.00001 0.00003 -0.00004 0.00000 -0.00002 0.00002 -0.00001 -0.00001 0.00002 -0.00003 -0.00000 0.00003 -0.00002 0.00001 0.00001 0.00002 -0.00001 -0.00001 -0.00001 -0.00003 0.00005 0.00024 0.00027 0.00022 -0.00017 0.00004 -0.00015 -0.00016 -0.00023 -0.00041 -0.00041 -0.00049 -0.00009 0.00002 0.00015 0.00025 0.00002 -0.00004 0.00010 -0.00001 -0.00008 -0.00001 -0.00005 -0.00003 -0.00006 -0.00009 -0.00008 -0.00011 -0.00006 -0.00004 -0.00007 -0.00013 -0.00014 -0.00014 -0.00012 -0.00012 -0.00012 -0.00011 -0.00011 -0.00011 -0.00005 -0.00003 0.00000 -0.00004 -0.00002 0.00001 -0.00005 -0.00003 0.00000 0.00028 0.00030 0.00032 0.00028 0.00030 0.00032 0.00024 0.00027 0.00029 -0.00006 -0.00006 -0.00000 -0.00007 -0.00007 -0.00002 -0.00002 -0.00002 0.00004 0.00014 0.00016 0.00018 0.00017 0.00018 0.00021 0.00012 0.00013 0.00016 0.00028 0.00033 0.00034 0.00027 0.00032 0.00033 0.00023 0.00028 0.00029 -0.00004 -0.00008 -0.00006 -0.00002 -0.00006 -0.00004 0.00002 -0.00003 -0.00001 -0.00035 -0.00040 -0.00042 -0.00037 -0.00042 -0.00045 -0.00042 -0.00047 -0.00049 0.00092 0.00101 0.00095 0.00104 0.00095 0.00105 0.00008 0.00005 -0.00000 -0.00004 -0.00008 -0.00010 0.00001 -0.00001 -0.00000 0.00000 0.00003 0.00003 -0.00001 -0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00000 -0.00001 -0.00000 -0.00000 0.00000 3.32899 2.68385 1.83536 2.56513 2.76240 2.54716 2.50483 2.49994 2.56499 2.98027 2.93813 2.92613 2.93656 2.91736 2.90289 2.90790 2.90674 2.06490 2.93619 2.06382 2.06752 2.07083 2.06164 2.06107 2.05885 2.85788 2.06327 2.06599 2.06678 2.06056 2.06207 2.06538 2.06687 2.06644 2.64462 2.63997 2.03961 2.63024 2.05111 2.63435 2.05033 2.63042 2.04583 2.62674 2.04580 2.03898 1.89459 2.11608 1.90394 2.26303 1.79668 1.79467 1.91120 1.96444 1.90527 1.77389 1.90570 1.99785 1.79466 1.91622 1.99205 1.92647 1.96107 1.87326 1.82007 2.07873 1.80639 2.00454 1.89489 1.84420 1.86788 1.92850 1.92746 1.95812 1.92845 1.85440 1.84641 1.91909 1.94405 1.93072 1.97050 1.85417 1.99955 1.86140 1.87171 1.93924 1.89223 1.89644 1.94361 1.93343 1.90643 1.90195 1.90778 1.86901 1.90338 1.93398 1.96792 1.89825 1.87433 1.88396 1.97129 1.93289 1.91585 1.89586 1.86429 1.88029 2.10179 2.11946 2.06143 1.92995 2.14497 2.20825 2.11893 2.08507 2.07918 2.11903 2.08716 2.07700 2.07778 2.10991 2.09549 2.07773 2.10944 2.09601 1.99949 2.12568 2.15801 2.08534 2.08638 2.11146 2.83572 -1.48817 0.75027 3.13479 0.00933 0.89207 3.04529 -1.20877 -2.26933 -0.11611 1.91301 -0.00791 3.13948 -3.13158 0.01581 -0.00807 3.13567 0.00276 3.13830 0.00354 -3.14025 2.78099 0.73052 -1.37330 0.69996 -1.35051 2.82886 -1.41701 2.81570 0.71189 -2.77013 1.25031 -0.78885 -0.72738 -2.99012 1.25390 1.32412 -0.93863 -2.97779 -1.11105 3.06127 0.97838 3.08329 0.97243 -1.11047 1.10860 -1.00227 -3.08516 -0.42076 -2.55742 1.67915 1.62244 -0.51422 -2.56083 -2.57049 1.57603 -0.47058 3.11981 -1.07441 1.03946 1.15340 -3.04081 -0.92694 -0.98908 1.09989 -3.06942 -1.14528 0.98558 3.05959 0.88935 3.02021 -1.18897 3.01028 -1.14204 0.93197 0.47075 -1.61453 2.61801 2.77711 0.69183 -1.35881 -1.44655 2.75135 0.70071 -2.90704 1.25641 -0.79822 1.20009 -0.91964 -2.97427 -0.88781 -3.00755 1.22101 -0.02487 2.05273 -2.15527 2.09319 -2.11240 -0.03721 -2.12415 -0.04655 2.02864 1.33099 -1.77596 -2.81423 0.36201 -0.77704 2.39919 -3.10657 0.03832 0.00152 -3.13678 3.10530 -0.03904 -0.00243 3.13642 0.00176 -3.13611 3.14007 0.00220 0.00004 3.13923 -3.13882 0.00036 3.14100 -0.00425 -0.00429 3.13365 3.14130 0.00337 0.00210 -3.13584 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000019 0.000003 0.002450 0.000491 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -1.645634e-08 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 646 A 624 A 624 985 646 85 85 1971.6070856410 44 44 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0547836432 0.000000 8.703506 0.000000 9.029663 2.976774 0.000000 9.157639 2.824270 1.357400 0.000000 9.301387 4.884081 2.195556 2.257230 0.000000 8.279462 1.420209 2.533093 3.028515 4.609367 0.000000 8.845969 2.449474 3.884950 4.519550 6.028643 1.577112 0.000000 6.752620 2.475520 3.151764 3.648444 4.795033 1.554813 2.427724 0.000000 8.219491 3.691305 4.355952 5.265172 6.299364 2.447456 1.553942 2.466478 0.000000 6.847676 3.706100 3.947797 4.804519 5.566334 2.442537 2.498492 1.538807 1.553755 0.000000 9.147891 2.420457 1.461782 2.457147 3.623178 1.548466 2.547597 2.609554 3.108855 3.133591 0.000000 6.070423 3.244264 3.011168 3.290930 3.966732 2.666407 3.894422 1.538163 3.858054 2.592934 3.197333 0.000000 8.725789 2.762432 5.064833 5.402975 7.156353 2.553310 1.543798 3.047409 2.543410 3.317603 3.883241 4.511956 0.000000 10.368625 3.193706 4.317835 4.988737 6.495472 2.613079 1.536143 3.832937 2.567276 3.808171 2.892432 5.182009 2.481090 0.000000 4.558681 4.471638 4.492598 4.695823 5.125650 3.955583 4.921719 2.519473 4.621029 3.161133 4.657410 1.512327 5.259468 6.349771 0.000000 9.125338 4.288175 1.347918 2.203650 1.322917 3.706073 4.977489 3.980306 5.133864 4.528975 2.543411 3.475016 6.243096 5.400152 4.775027 0.000000 4.022014 4.763727 5.452297 5.394155 6.136018 4.580915 5.450582 3.227966 5.342624 4.040916 5.562757 2.527699 5.398521 6.935514 1.399483 5.908273 0.000000 4.023200 5.677987 5.229373 5.643416 5.589533 4.935362 5.757682 3.466799 5.110468 3.559139 5.418081 2.538213 6.232234 7.148824 1.396999 5.207999 2.398442 0.000000 2.730262 6.107118 6.789043 6.751004 7.327377 5.894633 6.619435 4.474496 6.347533 5.023755 6.892222 3.816266 6.444390 8.138214 2.434305 7.143220 1.391844 2.783355 0.000000 2.729463 6.852273 6.611656 6.955698 6.874061 6.178142 6.877969 4.652623 6.152396 4.642253 6.776633 3.824956 7.164448 8.323668 2.434114 6.572334 2.783307 1.394035 2.421011 0.000000 9.294806 4.104190 2.098938 1.325520 1.357340 4.217689 5.731986 4.561241 6.298483 5.642150 3.504253 3.806152 6.656865 6.220712 5.033054 2.095194 5.795559 5.803184 7.060349 7.068848 0.000000 1.761581 7.019966 7.273210 7.419619 7.636021 6.571087 7.241919 5.050052 6.691436 5.263380 7.402730 4.308920 7.244272 8.753089 2.797100 7.414582 2.399228 2.399389 1.391970 1.390008 7.607338 0.000000 6.429088 2.535463 4.039490 4.280393 5.657804 2.098653 2.649612 1.092689 2.873952 2.152404 3.475430 2.113685 2.657976 4.146132 2.627593 4.961378 2.835831 3.739946 4.018977 4.707674 5.241268 4.806464 0.000000 8.266278 4.438040 5.431328 6.283644 7.367669 3.356186 2.189960 3.224726 1.092126 2.211064 4.173745 4.639230 2.585302 3.071407 5.157694 6.214526 5.712266 5.578444 6.558083 6.441229 7.339049 6.875771 3.335200 0.000000 8.948825 4.316727 4.392986 5.487490 6.268964 2.996918 2.190616 3.222650 1.094080 2.191196 3.122579 4.438640 3.427111 2.612564 5.299235 5.004810 6.188182 5.626226 7.199259 6.718671 6.446315 7.420046 3.838033 1.748867 0.000000 7.028278 4.300920 3.726205 4.768503 5.085213 2.956620 3.226085 2.172524 2.194181 1.095830 3.116937 2.709981 4.294499 4.299490 3.321361 3.995252 4.468785 3.401128 5.417363 4.569076 5.417427 5.444391 3.036154 2.945514 2.323212 0.000000 6.057191 4.479796 4.930165 5.696716 6.393202 3.366935 3.284033 2.186849 2.218906 1.090973 4.205045 3.009353 3.723585 4.656071 3.037921 5.437942 3.747149 3.233077 4.479877 4.055892 6.471162 4.598772 2.390611 2.391080 2.923582 1.749185 0.000000 9.139955 3.369281 2.059145 3.315886 3.911101 2.191762 2.756122 2.858555 2.776563 2.832067 1.090667 3.465926 4.251586 3.050730 4.796825 2.637415 5.865312 5.298927 7.108865 6.646442 4.142461 7.430983 3.845976 3.853622 2.476739 2.530785 3.908995 0.000000 10.175499 2.623681 2.065886 2.787009 4.125622 2.156512 2.780613 3.525185 3.638358 4.021523 1.089497 4.215073 4.053968 2.549179 5.685496 3.143454 6.500157 6.498017 7.849831 7.849799 3.887499 8.431686 4.245957 4.626472 3.540847 4.074386 5.094678 1.771155 0.000000 6.521350 3.814792 2.606930 3.167613 3.250424 3.036701 4.274586 2.179330 4.067671 2.807090 3.032455 1.091823 5.178974 5.389978 2.133724 2.683316 3.393882 2.631084 4.555803 4.016377 3.444992 4.788043 3.034549 4.956253 4.391850 2.482998 3.353694 3.079865 4.095782 0.000000 6.524640 2.920673 2.866437 2.677291 3.660631 2.828366 4.259509 2.160795 4.575971 3.512073 3.332072 1.093285 4.756128 5.440904 2.139108 3.458474 2.723308 3.326953 4.076914 4.508173 3.168308 4.791918 2.497785 5.385237 5.177597 3.700513 3.988407 3.886437 4.210737 1.757502 0.000000 9.307961 3.805691 5.972209 6.406717 8.102120 3.502396 2.163787 3.957570 2.816629 3.886448 4.682111 5.466609 1.093688 2.667459 6.124244 7.111852 6.254986 6.982933 7.191185 7.838969 7.667237 7.919900 3.587415 2.476971 3.572952 4.844076 4.166581 4.895631 4.755853 6.083112 5.799971 0.000000 9.282009 2.454383 5.155097 5.250488 7.225163 2.806602 2.183617 3.570955 3.496781 4.177256 4.090470 4.885839 1.090406 2.745702 5.725946 6.435232 5.740091 6.842718 6.841680 7.799209 6.545226 7.785018 3.122548 3.654889 4.297120 5.108743 4.653290 4.684939 4.075954 5.600768 4.888244 1.775479 0.000000 7.736350 3.026006 5.317826 5.589835 7.262482 2.819705 2.208423 2.747560 2.767617 3.085468 4.308029 4.109482 1.091196 3.461128 4.580905 6.425600 4.545973 5.561540 5.487682 6.362641 6.760902 6.317067 2.038745 2.699053 3.815707 4.159312 3.220174 4.655370 4.700306 4.918989 4.405576 1.760790 1.764301 0.000000 10.722110 3.738507 4.046749 4.921825 6.122781 2.947171 2.205305 4.144984 2.788514 3.954067 2.650729 5.343791 3.462984 1.092952 6.589299 4.948920 7.360663 7.252749 8.582471 8.490578 6.040721 9.076768 4.696609 3.449562 2.407959 4.167595 4.897903 2.537605 2.219601 5.328181 5.661435 3.656550 3.788112 4.350604 0.000000 10.882010 2.928283 4.361879 4.773950 6.511620 2.843865 2.178581 4.268436 3.514763 4.580807 3.097807 5.510054 2.765066 1.093743 6.757068 5.556362 7.237460 7.697732 8.496623 8.896935 6.050062 9.239828 4.489605 4.034911 3.654286 5.098750 5.448607 3.561905 2.482663 5.778207 5.555144 3.072586 2.579619 3.788863 1.776071 0.000000 10.824249 4.100406 5.389601 6.073932 7.561442 3.548174 2.166082 4.580036 2.873842 4.327708 3.946718 6.024172 2.649397 1.093509 7.063263 6.433568 7.579475 7.805878 8.695041 8.895942 7.309585 9.286492 4.757812 2.998201 2.885683 4.886399 5.017221 3.971127 3.619891 6.277621 6.356785 2.367157 3.006478 3.660234 1.755531 1.766513 0.000000 8.800507 0.971224 2.504946 1.991930 4.163564 1.959104 3.279755 2.846108 4.395020 4.196641 2.454226 3.156397 3.728642 3.919695 4.464073 3.776281 4.806392 5.678717 6.184192 6.892033 3.240077 7.091966 3.055805 5.236667 4.921325 4.615524 5.000147 3.498514 2.676636 3.611919 2.572834 4.774341 3.393888 3.920512 4.284009 3.584986 4.904618 0.000000 9.257052 4.962140 2.135902 3.232134 2.148178 4.117279 5.162248 4.282633 5.035446 4.461006 2.875524 3.889672 6.546458 5.527691 5.070282 1.079311 6.332509 5.253277 7.489498 6.595275 3.152350 7.588394 5.344988 6.090907 4.717473 3.717001 5.345554 2.532336 3.495683 2.946825 4.141105 7.312993 6.884452 6.746344 4.925863 5.855339 6.482484 4.602917 0.000000 4.871710 4.183079 5.343957 5.084016 6.179156 4.307996 5.209068 3.208936 5.403926 4.308255 5.421941 2.723367 4.976442 6.644856 2.151998 5.996921 1.085402 3.384789 2.141493 3.868682 5.609511 3.380347 2.603520 5.784619 6.318987 4.887963 4.166213 5.907090 6.245576 3.737883 2.572666 5.890684 5.132948 4.146368 7.177813 6.800880 7.301386 4.224864 6.563056 0.000000 4.871186 5.881590 4.933227 5.549725 5.173176 4.961644 5.772226 3.629841 4.989157 3.469316 5.156952 2.743797 6.490380 7.040273 2.150705 4.699284 3.385594 1.084986 3.868298 2.141769 5.626562 3.378932 4.173981 5.548462 5.300364 2.982349 3.310114 4.860783 6.245024 2.403330 3.628349 7.207891 7.153811 5.963307 6.981884 7.654012 7.718702 5.850650 4.556170 4.286900 0.000000 2.864047 6.598869 7.591744 7.427463 8.163498 6.562076 7.229029 5.232849 7.076889 5.863204 7.670253 4.684681 6.846756 8.742464 3.416876 8.034729 2.157870 3.865934 1.082609 3.398866 7.769874 2.149270 4.609430 7.205358 7.997364 6.364164 5.296236 7.971078 8.570519 5.509335 4.796540 7.561522 7.149404 5.838099 9.282367 9.030565 9.254259 6.696901 8.450295 2.476019 4.950849 0.000000 2.864059 7.786664 7.308282 7.754164 7.432038 7.007453 7.642904 5.499805 6.762869 5.275145 7.484317 4.696420 8.013020 9.044706 3.416117 7.118840 3.865882 2.159549 3.399377 1.082594 7.783249 2.147816 5.646040 7.014158 7.216817 5.047833 4.650024 7.228470 8.569142 4.706933 5.436839 8.625026 8.713168 7.240585 9.129708 9.687770 9.584626 7.824890 7.006199 4.951238 2.475490 4.288293 0.000000 9.595149 4.699940 3.138287 2.104338 2.151611 5.048471 6.585635 5.349349 7.239789 6.545067 4.488081 4.487536 7.369125 7.087393 5.562145 3.137727 6.146603 6.380470 7.351651 7.552273 1.078981 7.969941 5.896588 8.253030 7.456674 6.381018 7.314325 5.194200 4.796434 4.249059 3.678558 8.411819 7.149152 7.423883 6.980384 6.813618 8.173709 3.758841 4.165778 5.875909 6.308385 7.966208 8.291906 0.000000 C17H22ClN3O 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 0 297.6543999999998 AuxInfo=1/0/N:13,14,17,18,19,20,10,9,12,11,21,16,15,8,22,7,6,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,11.3,12.3,13.3,15.3,19.2,20.2/rA:44ClONN2N2CCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s3s6;s8;s7;s7;s12;s3s5;s15;s15;s17;s18;s4s5;s1s19s20;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s13;s14;s14;s14;s2;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3899740 0.1447314 0.1189873 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= 624 RedAO= T EigKep= 1.53D-06 NBF= 624 NBsUse= 621 1.00D-06 EigRej= 9.97D-07 NBFU= 621 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= 639 638 638 638 639 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 1 1 -1361.04556344074 -1361.04556344 1 1.356011506708e+03 -7.130726598345e+03 2.442117226198e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830302963 LenY= 2829885001 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Using compressed storage, NAtomX= 44. Will process 45 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 13610 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 2831155200 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 820000000 NMat= 132 IRICut= 330 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 0 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 132 NMatS0= 132 NMatT0= 0 NMatD0= 132 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 79.92% of shell-pairs survive, threshold= 0.20 IRatSp=80. There are 135 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 132 vectors produced by pass 0 Test12= 4.56D-14 1.00D-09 XBig12= 2.24D+02 6.85D+00. AX will form 132 AO Fock derivatives at one time. 132 vectors produced by pass 1 Test12= 4.56D-14 1.00D-09 XBig12= 4.83D+01 1.08D+00. 132 vectors produced by pass 2 Test12= 4.56D-14 1.00D-09 XBig12= 4.73D-01 5.53D-02. 132 vectors produced by pass 3 Test12= 4.56D-14 1.00D-09 XBig12= 2.06D-03 4.34D-03. 132 vectors produced by pass 4 Test12= 4.56D-14 1.00D-09 XBig12= 4.35D-06 2.14D-04. 118 vectors produced by pass 5 Test12= 4.56D-14 1.00D-09 XBig12= 8.03D-09 1.11D-05. 36 vectors produced by pass 6 Test12= 4.56D-14 1.00D-09 XBig12= 1.11D-11 2.94D-07. 3 vectors produced by pass 7 Test12= 4.56D-14 1.00D-09 XBig12= 1.35D-14 6.85D-09. InvSVY: IOpt=1 It= 1 EMax= 1.78D-14 Solved reduced A of dimension 817 with 135 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 229.14 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 271.008 -1.672 215.407 1.348 -6.008 201.013 356.677 3.912 307.810 5.402 -18.785 354.564 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT112008.900S Mon Jul 26 21:47:28 2021 9.93729242e-01 -5.46603229e-01 -8.55624041e-01 2.71007914e+02 -1.67248546e+00 2.15407298e+02 1.34764307e+00 -6.00813007e+00 2.01013473e+02 -1.0944 -0.0019 -0.0012 0.0004 3.6619 5.6680 27.1925 32.6841 40.3897 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 27.1722 32.6814 40.3859 56.3302 73.3660 86.2997 90.1607 125.2656 143.5278 160.1004 205.3103 214.8901 244.9343 262.6190 274.4496 302.3958 309.6296 335.1829 340.7411 357.6642 384.7019 403.8584 405.7233 418.9861 422.2518 444.7252 496.9287 527.4578 556.2136 578.3818 595.8844 614.1565 647.8718 659.1078 667.9060 691.5494 721.7071 743.9288 767.4731 807.2490 821.1830 836.8017 850.4877 857.5111 864.4798 882.9107 901.9632 903.4801 935.0644 956.2623 961.6930 975.4656 979.0739 979.4092 991.1935 1008.9620 1020.9997 1032.3620 1036.9594 1058.8976 1094.4505 1101.0006 1112.0157 1132.7786 1146.3820 1148.9507 1167.2545 1205.4388 1212.2488 1219.4747 1224.6431 1227.9548 1238.6365 1252.7540 1261.4649 1284.1063 1308.3238 1311.6733 1320.0494 1322.3000 1334.8737 1344.1767 1351.9257 1358.8410 1372.4060 1387.1227 1400.6101 1411.9631 1431.5858 1435.2016 1441.5689 1471.5362 1484.4025 1492.2387 1498.0165 1502.1958 1507.7863 1515.8875 1521.5057 1522.8300 1525.5786 1537.6373 1612.5335 1635.7591 3012.0840 3021.4139 3032.1963 3037.0314 3044.5707 3054.6108 3068.1354 3073.5973 3083.3638 3088.9879 3091.8662 3093.6137 3099.0431 3123.2102 3127.6154 3159.0773 3161.8559 3196.0469 3197.1214 3244.3043 3251.4290 3655.6724 4.1788 7.0267 4.1933 4.5099 5.4631 2.2353 4.3142 5.6279 3.8772 7.3023 5.0358 3.0598 1.1955 1.9719 4.2124 4.4741 3.6998 3.1690 1.6001 3.3387 2.4331 3.1648 3.2822 2.9347 3.1480 2.5561 2.9906 2.7581 2.1453 3.1280 1.5453 2.8574 6.8183 4.0117 5.1243 3.5603 3.6971 5.2571 2.3513 1.5971 2.7742 1.2615 2.2398 1.4268 2.2326 2.2782 1.4849 1.8207 2.1318 1.7116 1.3611 4.6259 2.2158 1.4723 2.0546 1.8416 1.5440 3.8638 5.4078 2.1526 1.8967 3.0962 3.0015 1.6936 2.7271 1.5372 1.8581 1.7790 1.1747 1.6841 1.9345 3.0048 2.2562 2.7375 1.5727 1.4505 2.0072 2.7042 1.6206 1.5647 1.5096 1.8138 2.1240 1.4668 1.8674 1.5223 1.2705 1.2861 1.2794 1.4628 2.0141 2.3899 1.2445 1.0631 1.0888 1.0779 1.1313 1.0677 1.1272 2.0448 1.1130 2.9392 6.4887 5.6196 1.0721 1.0357 1.0518 1.0527 1.0600 1.0816 1.0976 1.0642 1.0955 1.0990 1.1012 1.0994 1.0966 1.1016 1.1068 1.0894 1.0892 1.0933 1.0941 1.0973 1.1000 1.0674 0.0018 0.0044 0.0040 0.0084 0.0173 0.0098 0.0207 0.0520 0.0471 0.1103 0.1251 0.0832 0.0423 0.0801 0.1869 0.2411 0.2090 0.2098 0.1095 0.2516 0.2122 0.3041 0.3183 0.3035 0.3307 0.2979 0.4351 0.4521 0.3910 0.6165 0.3233 0.6350 1.6862 1.0268 1.3468 1.0032 1.1346 1.7142 0.8160 0.6132 1.1022 0.5204 0.9545 0.6182 0.9830 1.0464 0.7117 0.8756 1.0982 0.9222 0.7417 2.5934 1.2515 0.8321 1.1893 1.1045 0.9483 2.4262 3.4260 1.4221 1.3386 2.2114 2.1868 1.2804 2.1116 1.1956 1.4916 1.5231 1.0171 1.4756 1.7094 2.6695 2.0394 2.5312 1.4745 1.4092 2.0243 2.7412 1.6638 1.6119 1.5849 1.9309 2.2872 1.5957 2.0723 1.7258 1.4685 1.5107 1.5448 1.7753 2.4661 3.0491 1.6156 1.3948 1.4396 1.4331 1.5154 1.4455 1.5374 2.7938 1.5262 4.0944 9.9409 8.8593 5.7308 5.5709 5.6978 5.7205 5.7892 5.9460 6.0874 5.9232 6.1363 6.1787 6.2022 6.1990 6.2050 6.3312 6.3789 6.4054 6.4156 6.5801 6.5894 6.8048 6.8516 8.4047 0.1836 0.3078 0.2745 0.5792 0.2868 0.3225 0.2591 0.2532 1.1375 0.2135 2.4393 0.3315 0.5159 1.5197 0.3512 0.3117 0.2731 5.5197 1.4089 2.2816 0.2950 1.8575 6.4480 0.0280 2.1670 2.0936 10.1903 4.4645 17.2460 5.2661 74.7887 22.2683 0.2562 1.2806 17.6622 31.9583 2.8987 14.0644 7.5115 0.6297 23.4392 0.2036 16.6320 15.5593 12.2527 0.3777 3.6325 4.8169 2.8930 2.8910 0.6305 9.6334 6.9511 2.1665 1.4219 1.9530 0.4484 30.4669 27.6828 6.1623 25.0482 57.3880 9.7125 24.0551 4.1892 0.9734 30.0934 8.8796 0.3743 23.6773 5.1278 2.3170 4.4241 11.0716 3.6318 6.8754 14.0181 32.0479 0.2287 2.6680 1.8520 0.9321 2.5514 3.2691 9.1803 28.3976 0.1921 14.3770 6.2653 36.7998 10.0491 28.5161 4.3244 1.2436 1.6099 6.0217 19.3257 5.6512 13.6112 65.4961 19.6613 49.9683 0.2926 3.2686 21.2891 24.4613 31.2861 35.9453 9.5279 16.1632 9.3059 23.0856 20.1295 23.0624 9.2915 48.1326 42.6675 20.5311 6.4503 7.2787 11.4039 4.4105 0.6190 1.7315 1.3957 284.0005 -0.00 0.02 -0.09 0.08 0.01 0.01 -0.01 -0.01 -0.04 0.00 0.02 -0.05 -0.04 -0.02 -0.07 0.02 0.00 0.02 0.01 -0.00 0.02 0.01 -0.00 0.08 -0.05 -0.01 0.05 -0.03 0.01 0.08 -0.01 -0.01 -0.02 0.00 -0.01 0.12 0.06 0.01 0.05 -0.00 -0.00 -0.05 0.00 -0.01 0.08 -0.04 -0.02 -0.06 -0.01 -0.20 -0.00 0.01 0.19 0.11 -0.01 -0.20 -0.05 0.01 0.20 0.06 -0.01 0.01 -0.07 0.00 0.01 -0.02 0.04 -0.02 0.09 -0.08 -0.01 0.09 -0.09 -0.05 0.02 -0.04 0.01 0.08 -0.05 0.03 0.10 -0.04 -0.03 -0.02 -0.00 0.00 -0.05 0.01 0.03 0.16 -0.01 -0.05 0.15 0.04 0.00 0.04 0.11 0.01 0.02 0.07 0.01 0.10 -0.04 -0.01 -0.07 0.04 0.00 -0.08 -0.01 -0.00 -0.06 0.07 0.02 -0.00 -0.05 -0.04 -0.05 -0.02 -0.36 -0.02 0.02 0.34 0.18 -0.02 -0.35 -0.12 0.02 0.36 0.09 -0.01 0.02 -0.08 -0.05 0.24 0.08 -0.02 -0.01 0.01 -0.05 -0.00 0.02 -0.11 -0.00 0.02 -0.19 -0.03 0.00 0.04 -0.03 -0.00 0.12 -0.01 0.01 0.05 -0.10 -0.06 0.18 -0.05 -0.02 0.13 -0.11 -0.06 0.03 0.01 0.03 0.01 -0.12 -0.09 0.13 -0.03 -0.00 0.14 0.06 0.07 0.01 -0.11 -0.07 -0.10 -0.02 0.01 0.02 -0.12 -0.07 -0.02 -0.03 -0.04 0.01 -0.03 -0.02 -0.03 0.06 0.00 -0.20 -0.02 0.01 -0.02 0.07 0.01 0.05 -0.11 -0.07 0.24 -0.07 -0.03 0.20 -0.02 0.01 0.12 -0.11 -0.06 0.16 -0.16 -0.09 0.08 0.01 0.03 0.02 0.06 0.08 -0.01 -0.13 -0.11 0.00 -0.09 -0.11 0.19 -0.02 0.01 0.09 -0.01 0.01 0.12 -0.08 -0.04 0.15 0.08 0.08 0.10 0.09 0.09 0.20 0.07 0.08 -0.07 -0.01 0.01 -0.06 -0.03 0.01 0.04 -0.19 -0.09 -0.03 -0.03 -0.04 0.02 -0.03 -0.02 -0.06 0.14 0.03 -0.27 -0.03 0.00 0.01 -0.07 0.09 -0.13 0.01 0.03 0.04 -0.01 0.02 -0.02 0.02 0.01 0.07 -0.01 -0.05 -0.03 0.01 0.01 -0.04 0.00 0.03 -0.01 0.04 -0.10 0.05 0.02 -0.03 0.08 0.07 -0.12 0.05 -0.01 0.06 -0.00 0.04 -0.11 -0.14 0.01 -0.00 -0.03 -0.04 0.15 -0.00 0.03 -0.07 0.10 -0.02 -0.02 0.06 -0.10 -0.08 -0.07 0.14 -0.01 0.07 -0.13 -0.03 -0.06 0.11 0.04 0.00 0.01 -0.03 0.01 -0.02 0.03 -0.06 0.03 -0.14 0.02 0.04 -0.05 0.12 -0.00 0.02 0.17 0.08 -0.10 0.07 0.10 -0.21 0.14 -0.03 0.05 0.03 -0.02 0.15 -0.02 0.04 -0.12 0.01 0.05 -0.12 -0.14 0.01 0.02 -0.22 0.00 0.04 -0.16 0.03 -0.09 0.05 -0.04 0.18 -0.09 -0.05 0.19 -0.04 -0.04 0.16 -0.12 0.01 0.02 0.15 -0.05 -0.01 0.11 -0.18 -0.12 -0.12 0.24 0.00 0.12 -0.23 -0.04 -0.11 0.20 0.09 -0.04 0.03 -0.05 -0.06 0.01 0.04 0.00 0.06 -0.04 -0.03 0.03 -0.00 0.09 -0.01 0.02 0.19 0.09 0.10 -0.02 0.02 -0.03 0.02 0.01 0.02 -0.03 -0.04 0.01 0.01 -0.07 0.05 -0.07 -0.17 0.07 -0.08 0.03 -0.08 -0.04 -0.04 -0.11 0.07 0.04 0.07 0.03 0.06 0.00 -0.04 -0.05 -0.09 0.04 0.09 0.05 -0.01 -0.09 -0.09 -0.08 0.01 -0.06 -0.01 -0.08 -0.05 -0.08 0.02 -0.02 0.22 0.03 0.08 -0.05 -0.02 -0.02 -0.00 0.03 0.08 0.10 -0.10 0.06 -0.03 -0.01 0.03 -0.21 -0.23 0.01 -0.04 -0.26 0.20 -0.19 0.06 -0.07 -0.06 0.01 -0.18 -0.04 -0.12 -0.18 -0.04 0.05 -0.17 0.09 0.04 0.10 0.08 0.09 0.05 0.07 0.02 0.08 -0.01 0.02 -0.04 0.03 0.13 -0.02 0.06 0.05 0.06 0.04 0.06 -0.06 -0.02 0.14 0.04 0.02 -0.13 -0.11 -0.11 0.04 -0.06 0.02 -0.11 -0.05 -0.11 0.06 0.01 0.33 0.01 0.11 -0.07 0.05 -0.01 -0.03 -0.03 0.03 -0.02 0.01 0.01 -0.21 0.03 -0.00 0.29 0.07 -0.10 -0.01 -0.01 0.02 0.02 0.01 -0.02 -0.00 -0.02 0.00 0.01 0.02 -0.02 0.06 0.08 -0.05 -0.00 0.01 0.05 -0.04 -0.05 0.11 0.08 -0.02 -0.03 0.03 0.05 -0.06 -0.04 -0.08 0.07 0.28 0.04 -0.05 -0.08 -0.06 0.06 -0.01 -0.11 0.04 -0.08 -0.04 0.03 -0.01 -0.08 0.02 -0.01 0.06 -0.07 -0.05 -0.03 0.01 -0.00 -0.11 -0.06 -0.05 0.03 0.02 0.02 -0.05 -0.03 0.17 0.14 0.00 0.04 0.14 -0.17 0.05 -0.01 0.05 -0.01 0.02 0.10 -0.03 0.04 0.18 -0.07 -0.14 0.17 0.08 -0.01 -0.07 0.11 -0.04 -0.04 0.08 -0.04 0.01 -0.00 0.08 -0.05 0.04 0.03 -0.06 0.04 0.06 -0.10 -0.13 -0.03 0.05 0.49 0.03 -0.05 -0.10 -0.05 0.08 0.01 -0.13 0.05 -0.11 -0.00 0.03 0.01 -0.09 -0.00 -0.10 0.08 -0.10 0.01 -0.01 0.01 -0.06 0.01 -0.01 0.02 -0.01 0.02 0.00 -0.02 0.02 -0.02 -0.01 0.04 -0.01 -0.00 -0.01 -0.01 -0.01 0.02 -0.00 0.01 -0.06 -0.10 -0.12 0.08 0.05 0.07 -0.08 0.01 -0.01 0.01 0.00 0.01 -0.03 0.13 0.04 0.12 -0.02 0.01 -0.11 0.00 0.02 -0.03 0.00 -0.00 0.03 0.01 0.02 -0.02 -0.01 0.02 -0.02 0.01 0.01 -0.01 -0.01 0.01 -0.01 -0.02 -0.02 0.03 0.00 0.01 -0.00 -0.03 -0.02 -0.10 -0.28 -0.09 0.31 -0.11 -0.41 0.01 0.30 0.08 -0.05 -0.02 0.24 -0.24 0.04 -0.00 0.00 0.01 -0.01 0.03 0.00 0.03 -0.02 0.01 -0.00 -0.03 0.04 0.02 0.11 0.28 0.05 0.03 0.15 0.09 0.28 -0.11 -0.01 -0.17 0.06 0.04 -0.18 -0.03 0.01 -0.10 -0.04 0.01 -0.02 0.01 0.01 0.02 0.02 0.02 -0.02 -0.02 0.02 -0.02 0.02 0.01 -0.00 -0.02 0.01 -0.00 -0.04 -0.04 0.04 -0.06 0.05 -0.02 -0.06 0.03 0.01 0.03 0.00 -0.01 0.26 0.05 -0.02 -0.04 -0.02 -0.02 -0.01 0.01 0.01 0.00 0.01 0.01 0.01 0.01 -0.05 0.04 0.03 -0.02 0.11 0.13 -0.12 0.02 -0.00 0.01 -0.04 -0.03 0.08 -0.02 0.01 -0.01 0.01 0.01 0.06 -0.04 -0.07 0.06 -0.15 -0.04 -0.01 -0.07 -0.07 0.04 -0.01 -0.09 0.04 -0.07 -0.05 0.02 -0.01 -0.08 0.01 0.22 0.04 -0.03 -0.05 -0.04 0.00 -0.01 -0.09 -0.13 -0.05 0.05 0.02 0.09 -0.07 -0.01 0.29 0.19 -0.05 0.08 0.22 -0.29 0.05 -0.02 0.01 0.01 0.00 0.04 -0.06 0.06 0.14 -0.04 -0.11 0.13 -0.01 0.01 -0.00 -0.06 0.01 0.01 -0.03 -0.01 -0.04 0.04 0.01 0.07 -0.02 0.01 0.08 0.02 0.01 0.07 0.07 0.03 -0.01 -0.35 -0.09 0.00 -0.09 -0.07 0.06 0.01 -0.11 0.04 -0.09 -0.03 0.01 0.01 -0.08 -0.01 0.37 0.08 -0.03 -0.00 0.13 0.06 0.13 0.06 -0.04 0.07 0.03 -0.02 -0.02 -0.03 0.00 -0.04 0.01 0.06 0.05 0.06 -0.02 -0.07 0.02 0.01 0.04 0.12 0.03 -0.11 0.04 0.03 -0.04 0.10 0.05 0.06 0.02 -0.06 0.00 0.09 0.01 -0.14 0.09 0.05 -0.10 -0.11 -0.00 0.02 -0.06 -0.04 0.05 0.05 0.02 0.05 -0.15 -0.07 0.03 -0.15 -0.07 0.06 -0.19 -0.07 0.04 -0.19 -0.07 -0.09 -0.04 0.05 0.04 -0.14 -0.05 0.06 0.13 0.06 -0.17 0.05 0.06 -0.11 -0.01 0.02 -0.03 0.09 0.04 -0.08 0.16 0.09 0.01 0.04 -0.05 0.06 -0.01 -0.09 -0.01 0.11 0.02 -0.07 0.11 0.02 -0.21 0.06 0.09 -0.14 0.09 0.05 -0.14 0.16 0.04 -0.07 -0.14 -0.01 -0.07 -0.15 -0.01 -0.19 -0.12 -0.01 0.10 0.06 -0.04 0.11 0.10 0.01 0.05 -0.14 -0.07 0.03 -0.14 -0.07 0.06 -0.20 -0.07 0.03 -0.20 -0.06 -0.17 -0.08 0.07 0.00 0.02 0.04 -0.08 -0.08 0.10 0.03 0.00 0.10 0.07 0.12 0.05 -0.02 -0.03 -0.10 -0.02 -0.01 0.07 -0.01 0.01 -0.03 -0.02 0.03 0.06 -0.05 0.05 -0.00 -0.09 -0.01 0.09 0.05 0.00 0.18 -0.00 0.04 -0.04 0.07 -0.05 -0.06 -0.02 0.03 -0.16 0.00 0.01 -0.07 -0.03 -0.09 0.01 0.03 -0.02 -0.07 -0.01 -0.02 -0.07 0.04 -0.05 -0.05 -0.01 -0.05 -0.05 0.05 0.10 -0.07 0.01 -0.04 -0.03 -0.02 0.08 0.10 0.00 0.04 -0.06 -0.09 0.14 -0.01 -0.21 -0.04 0.06 -0.07 -0.07 0.20 0.18 -0.02 0.17 0.03 0.01 0.30 0.01 -0.02 -0.09 -0.03 0.12 -0.08 0.02 -0.04 -0.15 0.16 -0.14 -0.09 0.09 -0.03 0.05 -0.08 0.11 -0.14 0.06 -0.07 -0.18 -0.05 0.05 -0.29 -0.07 -0.09 0.15 -0.07 -0.20 0.03 0.04 -0.02 -0.08 -0.03 -0.02 -0.07 0.05 -0.06 -0.04 -0.02 -0.05 -0.04 0.07 0.18 -0.14 0.17 0.08 -0.01 -0.22 -0.00 0.00 -0.23 0.04 -0.00 -0.10 0.06 -0.01 0.06 0.10 -0.01 -0.13 -0.04 -0.01 -0.07 -0.03 0.00 -0.08 -0.09 -0.05 -0.06 -0.07 -0.01 -0.05 -0.05 -0.07 -0.20 0.03 -0.01 0.06 -0.05 0.04 -0.06 -0.03 -0.00 -0.06 0.05 0.04 0.10 -0.01 0.06 -0.13 0.07 -0.00 0.12 -0.06 0.05 0.15 -0.04 0.03 0.14 -0.09 0.02 0.17 -0.07 -0.00 0.07 0.10 -0.01 0.17 -0.06 0.00 -0.11 -0.10 -0.08 -0.08 -0.07 0.04 -0.04 -0.13 -0.01 0.01 -0.04 -0.06 -0.05 -0.03 -0.12 -0.23 0.04 -0.01 -0.18 0.08 -0.06 0.07 -0.03 0.06 0.12 -0.12 0.06 0.00 -0.03 0.02 -0.11 0.00 0.02 -0.07 -0.09 -0.05 -0.07 0.06 0.04 -0.09 0.09 0.05 0.01 0.05 0.05 -0.17 -0.00 -0.02 -0.20 0.06 -0.00 0.13 -0.06 0.04 0.18 -0.04 0.04 0.11 -0.10 -0.00 0.17 -0.08 -0.00 0.20 0.13 -0.01 -0.01 -0.03 0.07 0.26 -0.13 0.04 -0.22 -0.01 0.02 -0.10 0.03 0.01 0.06 0.06 -0.02 0.05 -0.05 0.07 0.01 -0.05 0.02 0.03 0.00 0.09 -0.01 -0.01 0.03 0.12 0.14 0.01 -0.10 0.01 -0.00 0.00 0.01 -0.00 -0.02 -0.10 -0.02 0.00 -0.06 0.04 -0.00 0.01 -0.09 -0.13 0.01 0.00 -0.00 0.03 -0.09 -0.02 0.02 -0.09 0.00 0.05 -0.07 -0.03 0.04 -0.07 0.08 0.07 -0.01 -0.02 0.04 -0.05 -0.03 -0.03 0.03 -0.16 0.03 0.10 0.00 -0.15 0.01 0.33 0.23 0.11 0.06 0.29 -0.19 -0.17 0.00 0.01 -0.06 0.12 -0.09 0.05 -0.03 -0.01 -0.08 0.07 -0.01 -0.05 -0.08 -0.08 -0.02 -0.17 -0.01 -0.02 -0.08 -0.02 0.03 0.00 0.09 -0.02 -0.12 0.07 0.00 -0.05 -0.03 0.14 -0.14 0.11 -0.20 -0.02 0.01 0.01 0.03 -0.09 -0.03 0.02 -0.09 0.02 0.05 -0.06 -0.04 0.05 -0.06 0.21 0.11 -0.03 0.01 0.02 0.04 -0.02 -0.00 0.03 -0.01 -0.08 -0.05 -0.01 -0.13 -0.04 0.02 -0.08 0.02 -0.05 0.00 0.04 -0.01 0.05 0.01 -0.04 0.04 0.04 -0.01 0.08 -0.00 -0.02 0.08 0.02 -0.05 -0.07 -0.04 -0.01 0.06 0.04 0.07 -0.03 -0.03 0.03 0.22 0.07 -0.01 0.06 -0.01 0.01 -0.06 -0.03 0.00 0.02 -0.03 0.00 0.02 -0.03 0.02 -0.04 -0.04 0.01 -0.03 -0.04 0.01 -0.12 0.00 0.02 -0.04 -0.04 -0.07 0.03 0.02 -0.01 0.09 -0.04 -0.01 0.11 0.00 -0.02 0.11 0.05 -0.01 0.07 -0.01 -0.12 -0.10 -0.02 -0.05 -0.07 -0.09 0.02 0.07 0.06 -0.04 0.05 0.06 -0.04 -0.01 -0.16 0.20 -0.15 -0.08 0.09 0.03 0.11 -0.05 0.04 -0.08 -0.03 0.56 0.01 0.23 0.19 0.38 0.02 -0.00 0.02 0.00 -0.03 -0.03 0.01 0.03 -0.03 0.00 0.04 -0.02 0.02 -0.06 -0.05 0.01 -0.05 -0.05 0.02 -0.15 0.03 0.00 -0.00 0.02 -0.02 0.05 0.02 0.00 -0.02 -0.01 0.00 -0.03 -0.01 0.00 -0.02 0.01 -0.01 0.01 0.02 0.01 0.01 0.01 -0.01 -0.00 0.02 -0.01 -0.00 0.02 0.01 0.02 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.02 0.01 -0.01 -0.01 0.00 0.03 -0.04 -0.00 0.01 -0.01 0.01 -0.01 -0.00 -0.01 0.01 -0.02 0.01 0.01 -0.02 -0.00 0.00 -0.02 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 0.00 -0.02 -0.00 -0.02 0.02 -0.03 0.00 0.05 -0.02 -0.04 0.00 0.04 0.03 0.03 -0.00 0.04 -0.02 -0.01 -0.03 0.00 -0.01 -0.02 0.00 0.02 0.01 0.04 -0.02 -0.02 0.04 0.47 0.03 0.21 -0.39 0.29 0.13 -0.07 -0.37 -0.40 0.01 0.19 0.07 0.02 -0.16 0.01 -0.02 0.07 -0.26 0.01 0.05 -0.02 0.01 -0.00 -0.01 -0.01 0.01 -0.01 0.01 0.01 -0.01 -0.00 0.00 -0.03 0.01 0.00 -0.03 -0.00 -0.04 0.01 -0.00 0.00 -0.02 0.08 -0.08 -0.04 0.06 0.03 0.05 0.03 0.07 0.04 -0.02 0.01 -0.02 0.00 -0.01 -0.03 -0.03 -0.02 -0.03 -0.00 -0.00 -0.01 -0.08 -0.10 0.01 -0.02 -0.02 -0.00 0.03 0.02 0.02 0.00 -0.00 -0.03 -0.05 -0.03 -0.04 0.00 0.11 0.05 0.00 -0.00 0.00 0.03 -0.00 0.02 0.01 -0.00 0.01 -0.01 -0.01 0.01 0.00 -0.00 0.02 -0.01 -0.01 0.02 -0.02 0.05 -0.01 -0.00 -0.01 0.02 0.01 0.01 0.01 -0.16 -0.08 0.14 -0.12 -0.23 -0.05 0.04 -0.03 -0.01 -0.05 0.04 -0.01 0.04 0.06 0.01 0.02 -0.01 0.02 -0.01 -0.03 -0.05 0.02 0.03 -0.05 0.18 -0.00 0.05 -0.26 0.10 0.04 -0.09 -0.20 -0.26 -0.08 -0.09 -0.13 -0.07 0.51 -0.02 0.20 0.08 0.42 0.04 -0.09 0.02 0.05 -0.04 0.02 0.01 -0.00 0.01 -0.02 -0.01 0.01 0.01 -0.00 0.03 -0.01 -0.01 0.02 -0.06 0.08 -0.04 0.02 -0.05 0.14 -0.06 0.02 -0.02 0.12 0.07 -0.01 0.07 0.06 -0.00 -0.05 0.04 0.00 -0.03 -0.01 -0.02 -0.01 -0.02 -0.01 -0.02 -0.09 0.02 -0.02 -0.02 -0.01 -0.03 -0.03 -0.00 -0.01 0.02 -0.02 0.00 -0.11 0.19 -0.02 -0.03 -0.01 -0.01 -0.03 0.03 0.00 -0.05 -0.01 0.06 0.06 -0.00 -0.07 -0.02 -0.05 0.08 0.00 -0.06 -0.06 0.07 -0.13 0.05 0.08 -0.14 -0.05 0.04 0.00 -0.00 0.09 -0.15 0.02 -0.15 -0.00 -0.02 -0.02 -0.01 -0.02 -0.02 -0.02 -0.02 0.00 0.02 -0.02 -0.03 -0.03 -0.06 0.05 -0.02 -0.01 -0.07 -0.07 0.14 0.07 0.37 -0.09 -0.33 0.34 -0.12 -0.03 -0.08 0.08 -0.11 -0.05 0.00 0.04 0.08 -0.02 -0.16 -0.06 -0.02 0.13 -0.01 0.02 -0.06 0.21 -0.01 0.02 -0.04 0.09 0.08 -0.01 -0.12 -0.05 -0.03 0.15 -0.01 -0.02 -0.13 0.08 -0.17 0.10 0.11 -0.17 -0.12 0.02 0.00 -0.07 0.04 0.02 -0.02 -0.06 -0.00 0.07 0.06 -0.05 0.04 0.04 -0.04 -0.04 0.07 0.02 -0.01 -0.03 -0.00 0.03 -0.06 0.01 -0.03 -0.01 -0.01 0.02 -0.09 0.03 0.02 -0.05 -0.01 -0.01 0.02 -0.03 0.03 0.07 0.01 0.08 -0.15 -0.04 0.04 -0.06 0.08 -0.01 0.22 0.06 0.03 0.10 -0.02 -0.03 0.16 0.04 -0.03 0.15 0.05 0.01 -0.12 -0.05 0.01 -0.11 -0.03 -0.03 0.03 0.00 0.00 -0.21 -0.07 -0.05 0.00 -0.01 -0.01 -0.08 0.08 0.01 -0.14 0.01 0.05 -0.08 -0.03 0.02 -0.05 -0.03 -0.05 0.01 -0.03 -0.01 -0.01 -0.06 0.06 0.05 0.01 0.12 0.03 0.01 0.09 -0.11 -0.15 0.11 -0.23 -0.04 0.08 -0.19 0.00 0.16 0.12 0.25 -0.03 -0.30 0.20 0.01 -0.02 -0.16 0.00 -0.07 0.02 0.05 0.14 -0.03 -0.06 0.23 0.07 -0.05 0.22 0.07 0.03 -0.17 -0.06 0.03 -0.15 -0.05 -0.08 -0.01 0.03 -0.02 0.01 0.05 0.06 -0.03 -0.09 -0.10 -0.07 0.11 -0.06 0.01 0.09 0.05 -0.07 -0.04 0.02 -0.01 -0.08 0.02 0.02 -0.04 0.00 0.00 -0.08 0.06 0.00 -0.06 -0.01 -0.06 -0.06 0.02 -0.01 0.03 0.01 0.02 0.06 -0.01 0.19 0.09 0.02 -0.02 -0.03 -0.01 0.10 0.06 -0.05 -0.13 0.05 -0.05 0.07 0.03 0.02 0.08 0.03 -0.03 -0.04 -0.07 0.03 -0.03 -0.06 0.04 0.02 -0.01 0.00 -0.09 -0.09 0.02 -0.00 -0.07 0.14 -0.02 -0.13 0.07 0.10 -0.03 -0.11 -0.11 -0.11 0.02 -0.14 0.02 0.08 0.07 0.01 0.01 0.02 0.07 0.01 0.11 0.13 0.05 -0.11 0.11 0.05 0.13 0.33 -0.07 0.41 0.08 -0.02 0.18 0.03 0.00 -0.16 -0.12 0.04 0.12 -0.08 0.01 -0.06 0.14 -0.02 -0.03 -0.04 -0.07 -0.22 0.06 -0.10 0.10 0.06 0.05 0.13 0.07 -0.06 -0.06 -0.09 0.08 -0.04 -0.09 0.10 0.09 -0.07 0.02 0.01 -0.02 0.08 0.15 -0.03 0.09 -0.02 0.13 0.03 0.07 0.11 -0.02 -0.07 -0.05 -0.06 -0.00 0.02 -0.01 -0.00 0.02 -0.06 -0.06 0.03 0.03 0.03 -0.02 0.03 0.03 -0.03 -0.17 -0.03 -0.08 -0.02 -0.04 -0.02 0.02 -0.05 -0.01 -0.02 -0.02 -0.02 -0.02 0.02 -0.02 0.07 -0.11 0.06 0.02 0.02 -0.01 -0.03 0.01 -0.01 0.02 -0.02 0.03 -0.02 -0.02 0.02 -0.04 0.05 -0.02 0.01 -0.03 0.03 -0.10 -0.08 -0.01 0.04 0.04 -0.07 0.07 0.07 0.02 0.10 0.09 0.03 0.03 0.04 -0.16 -0.51 0.14 -0.07 -0.12 -0.21 -0.42 0.03 -0.09 -0.04 -0.00 -0.01 -0.04 -0.02 -0.04 -0.08 0.09 -0.11 -0.04 0.04 -0.04 0.07 -0.02 0.02 0.01 0.01 -0.09 -0.01 -0.06 -0.01 -0.09 0.02 0.17 -0.11 0.11 -0.21 0.08 0.05 0.04 -0.02 -0.05 0.02 -0.02 0.04 -0.02 0.04 -0.05 -0.02 0.04 -0.11 0.11 -0.08 0.02 -0.00 0.00 0.05 -0.07 -0.05 0.02 -0.01 0.02 0.02 0.00 0.01 -0.00 -0.02 -0.01 -0.02 0.00 -0.04 -0.03 0.03 -0.02 -0.02 0.00 -0.02 -0.04 -0.02 -0.01 -0.04 -0.01 -0.02 0.00 0.01 -0.00 -0.02 -0.01 0.01 0.02 0.05 0.02 -0.02 0.11 0.08 -0.01 -0.02 0.00 0.02 -0.02 0.00 -0.01 -0.03 0.00 0.01 -0.02 -0.00 -0.01 0.01 0.00 0.00 0.01 -0.01 -0.00 -0.01 -0.01 0.01 0.03 -0.00 -0.01 -0.00 -0.02 -0.05 -0.02 0.04 -0.05 -0.06 -0.02 -0.05 -0.03 -0.03 -0.04 -0.02 0.00 0.04 0.03 -0.01 -0.01 -0.01 0.04 -0.02 0.02 0.03 -0.02 -0.03 0.02 -0.08 0.04 -0.02 0.14 0.01 -0.04 0.04 0.11 0.15 0.14 0.49 0.42 -0.17 -0.31 0.31 -0.00 0.20 -0.39 0.01 -0.08 0.02 0.03 -0.04 0.01 -0.01 -0.04 -0.00 0.02 -0.03 0.00 -0.02 0.01 -0.01 0.01 0.01 -0.01 -0.01 0.00 -0.02 -0.02 -0.01 0.02 -0.00 0.25 -0.07 -0.09 -0.05 0.05 -0.06 -0.01 0.04 0.04 -0.03 0.00 0.05 0.03 -0.05 0.01 -0.02 0.00 0.06 0.05 -0.04 -0.06 -0.08 0.04 -0.02 -0.03 0.02 0.11 0.01 0.02 0.01 0.03 -0.00 -0.02 -0.14 -0.12 0.02 0.02 0.04 0.01 -0.01 0.03 -0.04 -0.06 0.03 -0.02 -0.01 0.02 0.03 -0.00 0.03 -0.02 0.01 -0.03 0.02 0.01 -0.02 0.03 0.00 0.01 -0.01 0.02 -0.04 0.11 0.08 0.01 -0.13 -0.07 0.18 -0.11 -0.21 -0.02 -0.03 -0.10 -0.04 -0.05 -0.00 0.11 0.29 0.03 -0.01 0.08 0.10 0.19 -0.05 0.06 -0.01 0.03 0.03 -0.01 -0.15 -0.10 -0.34 0.06 -0.38 -0.11 -0.00 -0.06 -0.06 0.05 0.10 0.10 -0.04 -0.02 0.09 0.07 0.04 -0.03 -0.03 0.28 -0.20 -0.07 -0.10 0.04 -0.05 -0.03 0.04 0.05 -0.00 0.04 -0.05 0.01 -0.04 0.06 0.02 -0.04 0.08 0.03 -0.01 0.01 -0.00 -0.02 -0.03 -0.01 -0.06 -0.02 -0.00 0.02 -0.02 0.02 0.02 0.00 0.01 -0.00 0.00 -0.01 -0.05 -0.02 -0.04 -0.03 -0.00 0.05 -0.02 -0.06 0.06 -0.05 -0.09 0.06 -0.00 0.03 0.00 -0.02 -0.01 0.05 0.05 0.18 -0.07 0.04 0.00 -0.12 0.12 -0.01 -0.00 -0.04 -0.02 -0.01 0.01 0.02 -0.02 -0.04 -0.02 -0.03 -0.04 0.02 0.01 0.03 -0.03 -0.00 0.02 0.01 0.02 0.00 -0.00 0.04 0.05 0.03 0.03 -0.02 -0.06 0.07 -0.16 -0.05 0.15 -0.02 -0.15 0.05 -0.02 -0.08 0.04 0.07 0.06 0.04 -0.03 0.02 0.01 0.02 0.02 0.14 0.13 -0.09 -0.03 0.12 0.44 -0.03 0.13 0.18 0.15 0.00 0.18 -0.32 0.09 0.17 -0.23 0.12 -0.13 -0.04 0.18 -0.01 -0.15 0.29 -0.04 -0.01 -0.05 -0.02 -0.02 0.01 0.06 -0.04 -0.06 -0.05 -0.05 -0.06 0.05 0.00 0.04 -0.06 -0.02 0.04 0.02 0.03 -0.01 0.10 0.04 -0.02 0.08 0.07 -0.02 -0.01 0.00 -0.03 0.00 -0.01 -0.03 0.00 0.02 0.02 -0.01 -0.00 0.00 -0.02 -0.01 0.01 -0.05 -0.08 0.01 0.02 -0.01 -0.01 -0.00 -0.04 -0.02 0.09 -0.00 0.08 -0.09 -0.10 0.10 -0.03 -0.01 0.01 -0.03 0.02 -0.02 -0.09 0.02 -0.09 -0.01 0.03 -0.01 -0.02 0.10 -0.03 -0.11 0.04 -0.09 0.02 -0.06 0.06 -0.09 0.00 0.03 0.01 -0.01 0.01 0.04 -0.10 0.05 -0.02 -0.14 -0.01 0.05 -0.02 -0.04 0.04 0.03 0.02 0.03 0.00 0.02 0.01 -0.05 -0.08 0.39 -0.05 0.05 0.02 0.05 0.39 0.08 0.04 0.27 -0.20 -0.29 0.24 -0.07 -0.02 -0.01 0.01 -0.05 0.00 -0.02 0.02 0.05 -0.09 0.02 -0.06 0.00 0.06 -0.06 -0.01 0.02 -0.01 0.05 0.08 -0.07 -0.02 0.06 -0.02 0.06 0.23 -0.06 -0.16 0.06 -0.11 0.06 -0.06 0.08 -0.21 0.04 0.11 0.03 -0.03 0.03 0.13 0.01 0.03 0.06 0.00 -0.01 0.01 0.01 -0.02 0.01 0.00 -0.01 -0.00 0.01 0.01 -0.02 0.01 0.01 -0.04 -0.02 0.03 -0.05 0.02 -0.02 0.02 0.04 -0.01 0.00 0.02 -0.03 0.03 -0.00 0.02 -0.11 0.00 -0.15 0.06 -0.07 0.04 -0.05 -0.03 0.00 -0.10 -0.04 0.11 0.01 0.02 -0.01 -0.11 -0.05 0.11 -0.02 0.02 0.07 -0.11 0.01 -0.02 0.01 0.00 -0.09 -0.01 -0.00 0.00 0.02 0.00 -0.09 -0.05 0.02 -0.02 0.06 0.04 -0.12 0.07 0.13 0.05 0.02 0.03 -0.02 0.01 0.00 -0.06 0.11 -0.02 0.02 0.00 -0.00 0.11 -0.29 -0.20 -0.37 0.04 0.27 -0.35 0.18 -0.04 0.03 0.06 -0.01 0.03 0.05 -0.20 0.06 -0.08 -0.10 -0.06 -0.02 0.04 -0.04 -0.06 -0.04 0.08 0.01 0.00 0.01 0.02 0.04 -0.01 -0.16 -0.08 0.13 0.09 0.05 0.15 -0.24 0.03 -0.09 0.05 -0.01 -0.11 -0.02 -0.02 0.01 -0.01 0.00 -0.01 0.02 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.01 -0.00 -0.02 -0.00 0.01 0.00 -0.00 0.00 -0.01 -0.01 0.01 -0.00 0.01 0.01 -0.01 0.03 -0.01 -0.01 0.01 -0.02 0.02 -0.01 0.00 0.01 -0.02 -0.00 0.01 -0.00 0.04 -0.18 -0.08 -0.04 0.21 0.04 -0.02 0.19 0.07 0.02 -0.20 -0.04 0.00 0.00 0.00 0.00 -0.02 0.02 0.00 -0.03 -0.01 0.02 -0.00 -0.03 0.02 0.02 0.02 -0.01 -0.01 -0.01 0.00 -0.02 -0.01 0.05 -0.01 0.01 0.00 0.01 0.05 0.04 0.03 0.07 -0.01 -0.07 0.07 -0.02 -0.01 0.01 -0.00 -0.02 0.01 -0.01 -0.01 0.02 -0.05 0.03 -0.01 -0.00 0.02 -0.02 0.00 0.02 -0.02 0.01 0.01 -0.01 -0.00 0.01 -0.00 0.10 -0.39 -0.15 -0.10 0.45 0.10 -0.03 0.42 0.15 0.04 -0.43 -0.10 0.00 -0.00 0.00 0.10 0.02 -0.00 -0.08 -0.04 0.03 0.00 -0.01 0.02 -0.00 -0.01 0.02 0.01 -0.03 -0.01 0.03 0.04 -0.01 0.12 0.07 -0.08 0.00 0.03 0.05 -0.04 -0.06 0.03 0.00 0.01 0.07 -0.04 0.02 -0.03 -0.08 0.02 0.02 0.00 0.13 -0.14 0.16 -0.10 0.04 -0.08 -0.01 -0.01 0.00 -0.03 0.01 -0.05 -0.02 0.01 -0.07 0.04 -0.02 -0.04 0.01 0.03 -0.05 -0.02 -0.02 0.00 -0.01 -0.01 0.01 -0.02 0.00 0.04 0.06 0.09 -0.16 -0.05 0.32 -0.19 -0.30 -0.13 0.05 0.02 0.08 -0.02 0.06 0.04 -0.19 0.01 -0.01 -0.00 -0.02 -0.19 -0.09 0.02 0.02 -0.12 0.04 0.01 -0.09 0.10 -0.13 -0.07 0.06 -0.09 -0.01 0.23 -0.23 0.34 -0.18 0.07 0.08 -0.16 0.10 0.03 -0.14 0.10 -0.05 -0.05 0.06 0.00 -0.06 0.01 -0.02 -0.01 -0.01 -0.06 0.08 0.01 -0.08 0.05 0.02 -0.09 -0.05 -0.00 0.00 0.00 -0.02 0.05 0.00 -0.00 -0.01 -0.07 -0.00 0.00 -0.00 0.02 -0.00 0.01 0.02 -0.00 -0.00 -0.01 0.03 0.02 -0.01 0.00 -0.03 0.09 0.04 0.14 -0.11 0.08 -0.03 0.07 0.04 -0.06 -0.03 -0.01 0.01 -0.06 -0.05 0.14 0.07 -0.04 -0.09 0.04 -0.01 0.03 -0.05 -0.05 0.02 -0.00 -0.00 -0.01 0.01 -0.03 -0.04 -0.01 -0.03 -0.04 -0.03 -0.03 -0.01 0.02 -0.03 -0.00 -0.00 0.00 0.01 -0.01 -0.01 0.07 0.03 0.02 0.14 -0.11 0.13 -0.04 0.01 0.14 0.01 0.13 -0.09 -0.24 -0.20 0.07 -0.16 0.16 -0.22 0.05 -0.05 0.04 0.01 -0.27 -0.07 0.38 0.26 -0.13 -0.09 0.22 -0.02 -0.07 -0.03 -0.10 -0.17 0.09 -0.05 -0.10 -0.04 -0.16 0.07 -0.10 0.12 0.03 -0.14 0.01 0.05 -0.12 -0.04 -0.08 0.08 -0.01 -0.03 0.01 -0.01 -0.07 -0.03 -0.03 -0.09 -0.04 -0.03 -0.05 -0.00 -0.06 -0.05 0.00 -0.00 0.02 -0.02 -0.00 -0.01 -0.00 0.09 0.04 0.01 0.00 0.00 -0.02 0.01 -0.01 -0.02 -0.01 0.01 0.01 -0.09 -0.00 0.04 0.02 0.04 -0.02 -0.12 -0.03 0.00 0.03 -0.04 -0.00 -0.01 -0.06 -0.04 -0.04 -0.03 0.09 -0.01 0.07 0.01 0.02 0.04 -0.05 0.03 -0.04 -0.00 -0.02 0.19 0.06 0.01 0.02 -0.01 0.02 -0.06 -0.02 0.02 -0.05 -0.01 0.01 -0.06 -0.02 0.02 -0.06 -0.02 -0.00 -0.01 0.01 -0.03 0.22 0.06 -0.19 -0.02 -0.03 0.04 -0.05 0.08 0.00 -0.09 -0.04 0.06 -0.03 -0.02 0.02 -0.08 -0.15 0.16 -0.08 0.07 -0.10 -0.06 0.30 0.03 0.04 0.01 0.08 0.02 0.01 0.01 0.04 -0.06 0.01 0.03 -0.05 0.02 0.05 -0.07 0.09 -0.13 -0.03 0.05 -0.05 -0.01 -0.06 -0.07 0.06 0.12 0.05 -0.03 0.02 0.04 -0.01 0.06 -0.34 -0.10 0.06 -0.32 -0.10 0.06 -0.34 -0.10 0.07 -0.34 -0.10 -0.01 -0.03 0.02 -0.02 -0.00 0.00 0.09 0.02 0.14 -0.00 0.00 -0.01 0.00 -0.02 -0.02 0.00 -0.01 0.00 -0.01 0.07 0.09 -0.04 0.12 -0.01 -0.00 0.04 -0.12 -0.02 -0.02 0.00 -0.03 -0.07 -0.12 -0.05 0.00 0.06 -0.01 -0.00 -0.01 0.07 0.04 -0.09 -0.09 -0.03 0.03 0.03 -0.08 -0.02 0.00 -0.00 -0.01 0.02 0.00 0.01 0.03 0.00 0.01 0.01 0.03 0.01 0.02 0.04 0.01 -0.00 -0.02 0.00 0.03 -0.08 -0.03 -0.05 0.00 -0.17 0.00 -0.04 0.18 -0.02 -0.17 -0.03 -0.17 -0.20 -0.24 -0.01 -0.16 0.07 -0.15 -0.08 0.09 -0.02 -0.01 -0.03 -0.03 0.15 0.10 -0.03 -0.15 0.08 0.19 0.10 -0.19 0.08 0.01 -0.09 0.07 -0.11 -0.06 0.03 -0.18 -0.01 -0.08 -0.05 0.03 -0.26 -0.08 0.14 0.37 0.02 0.10 0.01 0.00 -0.01 0.00 0.12 0.04 0.02 0.11 0.05 -0.01 0.17 0.05 0.01 0.17 0.04 -0.00 -0.03 0.01 0.03 0.00 -0.00 -0.02 0.06 0.11 -0.02 -0.00 -0.00 0.01 0.02 -0.01 -0.00 0.02 0.00 0.05 -0.05 0.06 0.00 -0.13 -0.07 0.06 0.02 -0.02 -0.05 -0.05 -0.13 -0.02 0.01 -0.03 -0.01 -0.04 0.03 0.02 0.02 -0.00 -0.03 -0.01 0.05 0.06 0.02 -0.01 -0.01 0.02 0.01 0.01 0.02 -0.00 -0.03 0.00 -0.00 -0.03 -0.00 0.01 -0.03 -0.01 -0.01 -0.03 -0.01 -0.00 -0.02 0.01 0.00 -0.02 0.01 0.00 0.02 0.03 -0.04 -0.10 -0.03 -0.21 -0.04 -0.00 -0.12 -0.11 -0.02 -0.06 -0.04 0.02 0.10 -0.14 -0.07 0.05 0.03 0.01 -0.11 -0.01 0.05 0.01 0.03 -0.00 0.01 -0.12 -0.09 0.24 0.02 0.15 -0.01 -0.01 0.13 0.10 0.04 0.16 0.08 -0.08 0.07 0.07 0.27 0.07 -0.06 0.68 0.08 -0.12 0.03 0.04 -0.00 -0.03 -0.02 -0.00 -0.04 -0.03 -0.01 -0.03 -0.04 -0.02 -0.03 -0.04 -0.01 -0.04 0.00 0.01 -0.03 -0.00 0.00 0.06 0.02 -0.06 0.00 -0.00 -0.01 0.04 0.02 -0.02 -0.02 0.02 0.01 -0.11 -0.06 0.01 0.08 -0.07 0.01 -0.12 0.06 -0.02 0.00 0.00 0.02 -0.06 0.02 -0.03 -0.09 -0.07 0.08 -0.05 0.13 0.00 -0.03 -0.02 0.04 0.19 -0.02 -0.03 0.02 -0.10 -0.02 0.03 0.03 -0.01 0.04 -0.04 0.01 0.05 -0.04 -0.00 0.02 0.06 0.02 0.03 0.07 0.01 -0.01 0.01 0.01 0.04 -0.10 -0.04 -0.24 0.10 -0.06 -0.02 0.01 -0.04 -0.01 0.03 0.01 -0.04 -0.01 -0.05 -0.03 -0.02 -0.06 0.13 -0.09 0.06 -0.16 -0.11 0.31 -0.09 0.20 0.04 -0.11 0.09 0.05 -0.14 -0.08 0.13 -0.10 -0.01 0.07 -0.04 0.14 -0.06 0.15 0.02 -0.03 0.21 -0.03 -0.04 0.22 -0.02 -0.06 -0.17 0.04 -0.08 0.07 0.07 -0.01 0.01 0.14 0.06 0.04 0.14 0.06 -0.02 0.29 0.08 0.01 0.30 0.07 -0.02 -0.01 0.02 -0.01 -0.00 -0.00 -0.06 -0.03 -0.08 -0.03 -0.00 0.01 0.01 0.01 0.01 0.01 -0.01 -0.01 -0.05 0.01 -0.05 -0.01 0.02 -0.00 -0.03 0.02 0.05 0.06 -0.02 0.04 0.06 -0.01 0.07 -0.02 0.01 0.01 -0.02 0.04 0.01 0.01 0.00 -0.02 -0.05 -0.00 -0.00 0.00 -0.02 -0.01 0.02 -0.01 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 -0.02 0.00 0.00 0.01 -0.02 -0.01 -0.00 0.06 0.10 0.08 -0.02 0.01 0.06 0.02 0.04 0.16 0.02 0.10 0.06 0.02 -0.06 0.11 0.03 -0.01 -0.04 0.00 0.12 -0.03 0.02 -0.01 -0.02 0.05 0.01 0.03 0.02 -0.06 0.03 -0.01 -0.02 0.01 -0.03 -0.00 -0.04 -0.04 -0.02 -0.02 -0.02 -0.01 -0.09 -0.01 0.01 0.88 -0.05 -0.17 0.05 -0.02 0.00 0.01 0.03 0.01 0.01 0.03 0.01 -0.00 0.07 0.02 -0.00 0.07 0.02 -0.04 0.01 -0.01 -0.01 -0.00 -0.00 -0.01 -0.04 -0.01 -0.02 -0.00 0.01 -0.01 0.00 0.01 0.01 -0.00 -0.01 0.05 -0.00 -0.02 0.07 0.05 0.11 -0.05 -0.06 -0.10 -0.08 0.14 0.13 -0.16 0.07 -0.08 0.05 0.03 -0.03 -0.00 -0.12 -0.03 -0.04 -0.04 0.05 0.14 -0.01 -0.01 -0.01 0.02 0.01 0.00 -0.01 0.00 0.01 0.02 0.01 -0.00 0.02 0.00 0.02 -0.02 -0.01 0.01 -0.02 -0.02 -0.01 0.00 -0.00 0.01 0.03 0.01 0.00 -0.13 -0.13 -0.07 0.14 0.15 -0.08 0.09 0.12 -0.18 0.04 -0.11 -0.13 0.01 -0.05 -0.00 0.04 -0.03 0.07 0.06 -0.10 0.01 -0.13 -0.04 0.07 -0.15 -0.04 -0.07 -0.01 -0.07 -0.15 -0.21 0.15 -0.06 -0.02 -0.09 0.08 -0.02 -0.04 0.24 -0.05 -0.06 0.07 -0.01 -0.04 0.61 -0.06 -0.05 0.00 -0.02 0.01 0.03 -0.04 -0.01 0.02 -0.04 -0.01 0.03 -0.10 -0.03 0.02 -0.10 -0.04 -0.02 0.01 -0.01 -0.01 0.01 -0.03 0.00 0.00 0.00 0.02 0.00 -0.00 -0.01 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.01 0.01 -0.01 -0.00 0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.01 -0.01 0.05 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.03 0.11 -0.01 -0.00 0.00 0.29 -0.02 0.21 -0.27 -0.10 0.19 0.28 0.10 -0.19 -0.28 0.01 -0.21 0.00 0.00 -0.00 0.00 0.04 -0.11 0.02 -0.02 0.01 0.01 -0.01 -0.01 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 -0.01 -0.00 0.02 0.08 0.13 -0.04 -0.11 0.11 0.00 0.00 -0.00 0.01 0.01 -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.05 0.00 0.00 -0.04 -0.01 0.00 0.20 -0.05 0.25 -0.16 -0.10 0.25 0.17 0.11 -0.25 -0.19 0.04 -0.26 0.01 0.00 -0.00 -0.03 -0.00 0.00 -0.00 -0.00 0.02 0.29 0.05 -0.02 -0.20 -0.02 0.01 0.16 0.06 -0.00 -0.02 0.01 0.01 -0.00 -0.02 -0.01 -0.05 0.00 0.02 0.01 -0.02 -0.02 0.00 -0.01 0.00 0.07 -0.05 -0.03 -0.07 0.02 0.00 -0.00 -0.00 0.00 0.02 0.01 -0.01 -0.03 -0.00 -0.00 -0.24 -0.03 0.02 0.02 -0.01 0.02 0.04 0.01 -0.03 0.02 -0.00 0.03 0.04 0.02 -0.02 -0.01 0.02 0.00 0.05 -0.00 0.00 -0.05 0.01 0.02 0.02 -0.02 -0.04 0.01 0.01 -0.01 0.05 0.01 0.03 0.00 -0.00 -0.08 -0.01 -0.01 -0.03 0.06 -0.20 -0.11 -0.07 0.00 -0.01 -0.07 0.02 -0.01 -0.02 -0.02 0.04 0.00 0.02 -0.01 -0.00 0.02 0.01 0.02 0.02 0.01 -0.00 -0.00 0.01 0.04 0.01 -0.03 0.21 0.00 -0.03 -0.77 -0.13 0.04 0.06 0.01 0.00 0.07 0.02 -0.01 -0.00 0.02 0.03 0.02 0.03 0.00 -0.07 0.00 0.01 0.11 0.02 0.00 0.01 -0.00 -0.06 0.08 0.01 -0.01 -0.04 0.01 -0.01 0.05 0.03 0.00 -0.05 -0.05 -0.01 0.01 0.05 0.04 0.02 -0.03 -0.02 -0.00 0.05 0.06 -0.03 0.01 -0.02 -0.05 -0.07 0.04 0.28 0.06 0.01 0.01 0.02 -0.02 -0.00 0.01 0.01 0.15 0.04 0.01 -0.07 0.00 0.01 -0.09 -0.03 -0.14 -0.09 -0.11 0.12 -0.13 0.06 -0.10 -0.13 -0.01 0.12 -0.02 0.01 0.00 -0.19 -0.10 -0.02 -0.08 0.01 -0.04 0.02 0.04 0.11 0.00 0.00 0.06 -0.04 -0.00 -0.03 -0.02 -0.01 -0.01 0.06 -0.07 0.02 -0.09 -0.14 0.15 0.30 0.02 -0.01 0.34 0.01 0.01 0.03 0.05 -0.09 -0.02 -0.04 0.01 0.00 -0.00 -0.06 0.01 -0.05 -0.02 0.05 -0.03 -0.02 -0.10 -0.01 0.01 0.07 -0.00 -0.09 -0.25 -0.01 0.01 -0.28 -0.07 -0.03 -0.28 -0.08 0.03 -0.05 0.19 -0.01 -0.05 0.16 0.11 -0.06 -0.00 0.01 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.09 -0.01 0.00 0.24 0.03 -0.01 0.24 0.04 -0.01 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.02 0.01 -0.01 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.04 0.04 0.02 -0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.10 -0.03 -0.01 0.00 0.01 0.01 -0.00 0.01 -0.00 0.01 -0.01 0.00 0.00 -0.01 -0.01 -0.25 -0.07 0.01 0.00 0.01 0.00 0.03 -0.00 -0.01 -0.02 0.00 -0.00 -0.00 -0.01 -0.01 -0.02 -0.01 -0.01 0.00 0.00 0.05 0.01 0.03 0.02 -0.03 0.10 0.05 -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 -0.01 0.01 -0.01 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.01 0.01 -0.16 -0.00 0.03 -0.30 -0.08 0.01 0.01 0.01 0.00 0.00 0.01 -0.00 0.01 -0.03 -0.01 0.00 -0.03 -0.01 -0.78 -0.18 0.03 -0.01 0.00 0.00 -0.00 0.00 0.07 -0.04 0.01 0.01 0.02 -0.02 0.01 0.01 -0.03 -0.01 0.05 0.04 -0.00 0.00 -0.00 -0.00 -0.08 -0.06 0.03 -0.01 -0.03 -0.04 -0.04 -0.04 -0.04 0.09 0.13 -0.06 -0.02 0.03 0.03 -0.01 -0.02 0.02 0.01 -0.01 -0.00 -0.04 0.22 0.06 0.01 -0.02 -0.01 0.03 -0.13 -0.03 0.02 -0.12 -0.05 -0.02 0.13 0.05 -0.02 0.13 0.03 -0.00 -0.03 -0.00 0.05 -0.20 -0.06 -0.02 -0.06 0.06 0.07 -0.05 -0.08 -0.01 0.05 -0.02 0.13 0.06 0.06 -0.06 0.03 -0.26 0.00 0.16 -0.06 0.13 0.19 -0.17 0.02 -0.08 -0.04 0.10 0.08 -0.04 -0.01 -0.02 0.02 -0.00 -0.02 0.02 -0.01 -0.03 0.03 -0.01 0.02 0.01 -0.01 0.01 0.00 0.04 0.00 -0.00 -0.01 -0.00 0.10 0.05 -0.05 -0.01 0.08 -0.38 -0.11 0.07 -0.37 -0.12 -0.04 0.26 0.08 -0.06 0.27 0.08 -0.02 -0.02 -0.02 0.02 0.00 -0.00 0.02 -0.00 0.01 0.07 0.12 0.02 -0.04 -0.12 -0.01 0.01 -0.13 -0.02 -0.07 0.19 -0.02 0.00 -0.02 -0.03 -0.02 0.01 0.02 -0.02 -0.06 -0.09 -0.01 -0.01 -0.01 -0.12 0.38 0.09 0.02 0.01 -0.00 -0.05 -0.10 0.10 0.08 -0.04 -0.02 0.06 -0.08 -0.02 -0.00 -0.06 -0.08 -0.01 0.04 -0.04 -0.01 0.01 0.07 0.00 -0.03 -0.07 0.01 -0.06 0.04 0.06 -0.12 -0.01 -0.07 0.06 0.02 0.01 0.02 0.05 -0.01 -0.06 -0.16 -0.03 0.02 -0.08 0.05 0.03 0.03 -0.04 0.06 -0.05 0.00 0.39 0.07 -0.15 0.25 0.16 0.03 0.01 0.00 -0.01 -0.00 0.02 -0.04 -0.10 0.09 -0.03 -0.11 0.10 -0.05 -0.12 0.12 0.06 -0.01 -0.02 0.08 -0.00 -0.02 0.13 -0.04 -0.00 0.03 -0.04 0.17 -0.07 -0.20 -0.06 -0.09 0.18 0.03 -0.08 0.17 0.08 0.05 -0.02 -0.03 0.06 -0.03 0.01 0.11 -0.09 -0.03 -0.01 0.00 0.00 -0.00 -0.00 -0.08 0.05 0.02 -0.00 -0.02 -0.02 -0.02 -0.00 -0.01 0.00 -0.03 0.03 -0.01 0.00 0.00 -0.01 0.13 0.03 -0.03 0.00 0.04 -0.02 0.08 0.07 0.03 -0.13 -0.00 0.11 0.02 -0.09 -0.01 -0.01 -0.03 0.03 0.00 -0.00 -0.00 -0.05 0.08 0.02 -0.00 0.00 -0.02 0.00 -0.02 0.04 -0.00 0.01 -0.05 -0.01 0.04 0.06 -0.02 0.07 -0.03 0.01 -0.02 0.00 0.06 -0.08 -0.02 0.13 -0.06 -0.10 -0.22 0.10 0.15 -0.01 -0.21 -0.08 -0.33 -0.07 -0.11 0.13 -0.11 0.46 -0.05 -0.04 0.10 -0.16 -0.07 0.19 0.02 -0.07 -0.00 0.04 -0.08 -0.03 -0.01 -0.02 0.02 -0.01 -0.03 0.03 -0.01 -0.04 0.04 -0.00 -0.01 -0.01 0.02 -0.00 -0.01 -0.01 -0.01 0.00 0.01 -0.01 -0.04 -0.06 -0.01 -0.02 0.09 -0.30 -0.07 0.08 -0.30 -0.13 -0.04 -0.10 -0.00 -0.05 -0.10 -0.05 0.04 -0.02 0.01 -0.00 0.00 0.00 0.01 0.01 -0.00 0.02 0.02 0.00 -0.00 -0.01 -0.01 -0.00 -0.01 0.00 0.01 -0.01 0.00 -0.01 -0.05 -0.01 0.04 0.02 -0.07 -0.06 -0.03 0.11 -0.02 -0.02 0.05 -0.05 0.02 0.06 0.03 -0.03 -0.05 0.03 0.05 -0.06 -0.01 -0.02 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.02 -0.01 0.01 0.03 -0.00 0.02 -0.00 -0.02 0.01 0.03 -0.01 0.03 -0.01 0.01 -0.01 0.00 0.02 -0.02 -0.01 0.02 0.08 -0.04 0.25 -0.09 -0.32 -0.03 0.46 0.25 0.37 -0.04 0.06 -0.16 0.29 -0.14 -0.09 0.01 0.06 -0.04 0.01 0.01 0.02 0.15 0.09 0.00 -0.21 0.06 0.00 0.03 -0.03 0.00 0.05 -0.05 0.02 0.08 -0.10 0.01 0.04 0.04 -0.11 0.04 0.04 0.12 0.00 0.01 -0.03 0.01 -0.01 -0.04 -0.01 -0.01 0.02 -0.12 -0.01 0.04 -0.15 -0.05 -0.02 -0.10 -0.02 0.00 -0.13 -0.05 0.01 -0.02 0.01 0.02 0.01 0.00 0.00 -0.00 0.01 -0.01 -0.02 -0.00 0.01 0.01 0.01 -0.00 0.02 0.00 -0.03 0.04 0.00 -0.01 -0.01 -0.02 -0.04 0.05 -0.01 0.01 -0.00 -0.01 0.03 0.01 0.04 0.03 -0.04 -0.03 -0.16 -0.06 -0.03 -0.00 -0.01 0.00 0.02 -0.00 -0.01 0.03 -0.04 -0.01 -0.00 0.00 0.02 0.01 0.08 -0.10 0.02 0.03 0.14 0.05 0.10 -0.13 0.06 0.04 0.16 -0.01 0.02 -0.00 -0.08 -0.08 -0.02 -0.00 0.03 -0.00 -0.05 0.01 -0.01 -0.01 -0.03 -0.03 -0.02 -0.01 0.01 0.05 -0.02 0.07 0.02 -0.05 -0.03 0.03 -0.05 -0.02 -0.18 0.06 0.06 -0.25 -0.13 0.03 -0.01 -0.03 0.04 0.01 0.03 -0.01 -0.00 0.00 0.03 0.04 -0.00 0.00 -0.00 -0.00 0.01 0.03 -0.00 -0.01 0.01 -0.01 0.05 0.04 0.03 0.01 0.00 -0.26 -0.16 0.04 -0.46 -0.03 0.25 -0.21 -0.14 0.29 -0.39 -0.06 -0.01 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.01 0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 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 0.01 -0.07 -0.01 -0.01 0.06 0.01 0.01 -0.08 -0.01 -0.02 0.07 0.01 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.02 0.01 0.01 -0.01 0.00 0.02 -0.00 -0.02 -0.02 -0.00 0.01 0.01 0.00 -0.01 -0.01 0.01 0.01 -0.01 0.00 0.00 0.00 0.02 0.01 0.01 0.02 -0.00 0.00 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 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.07 0.45 0.14 0.07 -0.42 -0.13 -0.11 0.51 0.15 0.06 -0.48 -0.15 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.01 0.03 0.01 -0.00 -0.02 -0.01 0.00 -0.02 -0.00 0.03 -0.06 0.02 0.00 -0.12 -0.05 -0.04 -0.02 -0.04 0.02 0.09 0.14 0.06 0.04 0.03 0.00 0.07 0.03 -0.08 -0.04 -0.02 0.03 0.03 -0.08 -0.06 -0.03 -0.02 -0.02 0.08 0.02 0.01 -0.00 -0.02 0.02 -0.04 -0.05 0.02 -0.05 0.02 0.03 -0.03 -0.06 0.03 -0.04 0.04 0.01 -0.02 -0.00 -0.03 0.04 0.01 -0.09 -0.08 -0.11 -0.16 0.14 0.15 0.04 -0.05 0.12 -0.15 -0.08 -0.08 0.17 -0.20 0.17 -0.06 0.09 0.03 0.03 0.10 -0.06 -0.06 -0.02 -0.00 -0.02 -0.09 -0.01 -0.05 -0.06 0.14 0.04 0.21 -0.12 0.04 0.16 -0.06 -0.09 0.12 0.08 -0.27 0.13 0.07 0.24 0.01 0.01 -0.02 0.02 -0.07 -0.04 -0.03 -0.02 -0.04 0.23 0.03 -0.03 0.16 0.08 0.02 0.34 0.08 0.03 0.27 0.10 0.00 -0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.04 0.01 -0.00 0.01 0.00 -0.00 0.04 0.01 -0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.18 -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 -0.02 -0.01 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.02 -0.00 0.02 0.01 0.01 -0.01 -0.00 -0.00 0.01 0.02 -0.03 0.00 0.01 -0.00 -0.02 -0.00 0.00 -0.00 0.00 0.01 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.01 -0.00 0.00 0.95 0.20 -0.05 -0.00 0.02 0.01 -0.00 0.01 0.00 -0.01 0.03 0.01 -0.01 0.02 0.01 0.12 0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.02 -0.01 -0.03 -0.01 0.00 0.02 -0.01 -0.01 0.02 0.00 -0.01 0.10 -0.01 -0.01 0.07 0.02 0.07 0.02 -0.04 -0.05 -0.06 -0.07 0.02 -0.00 0.06 -0.02 -0.09 0.03 -0.08 -0.09 -0.03 -0.02 -0.02 0.05 0.05 0.02 0.00 -0.03 0.13 0.04 0.02 0.01 0.01 0.02 -0.05 -0.05 0.02 -0.06 0.01 0.03 -0.04 -0.06 0.04 -0.06 0.03 -0.00 0.02 0.00 -0.03 0.04 0.01 0.18 0.00 0.01 0.08 -0.08 -0.21 -0.08 0.17 -0.04 0.14 0.01 0.07 -0.10 0.23 0.08 -0.08 -0.16 0.05 -0.02 -0.12 0.01 -0.06 -0.00 0.04 -0.00 -0.18 0.00 0.03 0.04 -0.10 -0.02 -0.13 0.07 -0.03 -0.12 0.05 0.10 -0.07 -0.04 0.14 -0.07 -0.03 -0.11 -0.01 -0.00 0.00 -0.03 0.09 -0.08 0.02 0.01 -0.04 0.23 0.03 -0.03 0.19 0.08 0.00 0.43 0.10 0.00 0.39 0.13 -0.02 0.00 0.01 0.00 0.00 -0.00 -0.02 0.00 -0.08 0.02 0.01 0.01 -0.01 -0.01 -0.04 -0.00 -0.00 0.01 0.09 -0.04 0.01 0.02 -0.00 0.04 0.07 -0.01 0.06 0.01 -0.06 0.01 -0.08 0.00 -0.11 -0.03 -0.00 0.14 -0.08 0.03 0.14 0.02 0.04 -0.02 -0.03 0.00 0.02 -0.02 -0.01 0.01 -0.00 0.01 -0.03 0.01 0.02 -0.05 0.00 0.00 0.00 0.04 0.02 -0.04 0.01 0.00 0.03 0.01 -0.01 0.00 -0.01 -0.01 0.01 0.18 -0.15 -0.00 0.15 -0.09 -0.08 0.10 0.06 0.10 -0.02 -0.04 -0.14 -0.11 0.05 -0.09 -0.30 -0.05 0.18 0.04 0.02 -0.14 -0.21 -0.33 -0.20 -0.06 0.51 -0.14 0.01 0.07 -0.12 -0.03 -0.08 0.03 0.01 0.02 -0.09 -0.12 0.03 -0.00 0.03 0.01 -0.02 -0.01 0.01 -0.02 -0.01 0.01 -0.14 -0.00 0.03 -0.03 0.02 0.04 -0.06 -0.01 -0.03 -0.01 0.10 0.03 -0.00 0.03 -0.06 0.01 0.00 -0.04 0.03 0.00 0.00 -0.00 0.00 -0.00 0.03 0.01 -0.00 -0.00 0.03 0.01 0.02 0.03 0.01 -0.00 -0.03 0.02 -0.01 -0.02 -0.02 0.01 0.02 0.01 0.01 -0.01 -0.02 0.02 0.01 0.02 -0.02 -0.01 -0.00 -0.06 0.00 -0.01 0.04 0.01 0.02 -0.02 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.03 -0.00 0.01 0.00 0.00 -0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.16 -0.03 0.00 -0.00 0.00 0.00 0.02 -0.07 -0.06 0.02 -0.02 -0.09 0.05 0.06 0.08 -0.04 -0.06 -0.09 -0.00 0.01 0.09 0.15 0.01 -0.08 -0.05 -0.02 0.11 -0.02 -0.12 -0.06 0.03 0.11 -0.04 0.00 0.01 -0.02 0.01 0.02 -0.02 0.01 0.01 -0.02 0.00 0.01 0.00 0.00 0.01 -0.00 0.05 -0.00 -0.01 0.01 -0.01 0.06 -0.12 -0.04 0.02 0.01 0.01 -0.01 -0.00 0.00 -0.01 0.01 0.02 0.01 -0.01 0.00 0.00 0.87 0.21 -0.05 -0.00 -0.00 0.00 -0.01 0.00 -0.07 0.00 0.01 0.01 0.01 -0.00 -0.04 0.02 0.00 0.00 0.08 -0.06 0.03 0.04 0.04 -0.01 -0.03 -0.03 -0.02 0.02 0.05 -0.05 -0.02 -0.04 0.04 0.02 0.01 0.12 -0.01 0.03 -0.08 -0.01 -0.03 0.04 -0.04 0.02 0.01 -0.00 -0.00 -0.01 0.01 0.01 -0.02 -0.00 -0.00 0.01 0.00 -0.00 0.02 -0.01 0.00 0.00 0.01 0.00 0.01 -0.09 -0.03 0.01 -0.00 -0.00 -0.01 -0.04 0.14 0.12 -0.04 0.05 0.20 -0.11 -0.13 -0.19 0.09 0.13 0.20 -0.00 -0.02 -0.21 -0.33 -0.02 0.16 0.12 0.05 -0.23 0.04 0.27 0.13 -0.08 -0.24 0.09 -0.01 -0.03 0.04 -0.02 -0.04 0.05 -0.01 -0.02 0.03 -0.01 -0.02 -0.01 -0.01 -0.02 0.00 -0.12 0.01 0.02 -0.03 0.02 -0.14 -0.07 0.01 -0.02 -0.01 -0.02 0.02 0.01 -0.00 0.02 -0.02 -0.04 -0.02 0.04 0.00 -0.01 0.50 0.07 0.00 -0.00 -0.00 0.00 0.00 0.00 0.02 0.02 0.03 0.00 -0.00 -0.01 0.01 0.00 -0.02 -0.00 0.00 -0.13 0.01 0.06 -0.04 0.13 0.01 -0.02 -0.01 -0.00 -0.08 -0.10 -0.02 0.07 0.04 -0.03 0.06 -0.05 -0.03 0.00 -0.06 0.07 0.08 -0.05 -0.04 0.01 0.10 -0.01 0.02 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.02 0.00 -0.00 -0.01 0.02 -0.01 0.01 0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.13 0.02 -0.05 -0.09 -0.05 -0.18 0.04 -0.03 -0.05 -0.17 0.10 0.05 -0.06 0.11 0.21 0.18 0.14 -0.08 -0.06 0.09 0.10 -0.00 0.16 0.07 -0.09 -0.15 0.05 0.00 0.10 -0.17 -0.06 -0.09 0.05 0.04 0.13 -0.23 -0.43 0.01 -0.08 0.39 -0.06 -0.16 -0.19 0.03 -0.12 0.01 0.03 -0.13 0.01 -0.03 -0.01 0.00 -0.03 -0.00 0.01 -0.03 0.01 -0.01 0.05 0.00 0.03 0.08 0.02 -0.01 0.01 -0.02 -0.00 -0.00 -0.00 0.00 0.01 0.05 0.02 0.01 -0.01 -0.00 0.00 0.02 0.00 -0.01 0.00 0.03 -0.06 -0.03 0.10 0.03 -0.05 0.06 -0.01 -0.01 0.01 0.02 0.01 -0.03 -0.01 -0.01 -0.07 0.01 -0.05 -0.03 0.01 0.01 0.05 -0.07 0.06 -0.09 0.06 -0.05 -0.01 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.02 -0.01 -0.00 0.02 0.01 0.01 -0.01 -0.02 0.01 -0.02 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.04 -0.00 -0.02 0.11 -0.02 0.07 -0.07 0.04 -0.04 0.07 -0.01 0.00 -0.07 0.07 -0.04 0.22 0.02 -0.08 -0.13 0.01 0.19 -0.09 0.02 -0.01 -0.05 0.07 -0.01 -0.23 -0.16 0.15 -0.22 -0.14 0.22 0.01 0.27 -0.27 0.31 -0.12 0.02 -0.31 -0.05 0.13 -0.31 -0.02 0.18 -0.00 0.03 -0.05 0.01 -0.01 -0.00 0.02 -0.08 -0.04 0.02 -0.11 -0.03 0.01 0.10 0.02 -0.00 0.12 0.04 -0.01 0.03 -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 -0.01 -0.00 0.02 0.01 -0.00 0.01 -0.02 -0.02 -0.02 -0.00 -0.00 0.02 0.00 0.01 -0.01 0.00 -0.01 -0.02 -0.00 -0.00 0.01 -0.01 0.01 -0.02 0.01 -0.00 -0.01 0.04 0.01 0.00 -0.00 0.00 0.01 -0.06 -0.02 0.02 -0.09 -0.03 -0.00 0.06 0.01 -0.01 0.09 0.03 0.00 0.00 0.00 0.00 -0.02 -0.00 0.00 -0.03 -0.03 -0.01 0.00 -0.04 -0.03 0.04 -0.00 -0.00 -0.01 0.00 0.00 0.02 0.05 0.03 0.00 -0.01 -0.02 0.00 0.03 -0.02 -0.01 -0.01 0.03 -0.02 -0.01 -0.05 -0.02 0.01 -0.05 -0.05 0.06 0.00 0.06 -0.08 0.05 -0.03 0.00 -0.04 -0.02 0.02 -0.07 -0.00 0.03 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.06 0.39 0.11 -0.09 0.55 0.16 0.07 -0.34 -0.10 0.09 -0.51 -0.15 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.03 -0.01 -0.05 0.12 0.03 -0.17 0.00 -0.07 0.31 -0.17 -0.05 0.07 0.02 0.04 -0.03 0.00 -0.06 0.03 -0.00 0.03 -0.06 -0.01 -0.02 0.06 0.01 0.06 0.01 0.05 0.03 -0.03 0.00 0.06 -0.02 -0.00 -0.04 0.02 -0.00 0.01 -0.01 -0.00 -0.00 0.06 0.17 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.01 -0.00 -0.01 0.02 -0.15 -0.16 0.00 0.00 0.00 -0.07 -0.01 -0.03 -0.00 -0.04 -0.10 0.07 -0.01 0.03 -0.10 0.02 -0.03 -0.02 0.03 0.11 -0.16 0.08 0.06 0.09 -0.04 -0.13 0.07 -0.08 -0.02 0.06 -0.03 -0.00 -0.16 -0.11 0.11 -0.14 -0.04 0.10 0.03 0.25 -0.23 0.04 -0.04 -0.00 -0.07 -0.03 0.03 -0.11 -0.00 0.04 0.04 -0.03 0.10 0.08 -0.35 0.23 -0.00 -0.02 0.00 -0.00 -0.01 -0.01 -0.02 0.01 0.01 -0.02 0.01 -0.00 0.08 -0.39 0.02 0.00 -0.00 -0.00 0.00 -0.01 -0.05 -0.03 -0.01 -0.03 -0.01 0.05 -0.02 0.02 -0.08 0.05 -0.06 0.11 0.04 0.04 -0.04 0.01 -0.09 0.04 0.00 0.05 -0.08 -0.01 -0.03 0.08 0.01 0.09 -0.01 0.03 0.05 -0.05 0.00 0.07 -0.03 -0.01 -0.04 0.02 -0.00 0.02 -0.01 -0.00 0.00 -0.01 -0.04 -0.01 0.06 0.02 0.00 -0.03 -0.01 -0.00 -0.06 0.00 -0.02 0.04 -0.01 -0.01 0.05 0.05 0.00 0.00 0.00 -0.10 -0.00 -0.04 0.00 -0.06 -0.13 0.10 -0.02 0.04 -0.14 0.03 -0.03 -0.02 0.04 0.13 -0.23 -0.08 0.08 0.15 -0.03 -0.22 0.11 -0.10 -0.02 0.10 -0.06 -0.01 -0.19 -0.14 0.15 -0.15 -0.02 0.10 0.04 0.30 -0.26 0.04 -0.04 -0.00 -0.07 -0.03 0.03 -0.11 -0.00 0.03 -0.00 -0.04 0.11 -0.04 0.13 -0.07 0.05 -0.34 -0.09 -0.04 0.20 0.05 -0.07 0.27 0.09 0.00 -0.19 -0.07 -0.01 0.10 0.01 0.00 0.00 0.00 0.00 -0.00 -0.02 -0.01 -0.00 -0.01 -0.00 0.02 -0.01 0.01 -0.03 0.02 -0.02 0.04 0.02 0.02 -0.02 0.00 -0.03 0.01 0.00 0.01 -0.03 -0.00 -0.01 0.03 0.00 0.04 -0.01 0.01 0.01 -0.02 0.00 0.03 -0.01 -0.00 -0.02 0.01 -0.00 0.01 0.00 -0.00 0.00 -0.01 -0.02 0.01 -0.10 -0.03 -0.01 0.07 0.02 -0.02 0.08 0.03 0.00 -0.06 -0.02 -0.00 0.02 0.02 0.00 -0.00 -0.00 -0.04 -0.01 -0.02 -0.00 -0.02 -0.07 0.04 0.00 0.02 -0.06 0.00 -0.02 -0.00 0.01 0.07 -0.09 -0.03 0.03 0.06 -0.01 -0.08 0.04 -0.05 -0.01 0.05 -0.02 -0.01 -0.08 -0.05 0.05 -0.07 -0.02 0.05 0.02 0.12 -0.11 0.03 -0.02 0.00 -0.03 -0.01 0.02 -0.05 -0.00 0.02 -0.00 -0.02 0.04 -0.02 0.05 -0.02 -0.09 0.54 0.16 0.06 -0.38 -0.12 0.07 -0.47 -0.13 -0.07 0.33 0.10 -0.01 0.04 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.03 -0.01 0.01 0.01 0.00 -0.00 -0.02 0.00 -0.01 0.00 -0.03 -0.10 0.06 -0.04 0.05 0.00 -0.04 -0.02 0.00 -0.15 -0.00 -0.01 0.17 -0.03 0.02 0.07 0.04 0.01 0.00 0.03 0.03 0.00 0.02 0.03 0.05 0.05 -0.03 0.00 -0.02 -0.00 0.00 0.00 -0.01 -0.00 0.02 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 -0.23 -0.13 -0.19 -0.16 0.03 -0.32 -0.08 0.24 0.10 0.00 -0.21 -0.14 0.20 -0.13 0.22 -0.09 0.13 0.02 0.12 0.06 -0.17 -0.01 -0.05 -0.04 0.02 0.10 -0.02 0.01 0.07 -0.13 -0.06 -0.14 0.10 -0.02 -0.05 -0.05 0.34 -0.15 -0.03 0.01 -0.12 0.05 -0.24 -0.03 0.10 -0.01 0.04 -0.18 -0.01 -0.01 -0.01 0.01 -0.07 -0.02 0.01 -0.05 -0.02 0.00 0.04 0.01 -0.01 0.02 0.01 0.01 -0.01 0.01 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.00 -0.01 -0.01 -0.00 0.01 0.02 -0.00 0.01 0.00 0.02 0.11 -0.02 0.05 -0.04 0.06 -0.00 -0.03 0.03 -0.10 0.07 -0.04 0.07 -0.09 -0.04 -0.03 -0.04 -0.00 -0.00 0.04 -0.01 0.07 0.05 0.03 -0.04 -0.06 0.00 0.01 -0.01 -0.01 -0.00 -0.00 0.01 -0.00 0.01 0.01 -0.00 0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.10 0.05 0.15 -0.30 0.14 -0.16 -0.04 0.01 -0.01 0.02 0.01 0.04 0.16 -0.24 -0.19 0.02 -0.12 0.01 -0.05 -0.05 0.07 0.03 0.06 0.02 -0.03 0.00 0.02 -0.07 0.09 -0.22 -0.17 -0.29 0.23 0.02 0.12 -0.33 -0.20 0.15 0.07 -0.14 0.13 0.01 0.32 0.01 -0.04 0.03 -0.05 0.17 0.00 0.02 0.01 0.00 -0.04 -0.00 0.00 -0.03 -0.00 -0.02 0.01 0.00 0.00 0.01 -0.00 -0.01 0.02 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.01 0.00 -0.00 0.02 -0.00 -0.00 -0.00 -0.03 0.04 0.02 0.03 -0.03 0.02 0.02 0.02 -0.04 -0.06 0.08 -0.01 0.03 -0.09 0.01 0.00 -0.00 -0.00 0.00 -0.01 0.06 0.02 -0.06 -0.07 -0.00 0.04 0.09 0.00 -0.01 0.01 -0.00 0.00 -0.01 -0.00 0.01 -0.02 -0.00 0.01 -0.01 0.01 0.00 -0.00 -0.01 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.06 0.01 -0.03 -0.08 0.08 0.04 -0.24 0.08 -0.14 0.21 -0.10 0.01 0.02 -0.02 -0.14 -0.00 -0.02 -0.00 -0.00 -0.01 -0.00 -0.11 -0.10 -0.06 0.11 0.11 -0.04 -0.11 -0.23 0.38 0.03 0.32 -0.16 0.04 0.23 0.04 -0.24 -0.06 -0.09 0.38 -0.11 -0.12 -0.26 0.02 -0.09 0.02 -0.02 0.07 -0.00 0.01 -0.01 0.00 0.01 -0.03 0.01 -0.01 -0.01 0.04 -0.00 0.02 -0.04 -0.00 0.00 -0.00 0.01 -0.02 0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 0.00 -0.00 0.01 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 -0.01 -0.01 -0.00 0.00 0.01 -0.03 -0.01 -0.00 0.00 -0.01 0.01 0.08 -0.06 0.26 0.06 0.09 -0.26 0.02 0.06 -0.18 0.03 -0.05 0.18 -0.00 0.01 0.00 -0.16 -0.03 -0.00 0.01 -0.00 0.00 -0.01 0.01 0.00 -0.01 0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.06 -0.02 -0.00 0.04 0.01 -0.00 -0.01 -0.02 0.03 -0.00 0.02 -0.01 0.00 0.03 -0.01 -0.02 -0.00 -0.01 0.03 -0.00 -0.01 -0.01 0.00 -0.01 0.00 -0.00 0.01 0.00 -0.01 0.01 -0.16 -0.16 0.40 -0.18 0.08 -0.40 -0.23 0.06 -0.32 -0.21 -0.13 0.32 0.00 -0.01 0.02 0.00 0.00 0.00 -0.01 0.01 -0.05 -0.02 0.06 -0.08 0.03 -0.08 0.46 -0.01 0.01 -0.11 0.02 -0.00 0.07 -0.02 0.01 0.01 0.00 -0.00 0.03 -0.00 -0.02 0.00 -0.01 0.01 -0.02 0.03 -0.04 0.01 0.00 0.00 -0.02 -0.01 0.00 -0.01 0.01 0.01 -0.02 -0.00 0.01 -0.01 -0.04 0.15 -0.23 0.01 -0.01 0.03 0.00 0.00 -0.01 -0.00 0.00 -0.01 0.01 -0.00 0.02 0.03 -0.14 -0.02 -0.01 -0.00 -0.00 -0.06 -0.00 0.00 0.04 -0.03 -0.03 0.06 -0.00 0.05 -0.05 0.00 -0.03 -0.01 -0.00 0.02 -0.06 -0.31 0.06 0.04 -0.01 -0.04 0.07 0.04 0.03 -0.07 -0.04 0.02 0.01 0.00 0.01 0.01 0.02 -0.02 -0.00 -0.01 0.02 0.12 -0.03 0.01 -0.04 -0.01 0.02 -0.02 -0.01 0.04 0.02 -0.01 -0.02 -0.09 0.36 -0.28 -0.01 -0.01 0.04 -0.02 0.02 -0.02 -0.04 0.00 -0.03 0.00 -0.01 0.02 -0.08 0.30 -0.41 -0.00 -0.00 0.00 -0.02 -0.01 -0.04 0.00 0.00 0.00 -0.00 0.00 -0.03 0.00 -0.00 0.01 0.00 0.02 0.05 -0.06 -0.02 0.03 0.09 -0.01 0.17 -0.05 -0.01 0.04 -0.01 -0.02 -0.15 -0.01 0.01 -0.02 -0.01 -0.00 -0.10 0.01 -0.02 -0.06 0.04 0.05 -0.01 -0.01 0.05 -0.03 0.00 -0.02 0.02 0.01 -0.02 0.03 -0.01 -0.02 0.04 -0.02 -0.01 0.01 0.02 -0.00 0.02 -0.00 0.01 0.00 0.00 0.01 -0.02 0.11 0.09 0.25 -0.05 0.01 -0.11 0.25 -0.02 0.25 -0.14 0.03 -0.11 0.04 -0.13 -0.09 0.05 -0.00 -0.02 -0.02 0.01 0.05 0.26 0.18 0.14 -0.39 -0.12 0.09 -0.08 -0.12 0.21 0.01 0.20 -0.10 0.03 0.15 -0.00 0.20 -0.13 -0.05 0.11 -0.12 0.00 -0.22 -0.01 0.06 0.02 -0.02 0.01 0.01 -0.06 0.03 0.01 0.02 0.03 -0.03 0.04 0.05 -0.11 -0.00 -0.03 0.12 0.03 -0.03 0.00 -0.02 0.03 0.00 -0.00 0.00 -0.02 -0.01 -0.09 0.00 -0.01 -0.04 -0.00 0.00 0.00 -0.00 0.01 0.01 0.02 0.05 0.17 0.06 0.06 -0.00 0.03 -0.08 0.02 -0.01 -0.00 -0.02 0.01 0.01 -0.01 0.00 0.02 -0.06 -0.01 0.06 -0.02 -0.02 -0.02 -0.00 -0.03 -0.05 -0.00 0.00 0.00 -0.03 0.01 -0.03 0.05 0.01 -0.00 0.02 -0.01 -0.00 0.02 -0.01 -0.01 0.01 0.01 -0.00 0.01 -0.01 0.02 -0.01 -0.00 0.00 -0.01 -0.24 -0.27 -0.29 0.30 -0.12 0.13 -0.25 0.10 -0.17 0.06 -0.15 -0.14 -0.15 0.26 0.25 0.10 -0.17 -0.03 -0.01 0.11 0.08 0.11 0.06 0.02 -0.17 0.06 0.03 0.00 -0.05 0.10 0.01 0.04 -0.03 -0.00 -0.01 0.08 -0.14 0.12 0.06 -0.10 0.11 -0.00 0.24 0.00 -0.03 0.04 -0.05 0.06 0.03 -0.10 0.06 0.04 -0.01 -0.00 -0.04 -0.02 0.00 -0.08 -0.01 -0.03 0.08 0.02 -0.03 -0.01 0.04 -0.02 -0.04 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.01 -0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.03 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 -0.09 0.00 -0.05 -0.09 -0.03 0.05 0.02 0.04 -0.13 0.03 -0.03 0.12 -0.00 0.00 -0.00 0.35 0.06 0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.01 0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.05 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.01 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.35 -0.08 0.08 -0.35 -0.04 -0.09 -0.36 0.05 -0.36 -0.35 -0.16 0.36 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.07 0.00 0.02 -0.02 0.00 -0.01 0.00 -0.00 0.00 0.01 -0.05 -0.10 0.18 -0.06 0.01 0.05 0.02 0.23 0.05 0.01 0.05 -0.07 -0.03 -0.08 -0.04 0.01 0.04 -0.06 0.04 -0.17 0.02 0.04 0.02 0.01 0.02 -0.04 -0.04 -0.01 0.02 0.05 0.01 -0.02 0.02 -0.02 -0.01 -0.03 0.03 0.00 -0.03 0.03 0.01 -0.02 -0.03 -0.00 -0.02 -0.00 0.01 -0.00 -0.00 -0.01 0.03 -0.14 0.42 0.13 0.10 -0.01 0.20 0.01 -0.14 -0.11 0.19 -0.10 -0.05 -0.08 0.06 -0.19 0.11 0.01 -0.06 0.01 0.17 0.03 -0.14 -0.11 -0.01 0.13 -0.11 -0.03 -0.01 0.04 -0.08 -0.06 -0.09 0.09 0.01 0.07 -0.13 0.06 0.07 0.06 -0.12 0.07 0.02 0.21 -0.02 0.03 -0.02 0.02 -0.20 0.03 -0.14 0.04 -0.13 0.01 0.04 0.13 0.06 0.05 0.20 0.01 0.07 -0.18 -0.05 0.07 -0.01 0.03 -0.02 -0.00 -0.00 0.00 0.01 0.00 0.04 -0.01 -0.01 0.03 0.00 0.00 -0.01 0.00 -0.01 -0.01 -0.05 -0.05 -0.07 0.03 0.02 -0.04 -0.02 0.11 0.05 -0.00 0.03 -0.00 0.01 -0.01 -0.02 0.03 -0.01 0.02 0.02 -0.06 0.01 0.01 -0.00 0.03 -0.01 -0.03 0.03 -0.01 0.03 -0.05 -0.01 0.03 -0.03 0.05 -0.01 0.03 -0.05 -0.02 0.03 -0.05 -0.01 0.02 0.05 -0.00 0.03 0.00 -0.01 0.00 0.01 0.01 -0.04 -0.01 0.01 -0.02 0.15 -0.03 0.13 -0.19 0.06 -0.13 0.14 -0.21 -0.19 -0.02 0.05 0.01 -0.05 0.19 -0.00 0.03 -0.11 -0.07 0.25 -0.18 0.00 -0.18 0.04 0.01 -0.01 0.02 -0.05 -0.03 -0.08 0.07 -0.00 -0.01 -0.05 -0.17 0.06 0.00 0.03 0.05 -0.03 0.08 0.01 -0.07 -0.01 0.03 -0.09 -0.03 0.12 -0.05 0.28 0.09 -0.09 -0.29 0.00 -0.08 -0.36 -0.02 -0.14 0.33 0.09 -0.12 0.00 -0.02 0.01 -0.00 -0.00 0.00 -0.02 -0.00 -0.01 0.03 0.02 -0.06 -0.00 -0.00 0.02 -0.01 0.02 0.02 0.24 0.02 -0.01 0.07 -0.00 -0.07 -0.17 0.12 0.04 -0.03 -0.07 0.03 0.02 0.06 -0.01 -0.10 -0.02 -0.01 0.02 -0.07 0.00 -0.04 -0.01 0.02 -0.03 0.04 0.04 0.01 -0.00 -0.01 0.01 -0.04 0.05 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.00 0.00 0.00 -0.00 -0.12 0.11 0.05 -0.00 -0.05 -0.22 -0.10 0.15 0.02 -0.04 -0.16 -0.21 0.21 -0.28 -0.13 0.11 -0.39 0.03 -0.10 0.26 0.16 0.15 -0.15 -0.02 0.07 -0.10 0.01 0.09 0.03 -0.01 0.08 -0.00 -0.05 -0.03 -0.13 0.13 -0.08 -0.05 -0.05 0.11 -0.04 -0.03 -0.20 0.02 -0.02 -0.04 0.00 -0.01 0.05 -0.21 0.07 0.00 0.00 0.01 -0.02 0.00 -0.01 -0.05 -0.01 -0.02 0.00 -0.00 -0.00 -0.01 0.04 -0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.03 0.01 0.02 -0.03 0.00 -0.01 0.01 -0.00 0.01 0.01 0.02 0.01 0.07 -0.05 -0.03 0.05 0.01 -0.01 -0.08 0.02 -0.00 -0.02 -0.03 -0.02 0.05 -0.02 0.01 -0.02 -0.00 0.00 0.05 0.01 0.02 -0.02 0.02 0.02 -0.03 -0.01 -0.01 -0.01 0.01 -0.03 0.02 0.06 0.01 0.00 -0.06 -0.01 -0.00 -0.05 -0.01 0.01 0.06 0.00 0.02 -0.00 0.01 0.00 -0.01 0.00 -0.02 0.05 0.06 0.00 -0.18 0.07 -0.06 0.17 -0.11 0.06 -0.02 0.16 0.21 -0.00 -0.04 -0.12 0.04 -0.15 0.00 -0.01 0.14 0.04 -0.21 -0.02 -0.04 0.22 0.03 -0.04 0.01 0.02 -0.01 0.01 0.03 -0.02 0.01 0.02 -0.02 0.18 -0.05 0.00 -0.05 -0.04 0.03 -0.05 -0.02 0.07 -0.00 -0.01 0.02 0.04 -0.16 0.04 0.36 0.10 -0.16 -0.36 -0.03 -0.17 -0.30 -0.02 -0.13 0.32 0.09 -0.13 -0.00 0.03 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 0.06 -0.01 -0.01 0.04 0.02 -0.01 0.04 -0.09 -0.01 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.04 -0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.03 -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 0.01 0.00 0.20 0.00 0.00 -0.00 0.00 -0.03 -0.02 0.02 -0.00 0.02 -0.02 0.00 -0.02 0.01 -0.02 -0.01 -0.01 0.02 0.02 -0.00 -0.10 -0.01 0.01 -0.04 -0.02 0.03 -0.00 0.00 -0.03 0.02 -0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.01 0.00 0.01 -0.01 -0.01 0.01 0.00 -0.00 0.01 -0.00 0.02 0.00 -0.01 -0.01 -0.00 -0.00 0.14 -0.65 -0.06 -0.02 -0.01 0.01 0.02 -0.00 0.01 0.01 0.00 0.00 -0.01 -0.00 0.01 0.10 -0.38 0.55 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.01 -0.02 0.04 -0.01 0.02 -0.01 0.00 -0.01 -0.03 0.07 -0.02 -0.03 -0.02 0.14 0.08 -0.04 -0.01 0.03 -0.07 -0.05 -0.03 0.06 0.03 -0.03 -0.03 -0.01 0.00 0.01 -0.00 0.00 0.01 -0.06 -0.04 0.00 -0.06 -0.02 -0.02 -0.03 0.04 -0.00 0.02 -0.02 0.00 0.01 -0.01 -0.03 0.00 -0.03 0.00 0.00 -0.01 0.03 0.01 -0.01 0.00 -0.02 0.01 -0.00 -0.00 0.02 -0.05 0.17 0.17 0.28 -0.16 0.04 0.04 0.08 0.08 -0.21 0.14 0.05 0.09 -0.05 0.12 0.06 0.14 -0.03 -0.04 -0.08 0.04 -0.24 0.10 -0.00 0.31 -0.14 -0.01 -0.06 -0.16 0.23 -0.04 0.18 -0.06 0.03 0.18 0.05 -0.03 0.12 0.08 -0.09 0.12 -0.01 0.25 -0.01 0.00 -0.00 -0.01 0.01 -0.05 0.24 -0.05 0.03 0.01 -0.03 -0.17 -0.00 -0.11 0.09 0.00 0.04 0.13 0.04 -0.07 0.04 -0.15 0.13 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.01 -0.00 0.00 -0.01 -0.01 0.02 -0.00 -0.00 -0.01 0.02 0.03 -0.01 0.00 -0.00 -0.01 -0.01 -0.01 0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.05 0.02 -0.03 0.05 0.00 0.03 -0.05 -0.00 -0.02 -0.04 -0.01 0.02 0.00 -0.00 0.00 -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.00 0.02 -0.00 0.00 -0.01 0.01 0.01 0.00 0.00 0.01 0.02 0.04 -0.01 -0.01 -0.02 0.02 0.01 -0.00 0.01 0.00 0.01 -0.01 -0.00 -0.02 0.04 -0.00 0.04 -0.02 0.01 0.03 0.01 0.03 0.02 0.02 -0.03 0.01 0.01 0.04 -0.00 0.02 0.00 -0.01 0.02 -0.02 0.08 -0.01 0.43 0.14 -0.23 0.44 0.00 0.24 -0.42 -0.00 -0.23 -0.40 -0.13 0.22 0.01 -0.05 0.04 -0.00 -0.00 -0.00 -0.01 0.00 -0.02 0.01 -0.04 0.06 -0.01 0.05 -0.01 0.00 -0.03 -0.06 0.08 0.02 0.03 0.02 -0.05 0.11 -0.03 0.04 -0.03 0.03 0.01 -0.05 -0.03 -0.03 0.04 -0.04 -0.00 -0.02 -0.00 -0.01 0.01 -0.03 0.02 -0.03 -0.01 0.03 -0.05 0.01 0.01 -0.03 -0.01 0.02 -0.01 -0.02 -0.01 0.02 0.00 -0.00 0.01 0.02 -0.00 0.01 -0.01 -0.00 0.00 0.01 -0.03 0.01 0.00 0.00 -0.01 -0.10 -0.08 -0.16 -0.21 0.09 -0.05 0.02 -0.08 -0.08 0.14 -0.12 -0.04 -0.07 0.07 -0.05 0.12 0.18 -0.06 -0.07 -0.08 0.08 0.24 -0.16 -0.02 -0.18 0.09 0.01 0.10 0.04 -0.01 0.08 0.07 -0.09 -0.00 -0.04 0.09 0.21 -0.03 0.02 -0.14 -0.05 0.06 -0.06 -0.02 0.13 0.04 -0.05 0.19 -0.10 0.45 -0.07 -0.15 -0.05 0.09 -0.02 0.00 0.00 0.07 -0.00 0.04 0.06 0.02 -0.03 0.07 -0.30 0.25 -0.00 -0.00 -0.00 0.00 -0.00 0.03 -0.00 0.06 0.01 0.01 -0.05 -0.02 -0.00 0.01 0.06 0.05 -0.02 -0.09 -0.11 0.07 0.11 -0.05 0.02 -0.05 -0.01 0.01 -0.06 0.02 -0.02 0.06 -0.02 -0.04 0.02 0.00 0.02 0.01 0.04 -0.03 -0.04 0.03 -0.03 -0.03 -0.03 0.01 -0.06 -0.00 0.00 -0.02 -0.03 -0.01 0.03 0.01 -0.01 0.03 0.03 0.00 0.01 -0.01 -0.01 0.02 -0.00 0.02 -0.02 0.00 0.01 -0.02 0.12 -0.13 -0.08 0.02 -0.01 0.08 0.14 -0.09 0.02 0.07 -0.04 0.03 -0.04 0.10 0.05 -0.03 -0.11 0.03 0.00 0.10 -0.01 0.44 -0.24 -0.04 -0.21 0.12 0.02 -0.11 -0.11 0.13 -0.09 0.14 -0.00 0.05 0.21 -0.07 0.09 0.06 0.06 -0.04 0.05 -0.00 0.16 -0.02 0.03 -0.01 0.02 -0.08 0.08 -0.35 0.03 -0.13 -0.04 0.08 0.11 -0.01 0.09 0.06 0.00 0.03 0.05 0.01 -0.01 -0.07 0.26 -0.24 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.01 0.01 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.02 -0.01 -0.01 -0.03 0.03 0.02 -0.02 0.01 -0.01 -0.01 -0.00 -0.01 0.01 0.00 0.01 -0.01 -0.01 0.00 -0.15 -0.05 0.00 0.02 -0.01 -0.01 0.01 -0.01 -0.00 0.34 0.07 0.00 0.00 0.00 -0.01 0.06 0.01 0.01 0.06 0.01 -0.00 -0.08 -0.04 0.08 -0.09 0.00 -0.07 -0.00 0.00 -0.00 0.01 0.00 -0.01 0.03 -0.02 -0.01 0.06 -0.03 0.04 0.02 -0.00 0.01 -0.01 0.01 0.02 0.01 -0.00 0.01 0.01 0.01 -0.00 -0.01 0.01 0.01 -0.37 0.03 -0.01 -0.33 0.06 -0.00 -0.04 -0.03 0.04 -0.03 0.03 0.01 0.01 0.06 -0.03 0.00 0.02 0.01 0.00 0.02 -0.01 0.05 -0.00 -0.00 -0.00 0.01 -0.07 0.00 -0.02 -0.00 -0.29 -0.11 0.21 -0.38 0.02 -0.26 -0.32 -0.04 -0.05 -0.27 -0.05 0.02 -0.01 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 -0.01 -0.03 0.08 0.08 0.01 -0.07 -0.05 0.00 -0.00 0.06 -0.04 0.01 -0.01 0.18 -0.03 0.12 -0.00 0.01 0.03 -0.01 -0.02 -0.00 0.01 -0.00 -0.05 0.03 -0.07 -0.01 0.00 -0.02 -0.00 -0.08 0.02 -0.04 -0.05 0.02 -0.06 0.01 -0.00 0.02 -0.01 0.04 -0.08 0.01 0.00 -0.01 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.00 -0.00 0.01 -0.00 0.12 0.12 -0.09 0.01 -0.13 -0.22 0.10 -0.13 -0.07 0.04 -0.02 -0.01 0.02 0.03 0.00 0.16 -0.04 0.01 -0.15 -0.00 -0.12 0.06 0.01 0.05 -0.04 -0.01 0.20 0.06 0.03 0.18 0.09 -0.18 -0.03 -0.14 0.25 0.13 0.02 0.04 -0.27 -0.01 0.10 -0.05 -0.02 0.14 0.02 -0.03 0.11 0.08 -0.38 -0.02 0.03 0.01 -0.02 -0.04 0.01 -0.03 -0.01 -0.00 -0.01 -0.01 -0.00 0.00 -0.08 0.32 -0.28 0.00 0.00 -0.00 -0.02 0.01 -0.03 -0.02 0.08 0.17 0.01 -0.05 -0.07 0.01 -0.03 0.03 0.13 0.06 0.06 -0.13 -0.06 -0.10 -0.02 -0.03 0.04 0.01 0.04 -0.01 -0.02 0.01 0.02 -0.02 -0.10 -0.04 -0.01 0.02 -0.01 0.05 0.02 0.04 0.03 0.03 0.04 -0.00 -0.02 0.03 -0.02 0.07 -0.10 0.01 0.01 -0.02 -0.01 0.00 -0.02 -0.01 0.00 -0.01 0.01 0.01 -0.01 0.00 -0.01 -0.01 -0.00 -0.01 0.02 -0.22 -0.10 -0.13 0.16 -0.02 0.19 0.13 -0.11 0.05 0.13 -0.19 -0.14 -0.06 0.08 0.06 0.18 0.26 -0.12 -0.07 -0.20 0.10 -0.13 0.09 0.00 0.24 -0.13 -0.00 -0.10 0.02 -0.11 -0.08 -0.13 0.13 0.01 0.02 -0.19 -0.02 -0.10 -0.07 0.23 -0.08 -0.05 -0.06 0.03 -0.08 0.03 -0.06 0.29 0.02 -0.09 -0.08 0.06 0.02 -0.05 -0.04 -0.00 -0.04 0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.03 0.12 -0.13 0.00 0.00 -0.00 0.00 0.00 0.02 0.01 -0.02 -0.06 -0.00 0.02 0.02 -0.00 0.01 0.00 0.02 0.00 -0.10 -0.00 -0.05 0.05 -0.05 -0.02 0.08 0.01 0.07 -0.03 0.02 -0.04 -0.04 -0.00 0.03 0.03 -0.01 0.01 -0.02 -0.00 0.01 -0.01 0.00 0.02 -0.02 0.01 -0.02 0.04 0.01 -0.02 0.03 0.01 0.01 -0.02 -0.01 0.00 -0.02 -0.02 0.00 -0.01 0.01 0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 0.02 -0.08 0.03 0.11 -0.07 0.09 0.09 0.15 -0.14 0.02 0.18 -0.31 -0.26 -0.30 0.50 0.39 -0.09 -0.15 0.07 0.02 0.06 -0.03 -0.13 0.09 0.00 0.23 -0.18 0.01 0.02 0.02 -0.03 0.03 0.03 -0.03 0.00 -0.00 -0.00 0.08 -0.03 -0.01 -0.03 -0.04 0.02 -0.06 -0.00 0.05 -0.01 0.00 0.01 0.01 -0.03 0.03 0.05 0.01 -0.04 -0.05 -0.00 -0.04 -0.00 -0.00 -0.00 -0.02 -0.01 0.00 0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.00 -0.02 -0.00 0.02 0.01 0.00 -0.00 0.01 -0.01 0.01 -0.03 -0.06 -0.13 0.08 -0.00 -0.01 -0.00 -0.03 0.02 -0.02 0.03 0.04 -0.01 -0.00 0.01 0.01 -0.01 0.01 -0.00 0.02 0.04 -0.01 0.02 0.04 -0.02 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 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.02 -0.00 0.00 -0.00 0.13 -0.03 0.05 0.56 -0.20 0.36 -0.41 0.12 -0.26 -0.13 0.10 0.02 0.15 -0.17 -0.04 -0.03 -0.07 0.03 0.01 0.07 -0.02 0.05 -0.01 -0.00 0.07 -0.04 0.00 -0.00 0.06 -0.10 0.03 -0.04 -0.00 0.00 -0.01 -0.09 0.15 -0.08 -0.04 -0.01 -0.13 0.05 -0.08 -0.01 0.09 0.02 -0.02 0.13 -0.00 0.00 0.02 -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 -0.06 0.02 0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.08 -0.06 0.01 -0.06 -0.01 -0.01 0.03 -0.06 0.03 0.01 -0.06 -0.04 0.01 0.06 0.05 0.00 0.05 0.02 -0.02 -0.02 -0.05 0.05 0.06 0.00 0.06 0.03 0.04 -0.02 -0.03 0.01 -0.01 -0.01 0.00 -0.00 -0.02 -0.01 -0.01 0.07 0.00 -0.00 0.02 0.03 0.01 -0.03 -0.03 0.00 -0.03 -0.03 0.00 -0.03 0.03 0.01 -0.03 -0.01 0.06 0.12 0.00 -0.02 0.06 -0.29 -0.20 -0.31 -0.04 0.00 -0.01 -0.10 0.02 -0.10 0.16 -0.22 -0.16 0.16 -0.30 -0.28 -0.07 0.10 0.03 -0.04 -0.25 0.02 -0.19 0.19 0.05 -0.18 0.06 -0.00 -0.02 -0.02 0.00 -0.03 0.06 -0.01 0.02 0.07 -0.01 0.07 0.00 0.02 -0.03 -0.02 0.01 0.06 -0.00 0.04 0.01 -0.00 0.03 0.00 -0.00 0.02 0.00 0.01 -0.01 0.01 0.02 0.00 0.02 0.01 -0.00 0.01 0.01 -0.01 -0.09 0.37 -0.13 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.02 -0.09 -0.01 0.03 -0.13 -0.04 -0.01 0.02 -0.14 0.02 0.00 0.05 0.03 -0.04 -0.04 -0.04 0.01 -0.04 -0.04 0.02 0.00 0.05 -0.04 -0.04 -0.02 0.03 0.01 -0.04 0.02 0.03 -0.01 0.02 0.01 -0.00 0.02 0.01 0.01 0.01 -0.07 -0.00 0.01 0.02 -0.04 -0.01 0.03 0.04 -0.00 0.04 0.04 -0.00 0.04 -0.04 -0.02 0.03 -0.01 0.11 0.20 -0.00 0.02 -0.08 0.16 0.15 0.20 0.16 -0.05 0.11 0.12 -0.04 0.10 -0.14 0.20 0.15 -0.11 0.21 0.21 0.08 0.24 -0.03 -0.02 -0.01 -0.00 0.15 -0.16 -0.05 0.20 -0.06 -0.00 0.03 0.03 -0.02 0.04 -0.06 -0.00 -0.01 -0.06 -0.00 -0.02 -0.03 -0.03 0.03 -0.03 0.00 -0.06 0.01 -0.00 -0.01 -0.00 0.00 -0.04 0.20 -0.00 0.03 -0.00 -0.01 -0.04 -0.02 -0.01 0.00 -0.01 0.02 -0.02 -0.01 0.02 -0.12 0.52 -0.13 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.01 0.01 0.03 0.01 -0.03 -0.01 0.00 -0.01 -0.04 -0.02 -0.01 0.05 -0.03 0.02 0.00 -0.02 -0.03 -0.02 0.06 -0.02 0.02 -0.01 0.04 -0.01 -0.01 -0.02 -0.01 -0.05 0.05 -0.01 0.01 0.00 0.00 0.01 -0.01 -0.01 0.02 -0.02 0.03 -0.00 0.01 0.01 0.06 0.02 -0.04 -0.05 0.01 -0.04 -0.03 0.00 -0.03 0.02 0.02 -0.04 -0.00 0.02 0.03 0.00 -0.04 0.12 0.45 0.04 0.31 -0.18 0.06 -0.11 -0.25 0.10 -0.17 0.08 -0.19 -0.20 0.01 -0.00 0.02 0.07 0.01 -0.03 0.02 0.19 -0.02 0.23 -0.11 -0.03 0.15 -0.14 0.03 -0.05 -0.01 0.00 -0.02 0.01 0.02 0.01 0.01 -0.03 -0.00 0.03 0.01 -0.02 0.03 -0.00 0.01 -0.01 -0.00 -0.02 0.02 -0.12 -0.03 0.12 -0.00 -0.23 -0.08 0.12 0.21 -0.01 0.10 -0.20 0.00 -0.12 0.16 0.06 -0.12 -0.01 0.04 0.02 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 0.01 0.01 0.01 -0.02 0.04 -0.03 -0.02 -0.01 0.03 -0.02 -0.06 0.03 -0.01 0.03 -0.06 -0.01 0.00 0.00 0.01 0.02 -0.02 0.01 -0.02 0.01 0.00 -0.01 0.01 0.01 0.00 0.00 0.02 0.00 -0.00 -0.00 0.06 0.02 -0.04 -0.06 0.00 -0.04 -0.02 0.01 -0.03 0.02 0.01 -0.03 0.00 -0.00 -0.00 0.00 -0.04 0.14 -0.24 0.03 -0.16 0.21 -0.07 0.13 0.25 -0.09 0.18 -0.16 0.30 0.28 -0.06 0.10 0.09 -0.01 -0.01 0.01 -0.00 -0.04 -0.00 0.07 -0.05 0.01 -0.20 0.14 -0.01 0.05 0.02 -0.01 0.04 -0.04 -0.01 -0.01 -0.04 0.03 -0.02 -0.03 -0.02 0.02 -0.03 -0.00 -0.04 0.01 -0.01 0.02 -0.01 0.07 0.01 -0.03 0.00 -0.28 -0.08 0.15 0.29 0.01 0.15 -0.25 0.01 -0.16 0.23 0.09 -0.16 -0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.03 -0.03 -0.00 0.02 0.02 -0.00 0.02 0.04 -0.04 -0.02 0.02 0.08 0.00 0.00 0.04 0.02 0.01 -0.08 0.02 -0.06 -0.04 0.04 0.06 0.01 0.02 0.00 -0.08 0.05 -0.01 -0.02 0.01 -0.01 -0.02 -0.00 -0.00 0.02 -0.01 -0.02 0.00 -0.02 -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 -0.00 -0.02 0.00 -0.00 0.00 0.17 -0.16 -0.06 0.20 -0.09 0.11 0.41 -0.16 0.24 0.15 -0.22 -0.15 0.13 -0.22 -0.22 -0.01 0.15 -0.02 -0.01 -0.13 -0.00 0.21 -0.13 -0.04 0.39 -0.27 0.02 0.03 -0.01 0.08 0.02 -0.05 -0.01 -0.00 -0.08 0.09 -0.01 0.02 0.01 -0.02 0.01 -0.00 0.00 0.00 0.02 -0.00 -0.01 0.03 0.02 -0.08 -0.02 -0.05 -0.03 0.02 0.01 -0.01 0.00 -0.05 -0.00 -0.02 0.02 0.01 -0.02 0.01 -0.04 0.01 0.00 -0.00 0.00 0.01 -0.00 0.01 0.00 0.07 0.05 0.00 -0.02 -0.03 0.01 -0.06 -0.08 -0.04 0.01 -0.01 0.04 -0.01 -0.00 -0.00 0.03 -0.00 -0.04 0.02 -0.02 0.00 -0.01 0.02 0.00 -0.04 -0.02 -0.00 0.01 -0.03 -0.01 0.01 -0.01 -0.00 -0.00 0.00 0.01 -0.03 0.11 -0.01 0.04 0.06 0.04 0.01 -0.01 -0.03 -0.00 -0.01 -0.09 -0.00 -0.04 0.08 0.03 -0.04 0.00 -0.01 0.03 0.00 -0.00 0.00 0.12 -0.18 -0.11 0.13 -0.05 0.06 0.18 -0.08 0.11 -0.02 0.05 0.07 0.01 -0.02 -0.04 -0.02 -0.30 0.02 0.06 0.35 -0.02 0.26 -0.06 0.01 -0.18 0.01 0.03 0.00 -0.01 0.05 0.01 -0.04 -0.00 -0.00 -0.06 0.05 -0.02 0.02 0.01 -0.02 0.02 0.00 -0.05 -0.01 0.00 -0.02 0.02 -0.11 -0.03 0.15 0.05 0.20 0.07 -0.10 -0.24 -0.00 -0.12 0.32 -0.00 0.19 -0.31 -0.11 0.18 -0.01 0.03 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 0.01 -0.10 -0.05 0.00 0.00 0.05 -0.02 0.09 0.10 0.04 -0.01 0.04 -0.03 0.00 -0.01 -0.02 0.03 -0.02 0.03 -0.01 0.03 0.02 -0.04 -0.03 -0.02 0.03 0.03 -0.03 0.02 -0.01 0.00 -0.00 0.01 0.01 0.00 0.00 0.02 -0.03 0.09 0.01 -0.08 -0.10 0.04 0.01 -0.01 -0.04 -0.00 -0.01 -0.08 -0.00 -0.04 0.07 0.02 -0.04 -0.01 0.04 -0.04 0.00 -0.00 0.01 0.09 -0.01 0.01 -0.09 0.03 -0.04 -0.14 0.07 -0.07 -0.12 0.19 0.15 -0.07 0.11 0.08 0.10 0.45 -0.06 -0.04 -0.22 -0.04 0.40 -0.18 -0.01 -0.10 -0.02 0.03 -0.01 0.01 -0.03 -0.00 0.01 0.01 -0.00 0.02 -0.03 -0.01 -0.01 -0.02 0.01 -0.02 0.01 0.01 0.01 -0.01 0.01 -0.01 0.04 0.02 -0.11 -0.11 0.13 0.04 -0.06 -0.17 -0.01 -0.08 0.26 -0.00 0.16 -0.26 -0.09 0.15 0.02 -0.06 0.05 -0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.02 0.00 -0.00 0.01 -0.01 0.01 -0.03 -0.02 0.02 -0.00 -0.03 -0.02 0.01 0.01 0.06 0.07 0.08 0.04 -0.01 0.04 -0.01 -0.06 -0.04 0.01 0.01 -0.01 -0.09 0.03 -0.01 0.00 -0.01 0.00 0.01 -0.00 -0.00 0.02 -0.01 -0.02 -0.01 0.03 0.03 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 0.01 -0.01 -0.00 0.00 0.01 -0.02 0.01 0.00 0.00 -0.00 -0.26 -0.24 -0.36 -0.15 0.06 -0.11 -0.21 0.07 -0.12 -0.14 0.26 0.22 -0.05 0.02 -0.05 -0.08 -0.14 0.03 -0.03 -0.11 0.06 0.22 -0.13 -0.03 0.46 -0.30 0.00 -0.00 0.01 -0.04 -0.02 0.05 -0.00 0.00 0.05 -0.02 -0.01 0.00 -0.00 -0.02 0.01 0.01 0.01 0.00 -0.01 -0.03 0.03 -0.13 0.01 -0.03 0.05 -0.03 -0.02 0.01 0.00 -0.01 -0.00 -0.05 -0.00 -0.02 0.01 0.01 -0.02 -0.00 0.02 -0.03 -0.00 0.00 -0.00 0.00 0.01 0.01 0.03 -0.01 0.05 0.02 -0.10 0.02 -0.01 0.07 0.04 -0.04 0.01 -0.04 0.00 0.00 0.01 0.02 0.03 0.05 0.00 0.00 0.00 -0.01 -0.02 -0.00 -0.03 -0.06 0.02 0.01 -0.01 -0.01 0.00 0.00 -0.01 0.02 -0.01 -0.01 -0.00 0.00 -0.01 0.02 -0.11 -0.09 -0.02 -0.00 0.00 0.01 0.00 -0.00 0.03 0.00 0.01 -0.02 -0.01 0.01 -0.03 0.12 -0.03 0.00 0.00 -0.00 -0.07 -0.25 -0.22 -0.02 0.01 -0.01 -0.01 -0.01 -0.01 -0.01 0.05 0.06 0.00 -0.04 -0.04 0.08 -0.00 -0.01 0.13 0.69 -0.15 -0.14 0.13 0.03 0.11 -0.04 -0.03 -0.04 -0.02 0.03 -0.03 -0.01 0.01 0.01 -0.03 0.03 -0.05 0.05 0.01 -0.07 0.06 0.03 -0.12 -0.03 0.01 0.00 -0.01 0.06 -0.07 0.30 -0.16 -0.02 -0.00 0.00 0.03 0.01 0.01 -0.07 0.00 -0.05 0.07 0.03 -0.05 0.03 -0.11 0.19 0.00 0.00 -0.00 -0.00 0.03 -0.02 0.02 -0.02 -0.07 -0.02 0.08 -0.00 0.00 -0.02 -0.02 -0.01 -0.04 -0.01 -0.01 0.02 -0.01 0.01 0.01 0.02 0.01 -0.01 0.00 -0.01 -0.01 -0.01 -0.04 -0.07 0.06 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.03 -0.02 -0.00 0.00 0.00 -0.00 -0.01 0.05 0.05 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.09 0.04 -0.00 0.00 -0.00 -0.02 -0.05 -0.05 -0.07 0.02 -0.01 -0.01 0.04 0.00 0.01 0.02 0.02 0.00 -0.02 0.01 0.24 0.40 -0.06 0.13 0.41 -0.30 -0.00 0.02 0.01 0.02 -0.01 -0.01 -0.03 -0.01 0.00 -0.03 0.01 0.02 0.00 -0.01 0.02 -0.10 0.07 -0.01 -0.11 0.10 0.05 -0.15 -0.03 -0.03 0.08 -0.10 0.52 0.05 -0.20 0.09 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.03 0.12 -0.16 -0.00 0.00 -0.00 -0.00 -0.02 0.01 -0.01 -0.01 -0.01 -0.00 0.02 0.00 0.00 -0.00 0.00 0.03 0.03 0.02 -0.01 -0.02 0.01 -0.05 0.03 0.01 0.01 0.00 -0.00 0.01 -0.02 -0.01 -0.00 0.00 -0.00 0.04 -0.01 -0.02 0.03 0.06 -0.06 0.06 -0.00 -0.01 -0.01 -0.00 0.01 -0.00 0.01 0.01 -0.01 -0.00 -0.00 0.01 0.00 -0.00 0.02 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.02 -0.00 0.00 -0.00 0.01 0.25 -0.28 -0.06 -0.01 0.01 0.02 -0.03 0.00 -0.03 -0.04 0.04 0.05 -0.03 0.05 0.01 0.00 0.11 -0.02 -0.04 -0.16 0.05 -0.12 0.13 0.03 -0.02 0.03 -0.02 -0.15 -0.12 0.34 -0.17 -0.32 0.14 0.05 -0.27 0.22 -0.22 0.08 -0.07 -0.23 0.07 0.15 -0.26 -0.05 -0.01 -0.04 0.05 -0.30 0.01 -0.05 0.02 0.01 0.01 -0.01 0.00 0.01 -0.01 -0.03 0.00 -0.03 0.05 0.02 -0.03 -0.00 0.01 -0.03 -0.00 0.00 -0.00 0.00 -0.02 0.01 0.00 0.00 -0.02 -0.00 0.02 0.01 -0.00 -0.00 -0.01 0.00 0.04 0.02 0.02 -0.01 -0.00 -0.04 0.04 0.02 -0.00 -0.00 -0.00 0.00 -0.02 -0.01 -0.02 -0.04 0.02 0.03 -0.01 -0.02 -0.01 -0.00 0.01 -0.10 0.02 0.01 -0.01 -0.00 0.01 -0.00 0.01 0.01 -0.02 -0.00 -0.00 0.02 0.00 -0.01 0.02 0.00 -0.00 -0.02 -0.00 0.00 0.01 -0.03 0.00 0.00 -0.00 0.01 0.27 -0.33 -0.10 -0.02 0.00 0.01 -0.00 0.01 0.01 -0.03 0.05 0.05 -0.02 0.02 0.00 0.15 0.26 -0.05 0.04 0.10 -0.13 -0.11 0.15 0.04 0.00 0.01 -0.02 -0.01 0.01 -0.03 0.04 0.04 -0.03 -0.01 0.00 -0.04 0.34 -0.12 0.10 0.35 -0.18 -0.20 0.39 0.08 0.07 -0.05 0.05 -0.31 0.01 -0.04 0.02 0.02 0.02 -0.03 -0.02 0.01 -0.02 -0.04 0.00 -0.04 0.05 0.02 -0.04 -0.00 0.01 -0.03 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.03 0.01 -0.00 0.00 -0.04 0.03 0.01 -0.02 0.01 -0.00 0.01 -0.01 0.01 0.01 0.01 -0.01 0.02 0.00 -0.03 -0.02 -0.06 0.07 0.05 -0.01 -0.00 -0.00 -0.01 0.03 -0.00 0.01 -0.00 -0.04 -0.00 -0.01 0.03 0.01 -0.01 0.03 0.01 -0.01 -0.03 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.01 0.03 0.32 -0.29 -0.04 0.06 -0.02 -0.04 0.05 -0.08 0.02 -0.04 0.01 0.02 -0.01 0.03 -0.02 -0.04 -0.00 -0.00 -0.03 -0.11 0.08 -0.03 0.10 0.03 -0.05 0.02 -0.01 0.03 0.11 -0.40 0.19 0.41 -0.15 -0.05 0.20 -0.27 -0.20 0.07 -0.06 -0.21 0.10 0.12 -0.24 -0.05 -0.03 0.00 0.00 -0.02 0.00 -0.01 0.00 0.07 0.04 -0.07 -0.07 0.01 -0.07 -0.06 0.01 -0.06 0.07 0.03 -0.07 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.05 -0.03 0.01 -0.02 0.03 -0.00 -0.01 -0.01 0.00 0.01 0.01 -0.01 -0.12 -0.01 -0.00 0.03 -0.02 -0.03 0.04 0.01 0.01 -0.01 0.01 0.01 -0.02 -0.01 0.02 0.07 -0.03 0.01 -0.00 -0.02 0.02 0.03 -0.02 -0.04 -0.00 0.00 0.00 -0.01 0.03 -0.00 0.01 -0.02 -0.03 -0.00 -0.01 0.03 0.01 -0.01 0.03 0.01 -0.01 -0.03 -0.00 -0.01 -0.00 0.01 0.00 0.00 -0.01 0.03 0.29 -0.20 -0.01 -0.07 0.03 -0.03 -0.02 0.03 -0.00 -0.05 0.04 0.04 -0.03 0.06 0.01 -0.16 -0.33 0.06 -0.05 -0.10 0.14 0.03 0.05 0.03 -0.05 0.01 -0.01 -0.13 -0.05 0.10 -0.11 -0.09 0.07 0.02 -0.15 0.11 0.13 -0.02 0.07 0.16 -0.03 -0.11 0.16 0.03 0.02 0.10 -0.11 0.64 -0.01 -0.00 -0.02 0.06 0.03 -0.06 -0.08 0.01 -0.07 -0.05 0.01 -0.06 0.05 0.03 -0.06 -0.01 0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.04 -0.01 -0.01 -0.01 0.00 0.04 -0.04 -0.02 0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.01 -0.02 0.01 -0.03 0.03 -0.01 -0.00 0.01 -0.02 0.00 0.00 0.00 0.00 -0.04 0.12 0.00 -0.00 0.00 -0.12 -0.01 -0.02 0.12 0.02 -0.01 0.10 0.03 -0.03 -0.11 -0.01 -0.04 0.00 -0.00 -0.00 0.00 -0.03 0.10 -0.29 0.29 0.05 0.00 -0.00 0.03 -0.01 0.03 -0.00 0.02 -0.02 -0.03 0.02 -0.03 -0.01 0.07 0.06 -0.01 0.03 0.07 -0.08 0.32 -0.21 -0.06 -0.20 -0.04 0.07 0.07 -0.02 0.11 -0.03 -0.13 0.03 0.01 0.01 0.06 0.01 -0.02 -0.01 -0.00 -0.01 0.01 0.00 0.00 -0.01 -0.02 0.03 -0.15 0.00 -0.00 0.00 0.27 0.11 -0.25 -0.30 0.03 -0.26 -0.17 0.03 -0.20 0.15 0.08 -0.20 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.06 0.20 -0.13 0.02 -0.08 0.04 0.00 -0.03 -0.04 0.02 -0.03 -0.00 -0.00 0.01 -0.01 -0.01 0.01 0.00 0.01 -0.01 -0.01 0.01 -0.01 0.00 0.05 -0.10 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 0.03 -0.11 0.11 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.06 -0.03 -0.00 -0.00 0.01 0.02 -0.01 0.00 -0.08 0.01 0.09 0.01 0.12 0.04 -0.09 -0.02 -0.02 -0.02 0.06 -0.07 -0.43 0.55 -0.03 -0.06 -0.16 0.38 0.02 -0.01 -0.01 -0.02 -0.01 0.01 -0.03 -0.00 -0.02 -0.06 0.02 0.02 0.01 -0.01 0.05 -0.04 0.03 0.00 0.02 -0.08 0.01 0.04 -0.01 0.08 0.04 -0.04 0.24 -0.04 0.20 0.09 0.01 0.00 -0.01 -0.01 -0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.03 -0.13 0.15 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.03 -0.06 0.02 -0.01 0.05 -0.01 -0.01 0.03 0.01 0.00 0.02 -0.00 -0.00 -0.01 -0.01 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.01 0.03 -0.02 -0.04 -0.00 -0.00 0.00 0.00 0.01 0.01 -0.00 -0.01 -0.02 0.00 -0.00 0.00 -0.00 0.01 -0.04 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.06 0.03 0.00 -0.00 0.00 -0.08 0.06 0.01 0.00 -0.00 0.01 -0.00 0.01 0.00 -0.12 -0.04 -0.04 -0.02 0.07 -0.11 -0.47 0.17 -0.00 -0.05 0.36 0.49 0.02 -0.01 0.01 0.01 0.02 -0.01 -0.12 -0.03 0.03 0.11 0.01 -0.05 -0.03 -0.13 -0.13 0.02 0.26 0.18 0.15 0.02 -0.11 -0.11 -0.08 0.24 -0.00 0.02 -0.10 0.00 -0.04 -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 -0.02 0.09 -0.11 -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 -0.01 -0.01 0.00 -0.00 0.00 0.01 0.01 -0.03 -0.03 0.02 -0.01 0.02 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.03 0.00 0.00 -0.00 -0.02 0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.05 -0.06 -0.01 -0.18 0.02 0.32 0.04 0.35 0.10 -0.26 -0.08 -0.08 -0.05 0.16 -0.23 -0.02 -0.03 0.01 -0.01 0.01 0.02 -0.03 0.02 0.00 0.00 -0.01 0.00 0.33 0.03 0.19 0.20 -0.27 -0.06 -0.03 0.24 -0.14 0.16 -0.10 0.02 -0.03 0.29 -0.06 -0.10 0.03 -0.29 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -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 -0.03 0.02 -0.01 0.02 -0.01 -0.00 0.01 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.01 -0.00 0.01 0.01 -0.00 -0.02 -0.00 -0.00 -0.00 0.00 -0.03 -0.02 0.01 0.03 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 0.01 -0.03 0.01 0.00 0.00 -0.00 0.04 -0.02 0.01 -0.04 0.00 0.08 0.03 0.08 0.03 -0.12 -0.05 -0.05 -0.02 0.08 -0.11 -0.14 0.02 -0.00 -0.01 0.18 0.15 0.01 0.04 0.04 0.02 0.04 -0.03 0.25 0.09 -0.16 -0.34 0.04 0.16 0.07 0.30 0.36 -0.20 -0.22 -0.26 -0.13 -0.35 0.19 0.22 0.05 0.02 -0.00 0.00 -0.02 -0.00 -0.01 -0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.04 -0.05 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.01 -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 -0.00 0.02 0.02 -0.03 0.01 -0.03 0.01 -0.01 -0.01 -0.03 -0.03 -0.00 -0.03 -0.00 -0.01 -0.00 -0.01 0.01 0.01 -0.00 0.00 0.00 -0.01 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.01 0.01 0.01 -0.00 0.00 0.05 -0.03 0.00 0.10 -0.01 -0.20 -0.05 -0.21 -0.08 0.35 0.10 0.10 0.06 -0.20 0.31 -0.16 0.08 -0.00 -0.02 0.05 0.16 0.16 0.20 0.22 0.14 0.23 -0.19 0.33 0.03 0.16 0.08 -0.24 -0.00 -0.00 0.27 -0.03 0.07 -0.06 0.01 -0.00 0.11 -0.02 -0.02 0.02 -0.13 0.01 -0.00 0.02 -0.00 0.01 -0.00 0.02 0.01 -0.01 -0.00 0.00 -0.00 0.02 0.00 0.01 0.02 0.01 -0.01 -0.00 0.02 -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.01 -0.00 0.00 0.01 -0.00 0.01 -0.00 0.00 0.01 -0.01 -0.01 0.00 -0.01 -0.02 0.01 0.00 0.01 -0.01 0.01 0.01 -0.06 -0.06 -0.00 0.02 0.00 0.01 0.00 0.00 -0.01 0.03 -0.00 0.00 -0.00 0.01 0.01 -0.01 -0.00 0.01 -0.00 0.00 -0.01 -0.02 0.00 -0.02 -0.02 -0.01 0.01 -0.00 0.02 -0.01 0.02 0.00 0.01 -0.07 0.09 0.03 -0.10 0.01 0.18 0.04 0.19 0.07 -0.11 -0.06 -0.06 -0.02 0.07 -0.10 0.10 -0.05 0.00 0.01 -0.06 -0.10 0.30 0.32 0.40 0.26 0.41 -0.34 -0.20 -0.02 -0.08 -0.03 0.14 -0.01 -0.00 -0.17 -0.00 -0.03 0.05 0.01 0.01 -0.03 0.00 -0.01 -0.01 0.06 -0.00 0.01 -0.03 0.01 -0.02 0.01 0.05 0.01 -0.02 0.02 0.00 0.00 0.06 0.00 0.03 0.06 0.02 -0.03 0.01 -0.03 0.03 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.01 0.00 0.00 0.01 0.01 0.02 -0.03 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.01 0.01 -0.00 -0.01 0.00 0.00 0.00 0.03 -0.01 -0.02 -0.02 -0.02 0.03 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.02 0.03 0.01 0.01 -0.01 0.06 -0.00 0.04 0.00 0.08 0.03 0.03 0.02 -0.05 0.07 -0.09 0.05 -0.00 -0.02 0.03 0.10 0.00 -0.02 -0.01 -0.01 -0.01 0.01 -0.15 0.04 -0.28 -0.35 0.26 0.13 0.06 -0.07 0.32 0.31 -0.11 0.10 0.01 0.46 -0.14 -0.17 0.04 -0.39 -0.01 0.01 -0.06 -0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 -0.01 0.02 -0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.01 0.00 0.01 -0.03 -0.04 -0.03 0.00 -0.04 0.00 0.01 -0.01 0.01 0.01 -0.00 -0.00 -0.01 0.00 0.01 0.00 -0.02 -0.02 -0.00 0.00 -0.00 0.02 -0.00 0.01 0.01 -0.02 0.01 -0.00 0.01 0.02 -0.00 0.02 0.02 0.01 -0.02 -0.00 0.01 -0.00 -0.02 -0.00 -0.00 0.02 -0.03 -0.01 -0.23 0.02 0.42 0.08 0.46 0.15 0.38 0.14 0.13 0.07 -0.24 0.35 -0.02 -0.05 0.01 -0.01 -0.00 0.02 -0.02 -0.02 -0.04 -0.01 -0.04 0.03 0.03 0.02 -0.06 -0.03 0.03 0.01 0.00 0.05 0.02 -0.09 0.17 0.06 0.05 -0.10 -0.01 -0.05 -0.05 0.23 -0.00 0.00 -0.03 0.01 -0.03 0.00 -0.07 -0.02 0.02 -0.07 -0.00 -0.02 -0.08 -0.00 -0.03 -0.07 -0.02 0.03 0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 0.00 0.00 -0.01 -0.01 -0.01 0.00 -0.01 0.00 0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.12 0.02 -0.00 -0.00 0.01 -0.00 -0.04 -0.03 0.08 -0.05 0.02 -0.08 -0.12 0.01 -0.10 -0.11 -0.05 0.09 -0.00 0.00 -0.00 0.12 0.02 0.00 0.02 -0.02 -0.00 -0.05 0.00 0.10 0.02 0.11 0.04 0.12 0.05 0.04 0.02 -0.07 0.11 -0.01 -0.01 0.00 -0.00 -0.00 0.01 -0.14 -0.12 -0.14 -0.11 -0.15 0.12 0.05 0.02 -0.03 -0.04 0.00 0.02 0.01 0.06 0.04 -0.02 0.09 0.05 0.04 -0.01 -0.02 -0.04 -0.03 0.09 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.37 0.10 -0.13 0.37 0.02 0.14 0.41 0.01 0.19 0.38 0.12 -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 0.01 -0.02 0.01 0.01 -0.03 -0.00 -0.00 0.00 0.00 -0.01 -0.02 -0.03 -0.00 -0.00 0.00 -0.00 0.01 0.02 0.01 -0.00 0.01 -0.01 0.01 0.01 0.00 -0.00 -0.00 -0.01 -0.02 -0.02 0.00 -0.02 -0.03 -0.01 -0.00 -0.00 -0.01 0.04 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.01 0.00 -0.00 -0.01 0.04 -0.02 -0.01 -0.00 -0.00 0.03 -0.02 0.00 0.08 -0.01 -0.09 -0.03 -0.11 -0.04 -0.15 -0.04 -0.04 -0.03 0.09 -0.12 0.11 -0.02 -0.00 0.01 -0.10 -0.12 0.00 0.03 0.02 0.01 0.02 -0.01 0.30 0.08 -0.08 -0.23 -0.06 0.12 0.05 0.30 0.25 0.03 0.42 0.29 0.22 0.08 -0.18 -0.22 -0.12 0.34 0.00 0.00 0.01 0.02 -0.06 0.03 -0.02 -0.00 0.01 -0.02 -0.00 -0.01 -0.02 -0.00 -0.01 -0.02 -0.01 0.01 0.02 -0.06 0.07 0.00 0.00 0.00 -0.00 -0.00 0.00 0.03 -0.12 -0.04 0.02 -0.08 0.06 0.03 -0.15 -0.00 0.00 0.01 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.02 -0.00 0.00 -0.00 -0.05 0.25 0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.19 -0.10 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.02 -0.00 -0.04 -0.01 -0.04 -0.02 0.03 0.01 0.01 0.01 -0.02 0.03 -0.23 0.24 -0.00 -0.01 0.26 0.23 -0.03 -0.02 -0.03 -0.03 -0.03 0.03 -0.07 -0.02 0.02 0.05 0.01 -0.02 -0.01 -0.07 -0.05 0.04 -0.21 -0.12 -0.08 0.00 0.06 0.09 0.06 -0.19 0.00 0.00 0.01 0.10 -0.47 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 0.08 -0.30 0.34 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 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 -0.01 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.10 0.35 0.00 -0.00 0.00 0.11 0.08 -0.21 -0.11 0.05 -0.21 0.09 -0.05 0.21 -0.10 -0.08 0.22 -0.00 0.00 -0.00 -0.00 0.10 -0.34 -0.01 0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.27 -0.02 0.04 -0.18 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 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.32 -0.05 0.02 0.31 0.05 0.01 -0.28 -0.05 0.02 0.32 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 0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.03 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.24 -0.03 -0.02 -0.00 0.00 -0.00 0.30 0.07 -0.08 0.31 0.02 0.10 -0.26 -0.02 -0.06 -0.24 -0.05 0.05 -0.00 0.00 -0.00 0.12 0.02 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 -0.01 0.04 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.34 -0.13 0.28 -0.36 0.02 -0.26 0.21 -0.03 0.21 0.17 0.09 -0.20 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.01 0.00 0.02 -0.01 0.04 -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 0.05 0.08 -0.09 -0.03 -0.08 0.00 0.20 0.07 -0.29 -0.06 -0.59 0.67 0.17 0.10 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.01 0.01 -0.02 0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 -0.02 0.03 -0.01 -0.01 -0.02 -0.00 0.03 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -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 0.01 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.05 -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 0.01 -0.02 -0.05 -0.00 0.06 0.02 -0.09 0.01 0.07 -0.08 -0.02 -0.01 0.00 -0.00 -0.00 -0.01 0.03 -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.03 -0.12 -0.04 0.04 0.02 0.07 -0.08 0.01 0.01 -0.19 -0.30 0.43 -0.29 -0.14 -0.48 -0.08 0.53 0.10 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.01 -0.02 0.02 0.04 0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.03 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.07 -0.09 0.11 -0.11 -0.31 -0.01 0.32 0.12 -0.45 0.01 0.14 -0.16 -0.03 -0.02 0.00 0.00 0.00 0.02 -0.00 0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.01 -0.12 0.49 0.16 -0.14 -0.07 -0.26 0.34 -0.03 -0.05 -0.01 -0.02 0.03 -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 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -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 -0.04 -0.01 0.01 -0.02 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.03 0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.03 -0.04 0.05 0.09 0.25 0.01 -0.33 -0.12 0.47 -0.02 -0.16 0.18 0.07 0.04 0.00 -0.01 -0.01 -0.04 0.03 -0.00 0.01 0.02 0.04 -0.05 0.02 0.03 0.05 -0.12 0.47 0.15 -0.14 -0.06 -0.25 0.32 -0.03 -0.05 -0.04 -0.07 0.10 -0.08 -0.04 -0.13 -0.02 0.11 0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.01 -0.02 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.03 -0.06 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.11 -0.16 0.19 -0.01 -0.02 -0.00 0.02 0.01 -0.03 -0.00 0.00 -0.01 0.03 0.02 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.16 0.36 -0.48 0.19 0.33 0.61 0.02 -0.09 -0.03 0.02 0.01 0.04 -0.03 0.00 0.00 0.01 0.01 -0.02 0.01 0.00 0.02 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.03 0.04 -0.05 0.00 0.00 -0.00 -0.02 -0.00 -0.01 0.00 -0.00 0.00 0.01 0.01 0.02 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.35 -0.51 0.61 -0.00 -0.00 -0.00 -0.02 -0.01 0.02 -0.01 -0.07 0.08 0.19 0.10 0.01 0.00 0.00 0.01 -0.02 0.00 -0.01 0.00 -0.00 0.01 -0.10 -0.17 -0.31 0.04 -0.17 -0.06 0.03 0.02 0.07 0.05 0.00 -0.01 0.01 0.02 -0.02 0.01 0.00 0.01 -0.00 0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 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 -0.04 -0.07 0.02 0.03 0.02 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 0.01 -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 -0.05 -0.06 0.08 0.25 0.76 0.06 0.20 0.06 -0.28 0.00 -0.02 0.03 -0.40 -0.21 -0.04 0.00 0.00 0.01 0.01 -0.00 0.00 0.01 0.02 -0.03 -0.01 -0.02 -0.04 -0.00 0.00 -0.00 -0.02 -0.01 -0.04 0.04 -0.00 -0.01 -0.03 -0.04 0.06 0.02 0.01 0.02 0.01 -0.05 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.05 0.02 0.04 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.02 0.02 -0.01 -0.03 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 0.01 0.01 0.00 -0.08 -0.10 -0.62 0.64 -0.10 0.17 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.01 0.01 0.02 -0.04 0.00 0.01 -0.09 -0.13 0.20 0.04 0.03 0.07 0.04 -0.24 -0.05 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.01 -0.00 -0.01 0.01 0.02 0.00 0.00 -0.00 -0.01 0.01 0.01 -0.02 -0.08 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 -0.01 -0.02 -0.00 0.01 0.00 -0.01 0.00 -0.02 0.02 -0.14 -0.07 -0.01 -0.04 -0.04 -0.26 0.19 -0.03 0.05 -0.00 -0.01 0.01 0.00 0.01 0.01 0.02 -0.07 -0.03 -0.04 -0.02 -0.07 0.13 -0.00 -0.02 0.16 0.23 -0.36 0.14 0.05 0.23 -0.12 0.71 0.14 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.03 0.01 -0.05 -0.03 0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.05 -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 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.10 0.31 0.02 0.09 0.02 -0.12 -0.00 0.10 -0.12 0.57 0.30 0.05 0.00 0.00 0.03 -0.00 0.00 -0.00 -0.12 -0.27 0.35 0.10 0.17 0.29 0.01 -0.04 -0.01 -0.03 -0.01 -0.06 0.05 -0.00 -0.01 -0.04 -0.07 0.09 0.12 0.06 0.19 -0.02 0.11 0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.01 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.01 0.04 0.00 0.00 0.00 -0.01 -0.01 -0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.04 0.06 -0.07 -0.01 -0.04 -0.00 -0.03 -0.01 0.05 0.00 0.01 -0.01 0.03 0.01 0.00 0.02 0.02 0.14 -0.09 0.02 -0.02 0.09 0.20 -0.26 -0.07 -0.12 -0.21 0.00 -0.00 -0.00 -0.03 -0.01 -0.05 -0.02 0.00 0.01 -0.19 -0.29 0.40 0.35 0.17 0.55 -0.03 0.18 0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 0.01 -0.01 -0.02 0.01 -0.04 -0.03 0.01 -0.01 0.00 0.00 -0.00 -0.01 0.05 0.02 -0.02 -0.01 0.00 -0.01 0.03 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.08 0.11 -0.14 0.08 0.24 0.02 0.08 0.02 -0.12 0.00 0.10 -0.13 0.43 0.23 0.04 -0.01 -0.01 -0.06 0.08 -0.01 0.02 0.13 0.29 -0.37 -0.09 -0.17 -0.29 -0.05 0.21 0.07 0.04 0.01 0.05 -0.26 0.01 0.04 0.10 0.14 -0.20 -0.10 -0.05 -0.15 -0.01 0.07 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.01 -0.01 -0.01 0.02 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 0.01 -0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.02 -0.05 0.05 0.04 0.00 0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.09 0.12 -0.15 0.01 0.03 0.00 0.02 0.00 -0.02 0.00 0.04 -0.05 0.13 0.07 0.01 -0.00 0.00 -0.00 0.03 -0.01 0.01 0.06 0.13 -0.16 -0.04 -0.07 -0.12 0.12 -0.51 -0.16 -0.16 -0.05 -0.27 0.63 -0.03 -0.09 0.01 0.01 -0.01 -0.07 -0.03 -0.12 0.02 -0.14 -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.01 -0.01 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.07 -0.02 -0.06 -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 0.03 0.05 -0.06 0.01 0.04 0.00 0.01 0.00 -0.01 0.00 0.01 -0.01 0.02 0.01 0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.01 0.01 -0.02 -0.00 -0.00 -0.01 -0.05 0.15 0.04 0.38 0.16 0.72 0.51 -0.04 -0.09 -0.01 -0.01 0.01 0.03 0.01 0.04 -0.00 0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.06 -0.00 -0.07 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.00 -0.01 -0.00 -0.01 -0.00 0.01 -0.00 -0.01 0.01 -0.02 -0.01 -0.00 0.08 0.11 0.69 0.68 -0.10 0.16 -0.00 -0.01 0.01 0.00 0.00 0.01 -0.00 0.01 0.00 0.01 0.00 0.02 0.01 -0.00 -0.00 0.02 0.03 -0.04 -0.00 -0.00 -0.00 -0.00 0.03 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.04 0.01 -0.07 0.00 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 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.01 0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.50 -0.16 0.82 -0.03 -0.02 0.05 0.10 0.07 -0.18 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 0.04 0.03 -0.07 0.00 0.00 -0.00 0.01 -0.00 0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.02 0.02 0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 0.01 -0.04 -0.44 -0.31 0.80 -0.01 -0.01 0.03 -0.12 0.04 -0.20 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.01 0.01 0.00 -0.01 0.03 0.02 -0.05 -0.03 0.01 -0.05 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.08 -0.02 0.12 -0.07 -0.05 0.12 -0.34 -0.23 0.60 0.34 -0.11 0.54 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 0.01 0.01 0.01 -0.01 -0.03 -0.02 0.05 -0.03 0.01 -0.05 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.08 0.02 -0.13 -0.09 -0.06 0.15 0.30 0.20 -0.53 0.38 -0.12 0.60 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -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 -0.02 -0.02 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.02 -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 0.02 0.13 0.94 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.03 0.19 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 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 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 0.01 -0.06 -0.07 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.04 -0.28 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.10 0.61 0.72 0.00 0.00 -0.00 -0.00 -0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.04 0.97 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 -0.00 0.00 0.00 17 8 7 7 7 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 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 17 8 7 7 7 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 34.96885 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 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 319.14514 0.99975 -0.02229 -0.00236 0.02229 0.99975 0.00171 0.00232 -0.00176 1.0 asymmetric 1 0.01872 0.00695 0.00571 0.38997 0.14473 0.11899 971375.3 39.09 47.02 58.11 81.05 105.56 124.17 129.72 180.23 206.50 230.35 295.40 309.18 352.41 377.85 394.87 435.08 445.49 482.25 490.25 514.60 553.50 581.06 583.75 602.83 607.53 639.86 714.97 758.89 800.27 832.16 857.34 883.63 932.14 948.31 960.97 994.99 1038.38 1070.35 1104.22 1161.45 1181.50 1203.97 1223.66 1233.77 1243.79 1270.31 1297.72 1299.91 1345.35 1375.85 1383.66 1403.48 1408.67 1409.15 1426.11 1451.67 1468.99 1485.34 1491.95 1523.52 1574.67 1584.09 1599.94 1629.82 1649.39 1653.08 1679.42 1734.36 1744.16 1754.55 1761.99 1766.75 1782.12 1802.43 1814.97 1847.54 1882.39 1887.21 1899.26 1902.49 1920.59 1933.97 1945.12 1955.07 1974.59 1995.76 2015.17 2031.50 2059.73 2064.93 2074.10 2117.21 2135.72 2147.00 2155.31 2161.32 2169.37 2181.02 2189.11 2191.01 2194.97 2212.32 2320.08 2353.49 4333.72 4347.14 4362.65 4369.61 4380.46 4394.90 4414.36 4422.22 4436.27 4444.36 4448.51 4451.02 4458.83 4493.60 4499.94 4545.21 4549.21 4598.40 4599.94 4667.83 4678.08 5259.70 0.369977 0.390130 0.391074 0.319970 -1360.675586 -1360.655434 -1360.654490 -1360.725593 244.810 79.413 149.651 0.000 0.000 0.000 0.889 2.981 43.177 0.889 2.981 35.125 243.033 73.452 71.349 1 0.593 1.984 6.026 2 0.594 1.983 5.660 3 0.594 1.981 5.240 4 0.596 1.975 4.582 5 0.599 1.967 4.061 6 0.601 1.959 3.742 7 0.602 1.956 3.657 8 0.610 1.928 3.017 9 0.616 1.910 2.756 10 0.622 1.891 2.549 11 0.640 1.832 2.085 12 0.645 1.818 2.002 13 0.660 1.771 1.767 14 0.670 1.741 1.644 15 0.677 1.721 1.568 16 0.694 1.669 1.404 17 0.699 1.655 1.364 18 0.716 1.605 1.235 19 0.720 1.594 1.209 20 0.733 1.560 1.132 21 0.754 1.503 1.021 22 0.769 1.462 0.949 23 0.771 1.458 0.942 24 0.782 1.429 0.895 25 0.785 1.422 0.884 26 0.804 1.373 0.812 27 0.852 1.257 0.666 28 0.882 1.189 0.593 29 0.912 1.126 0.531 30 0.935 1.078 0.488 31 0.954 1.041 0.457 32 0.974 1.002 0.426 0.100406e+24 23.001759 52.963508 0.423063e+08 7.626405 17.560446 0.100000e+01 0.000000 0.000000 0.224097e+09 8.350436 19.227590 0.105905e+08 7.024918 16.175473 14 gas ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1361.0455634 5.213E-9 7.028E-6 0.3699773 0.3901296 -1360.6554338 -1360.6544896 -1360.7255935 -3.0800742,-5.7873811,8.8674553,-2.5886852,4.391266,-2.0896419 C01 [X(C17H22Cl1N3O1)] -1.081331 0.0239801 -0.921148 -0.5039968 -0.40896 -0.1072406 -0.4510112 -0.4972866 -0.1162297 -0.108794 -0.1064893 -0.1183359 -0.5338974 -0.0251658 0.0082963 0.0057357 -0.8178613 0.1533549 0.0622969 0.2118941 -0.7211679 -0.3764032 0.279933 0.0074846 0.2912422 -0.4837703 -0.092455 -0.0662743 0.0354443 -0.0468266 -0.2915094 0.0752239 0.1524694 0.0327987 -0.2859781 -0.0222275 0.2839337 -0.3191461 -0.4300797 -0.4750967 0.2592664 0.0387274 0.1818896 -0.5541109 -0.0006597 -0.0482755 0.0797596 -0.4356003 0.2193823 0.0851584 -0.0470157 0.1583004 0.5613016 -0.1213029 -0.1317561 -0.137157 0.4826267 0.1104219 0.0156234 -0.0285739 -0.040657 0.052243 0.0300071 0.0225918 -0.0319648 0.0612941 0.0341505 -0.0417697 0.0504349 -0.1522069 -0.0764861 -0.0352157 0.0164078 -0.0498141 0.0231467 0.0267544 -0.0308813 0.0418004 -0.0198112 0.0880086 0.0327614 0.0455319 0.0348683 0.080106 0.0093186 -0.0121805 -0.0465212 -0.0068703 0.0604704 0.092097 -0.0389643 0.0805582 0.0726238 0.3842881 -0.2224704 -0.0018582 -0.2088508 0.3948958 -0.0149744 0.0464301 -0.0018481 0.0616507 -0.0386398 -0.0960689 -0.0204146 0.0185645 0.1241737 0.0364737 0.0300854 0.0711844 0.1017786 0.0407687 0.0017994 0.0175757 0.0149839 0.0183713 -0.0606041 -0.009645 -0.0101633 -0.0008303 -0.0442824 -0.0346019 -0.0183495 0.0103675 0.0557472 0.0021309 -0.0229473 0.0031305 0.0720709 0.2008091 0.2095887 0.0695649 0.2705895 0.0769205 0.0462786 0.063139 0.0218158 -0.0406504 0.3863376 -0.3915473 -0.1219846 -0.2727567 0.3344971 0.038168 -0.0792668 0.1430806 0.1945102 -0.0973851 0.0231348 -0.0563225 0.0062016 -0.084156 -0.0125555 -0.0692008 -0.0271004 0.0208985 -0.1263049 0.0087514 -0.0133718 -0.0054093 -0.0782686 0.016913 -0.0130156 0.031749 0.0493687 -0.1964883 -0.0914943 -0.0095186 -0.0909454 -0.1749395 0.023927 0.0010203 0.0240072 0.0462225 -0.144118 -0.0640207 -0.0941625 -0.0663348 -0.1704881 -0.0683497 -0.1013961 -0.0702314 -0.0102132 0.1472859 -0.1386637 -0.0410696 -0.1093161 0.180298 -0.1007694 -0.043721 -0.1364515 0.4389758 0.6041794 0.6400369 0.152224 0.6705262 0.6223903 0.1736554 0.1502605 0.1641111 0.0637827 0.0828595 0.0062139 -0.0103148 0.0096332 -0.0455115 -0.0444427 -0.0040346 -0.0554078 -0.0720073 -0.0302103 0.0564948 -0.0129691 0.0937951 -0.128298 0.0203392 0.018311 -0.0428699 0.0619407 -0.0334096 -0.0106092 -0.0480726 -0.0434561 0.0354082 -0.0912272 -0.0622086 -0.0419628 -0.1401842 -0.0342026 0.0303929 0.0713056 0.0593534 0.0164858 -0.086857 0.0803608 -0.0399355 -0.0775576 0.0007644 -0.0563965 0.0118345 -0.1078247 -0.1099884 0.0016089 -0.0075686 -0.0262927 0.0397782 0.0440537 0.0325916 0.0469985 0.0433763 0.0505655 0.0394451 -0.0057123 0.0621303 -0.0570482 -0.0658575 0.0058843 -0.0055145 -0.0670902 -0.0451341 -0.0100633 0.0106325 0.0059045 0.0637048 -0.0108615 0.0294012 0.0132811 0.0059543 0.032982 -0.0331331 0.0092291 -0.1146606 -0.0824622 -0.0037945 0.0093191 -0.0135139 0.0009866 -0.0245569 0.0520376 -0.0313892 0.0945057 -0.0062961 -0.0884944 0.1226613 -0.0016403 0.1253406 -0.0430057 -0.0030878 -0.0508333 0.0343464 0.0408258 0.0563168 -0.0326035 0.0422191 -0.0681856 0.0243434 0.0872941 0.0598571 0.0359627 -0.0384094 -0.0670703 -0.1057753 -0.0647548 -0.0996765 0.0006814 -0.0390512 -0.0485615 -0.037986 0.0207587 0.0493008 -0.0056747 0.0428127 -0.0273634 0.0012504 -0.0861804 0.0061605 -0.1204767 -0.1222941 0.0393645 -0.0379169 0.0086094 -0.0905613 -0.0298069 0.0635359 0.0530692 0.0952004 -0.016921 -0.0887481 0.072784 -0.0204281 0.1555107 -0.0545974 0.0141041 -0.0121133 -0.0059881 0.0698703 0.3169823 -0.0615023 -0.0485012 -0.0898143 0.5030578 0.0670948 -0.0595242 0.0760026 0.2967434 0.1071998 0.0452677 -0.0055825 0.0397123 0.1111042 0.0649939 -0.0146007 0.0715681 0.0573612 0.0457825 -0.0594387 0.0766853 -0.0653161 0.0524559 0.0387585 0.07992 0.0413499 0.0143743 0.0966034 -0.0395039 -0.0371287 -0.04332 0.0523184 -0.0699654 -0.0355258 -0.0657236 -0.0600459 0.0960093 -0.0359342 -0.0161844 -0.0440523 0.0828925 -0.0500723 -0.0205283 -0.0491573 -0.0176698 0.0576158 -0.0558292 0.053796 -0.065469 0.0799195 0.0257948 0.0581661 0.0296024 0.0218745 0.0942218 0.0494818 -0.0151116 0.0414369 0.091462 0.0386503 -0.0115466 0.042651 0.0383124 251.9961756|26.2437417|230.9307228|3.3234319|11.870582|204.5017864 0.000011053 0.000010826 0.000000871 -0.000008425 -0.000001747 0.000010632 0.000026088 -0.000004867 -0.000009996 0.000013338 -0.000009082 0.000005251 0.000002095 0.000011451 0.000002362 0.000002188 0.000012595 -0.000016056 0.000006209 -0.000008127 0.000004073 -0.000016391 -0.000009093 -0.000005232 -0.000004768 -0.000001781 0.000003481 0.000002669 0.000002765 0.000008983 -0.000001673 0.000010790 0.000015954 0.000002220 -0.000000479 0.000007729 0.000002943 -0.000009913 0.000002083 0.000004240 0.000001795 0.000003253 0.000001328 -0.000000443 0.000003708 -0.000015878 -0.000011471 0.000016906 -0.000002980 -0.000008653 -0.000003095 -0.000002049 0.000002136 -0.000005061 0.000012430 0.000013772 0.000003499 0.000008854 0.000007841 -0.000005138 -0.000022285 0.000012218 -0.000013886 -0.000018452 -0.000018314 -0.000000855 0.000002418 0.000002517 0.000000501 -0.000002092 0.000000563 -0.000001971 -0.000001407 0.000004018 -0.000002651 0.000000593 -0.000000360 -0.000002682 0.000002013 -0.000000523 -0.000004339 -0.000001768 -0.000000768 -0.000002084 -0.000001059 -0.000001558 -0.000005568 0.000000138 -0.000006159 -0.000004331 -0.000000328 0.000001875 -0.000001787 -0.000000007 0.000003098 0.000002641 -0.000001706 0.000003943 0.000000487 0.000000607 0.000004381 -0.000000548 -0.000003074 -0.000000548 0.000001411 -0.000001688 -0.000000759 -0.000000247 -0.000000240 0.000000315 -0.000001360 0.000006674 -0.000005457 0.000000486 0.000002285 -0.000000545 -0.000003227 -0.000001091 -0.000001404 -0.000000949 -0.000001429 -0.000001921 -0.000001339 -0.000000187 -0.000001698 -0.000002436 -0.000001744 -0.000001172 -0.000000192 0.000000339 -0.000000058 0.000000718 297.6543999999998 AuxInfo=1/0/N:13,14,17,18,19,20,10,9,12,11,21,16,15,8,22,7,6,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,11.3,12.3,13.3,15.3,19.2,20.2/rA:44ClONN2N2CCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s3s6;s8;s7;s7;s12;s3s5;s15;s15;s17;s18;s4s5;s1s19s20;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s13;s14;s14;s14;s2;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 26-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 126 C1[X(C17H22ClN3O)] 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 0 297.6543999999998 AuxInfo=1/0/N:13,14,17,18,19,20,10,9,12,11,21,16,15,8,22,7,6,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,11.3,12.3,13.3,15.3,19.2,20.2/rA:44ClONN2N2CCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s3s6;s8;s7;s7;s12;s3s5;s15;s15;s17;s18;s4s5;s1s19s20;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s13;s14;s14;s14;s2;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/metconazole_trans/gas/CONF14/ #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 metconazole_trans CONF14 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 35 16 14 14 14 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 34.9688527 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 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 3 0 2 2 2 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 14.2400000 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 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 646 A 624 A 624 985 646 85 85 1971.6070856410 44 44 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0547836432 0.000000 8.703506 0.000000 9.029663 2.976774 0.000000 9.157639 2.824270 1.357400 0.000000 9.301387 4.884081 2.195556 2.257230 0.000000 8.279462 1.420209 2.533093 3.028515 4.609367 0.000000 8.845969 2.449474 3.884950 4.519550 6.028643 1.577112 0.000000 6.752620 2.475520 3.151764 3.648444 4.795033 1.554813 2.427724 0.000000 8.219491 3.691305 4.355952 5.265172 6.299364 2.447456 1.553942 2.466478 0.000000 6.847676 3.706100 3.947797 4.804519 5.566334 2.442537 2.498492 1.538807 1.553755 0.000000 9.147891 2.420457 1.461782 2.457147 3.623178 1.548466 2.547597 2.609554 3.108855 3.133591 0.000000 6.070423 3.244264 3.011168 3.290930 3.966732 2.666407 3.894422 1.538163 3.858054 2.592934 3.197333 0.000000 8.725789 2.762432 5.064833 5.402975 7.156353 2.553310 1.543798 3.047409 2.543410 3.317603 3.883241 4.511956 0.000000 10.368625 3.193706 4.317835 4.988737 6.495472 2.613079 1.536143 3.832937 2.567276 3.808171 2.892432 5.182009 2.481090 0.000000 4.558681 4.471638 4.492598 4.695823 5.125650 3.955583 4.921719 2.519473 4.621029 3.161133 4.657410 1.512327 5.259468 6.349771 0.000000 9.125338 4.288175 1.347918 2.203650 1.322917 3.706073 4.977489 3.980306 5.133864 4.528975 2.543411 3.475016 6.243096 5.400152 4.775027 0.000000 4.022014 4.763727 5.452297 5.394155 6.136018 4.580915 5.450582 3.227966 5.342624 4.040916 5.562757 2.527699 5.398521 6.935514 1.399483 5.908273 0.000000 4.023200 5.677987 5.229373 5.643416 5.589533 4.935362 5.757682 3.466799 5.110468 3.559139 5.418081 2.538213 6.232234 7.148824 1.396999 5.207999 2.398442 0.000000 2.730262 6.107118 6.789043 6.751004 7.327377 5.894633 6.619435 4.474496 6.347533 5.023755 6.892222 3.816266 6.444390 8.138214 2.434305 7.143220 1.391844 2.783355 0.000000 2.729463 6.852273 6.611656 6.955698 6.874061 6.178142 6.877969 4.652623 6.152396 4.642253 6.776633 3.824956 7.164448 8.323668 2.434114 6.572334 2.783307 1.394035 2.421011 0.000000 9.294806 4.104190 2.098938 1.325520 1.357340 4.217689 5.731986 4.561241 6.298483 5.642150 3.504253 3.806152 6.656865 6.220712 5.033054 2.095194 5.795559 5.803184 7.060349 7.068848 0.000000 1.761581 7.019966 7.273210 7.419619 7.636021 6.571087 7.241919 5.050052 6.691436 5.263380 7.402730 4.308920 7.244272 8.753089 2.797100 7.414582 2.399228 2.399389 1.391970 1.390008 7.607338 0.000000 6.429088 2.535463 4.039490 4.280393 5.657804 2.098653 2.649612 1.092689 2.873952 2.152404 3.475430 2.113685 2.657976 4.146132 2.627593 4.961378 2.835831 3.739946 4.018977 4.707674 5.241268 4.806464 0.000000 8.266278 4.438040 5.431328 6.283644 7.367669 3.356186 2.189960 3.224726 1.092126 2.211064 4.173745 4.639230 2.585302 3.071407 5.157694 6.214526 5.712266 5.578444 6.558083 6.441229 7.339049 6.875771 3.335200 0.000000 8.948825 4.316727 4.392986 5.487490 6.268964 2.996918 2.190616 3.222650 1.094080 2.191196 3.122579 4.438640 3.427111 2.612564 5.299235 5.004810 6.188182 5.626226 7.199259 6.718671 6.446315 7.420046 3.838033 1.748867 0.000000 7.028278 4.300920 3.726205 4.768503 5.085213 2.956620 3.226085 2.172524 2.194181 1.095830 3.116937 2.709981 4.294499 4.299490 3.321361 3.995252 4.468785 3.401128 5.417363 4.569076 5.417427 5.444391 3.036154 2.945514 2.323212 0.000000 6.057191 4.479796 4.930165 5.696716 6.393202 3.366935 3.284033 2.186849 2.218906 1.090973 4.205045 3.009353 3.723585 4.656071 3.037921 5.437942 3.747149 3.233077 4.479877 4.055892 6.471162 4.598772 2.390611 2.391080 2.923582 1.749185 0.000000 9.139955 3.369281 2.059145 3.315886 3.911101 2.191762 2.756122 2.858555 2.776563 2.832067 1.090667 3.465926 4.251586 3.050730 4.796825 2.637415 5.865312 5.298927 7.108865 6.646442 4.142461 7.430983 3.845976 3.853622 2.476739 2.530785 3.908995 0.000000 10.175499 2.623681 2.065886 2.787009 4.125622 2.156512 2.780613 3.525185 3.638358 4.021523 1.089497 4.215073 4.053968 2.549179 5.685496 3.143454 6.500157 6.498017 7.849831 7.849799 3.887499 8.431686 4.245957 4.626472 3.540847 4.074386 5.094678 1.771155 0.000000 6.521350 3.814792 2.606930 3.167613 3.250424 3.036701 4.274586 2.179330 4.067671 2.807090 3.032455 1.091823 5.178974 5.389978 2.133724 2.683316 3.393882 2.631084 4.555803 4.016377 3.444992 4.788043 3.034549 4.956253 4.391850 2.482998 3.353694 3.079865 4.095782 0.000000 6.524640 2.920673 2.866437 2.677291 3.660631 2.828366 4.259509 2.160795 4.575971 3.512073 3.332072 1.093285 4.756128 5.440904 2.139108 3.458474 2.723308 3.326953 4.076914 4.508173 3.168308 4.791918 2.497785 5.385237 5.177597 3.700513 3.988407 3.886437 4.210737 1.757502 0.000000 9.307961 3.805691 5.972209 6.406717 8.102120 3.502396 2.163787 3.957570 2.816629 3.886448 4.682111 5.466609 1.093688 2.667459 6.124244 7.111852 6.254986 6.982933 7.191185 7.838969 7.667237 7.919900 3.587415 2.476971 3.572952 4.844076 4.166581 4.895631 4.755853 6.083112 5.799971 0.000000 9.282009 2.454383 5.155097 5.250488 7.225163 2.806602 2.183617 3.570955 3.496781 4.177256 4.090470 4.885839 1.090406 2.745702 5.725946 6.435232 5.740091 6.842718 6.841680 7.799209 6.545226 7.785018 3.122548 3.654889 4.297120 5.108743 4.653290 4.684939 4.075954 5.600768 4.888244 1.775479 0.000000 7.736350 3.026006 5.317826 5.589835 7.262482 2.819705 2.208423 2.747560 2.767617 3.085468 4.308029 4.109482 1.091196 3.461128 4.580905 6.425600 4.545973 5.561540 5.487682 6.362641 6.760902 6.317067 2.038745 2.699053 3.815707 4.159312 3.220174 4.655370 4.700306 4.918989 4.405576 1.760790 1.764301 0.000000 10.722110 3.738507 4.046749 4.921825 6.122781 2.947171 2.205305 4.144984 2.788514 3.954067 2.650729 5.343791 3.462984 1.092952 6.589299 4.948920 7.360663 7.252749 8.582471 8.490578 6.040721 9.076768 4.696609 3.449562 2.407959 4.167595 4.897903 2.537605 2.219601 5.328181 5.661435 3.656550 3.788112 4.350604 0.000000 10.882010 2.928283 4.361879 4.773950 6.511620 2.843865 2.178581 4.268436 3.514763 4.580807 3.097807 5.510054 2.765066 1.093743 6.757068 5.556362 7.237460 7.697732 8.496623 8.896935 6.050062 9.239828 4.489605 4.034911 3.654286 5.098750 5.448607 3.561905 2.482663 5.778207 5.555144 3.072586 2.579619 3.788863 1.776071 0.000000 10.824249 4.100406 5.389601 6.073932 7.561442 3.548174 2.166082 4.580036 2.873842 4.327708 3.946718 6.024172 2.649397 1.093509 7.063263 6.433568 7.579475 7.805878 8.695041 8.895942 7.309585 9.286492 4.757812 2.998201 2.885683 4.886399 5.017221 3.971127 3.619891 6.277621 6.356785 2.367157 3.006478 3.660234 1.755531 1.766513 0.000000 8.800507 0.971224 2.504946 1.991930 4.163564 1.959104 3.279755 2.846108 4.395020 4.196641 2.454226 3.156397 3.728642 3.919695 4.464073 3.776281 4.806392 5.678717 6.184192 6.892033 3.240077 7.091966 3.055805 5.236667 4.921325 4.615524 5.000147 3.498514 2.676636 3.611919 2.572834 4.774341 3.393888 3.920512 4.284009 3.584986 4.904618 0.000000 9.257052 4.962140 2.135902 3.232134 2.148178 4.117279 5.162248 4.282633 5.035446 4.461006 2.875524 3.889672 6.546458 5.527691 5.070282 1.079311 6.332509 5.253277 7.489498 6.595275 3.152350 7.588394 5.344988 6.090907 4.717473 3.717001 5.345554 2.532336 3.495683 2.946825 4.141105 7.312993 6.884452 6.746344 4.925863 5.855339 6.482484 4.602917 0.000000 4.871710 4.183079 5.343957 5.084016 6.179156 4.307996 5.209068 3.208936 5.403926 4.308255 5.421941 2.723367 4.976442 6.644856 2.151998 5.996921 1.085402 3.384789 2.141493 3.868682 5.609511 3.380347 2.603520 5.784619 6.318987 4.887963 4.166213 5.907090 6.245576 3.737883 2.572666 5.890684 5.132948 4.146368 7.177813 6.800880 7.301386 4.224864 6.563056 0.000000 4.871186 5.881590 4.933227 5.549725 5.173176 4.961644 5.772226 3.629841 4.989157 3.469316 5.156952 2.743797 6.490380 7.040273 2.150705 4.699284 3.385594 1.084986 3.868298 2.141769 5.626562 3.378932 4.173981 5.548462 5.300364 2.982349 3.310114 4.860783 6.245024 2.403330 3.628349 7.207891 7.153811 5.963307 6.981884 7.654012 7.718702 5.850650 4.556170 4.286900 0.000000 2.864047 6.598869 7.591744 7.427463 8.163498 6.562076 7.229029 5.232849 7.076889 5.863204 7.670253 4.684681 6.846756 8.742464 3.416876 8.034729 2.157870 3.865934 1.082609 3.398866 7.769874 2.149270 4.609430 7.205358 7.997364 6.364164 5.296236 7.971078 8.570519 5.509335 4.796540 7.561522 7.149404 5.838099 9.282367 9.030565 9.254259 6.696901 8.450295 2.476019 4.950849 0.000000 2.864059 7.786664 7.308282 7.754164 7.432038 7.007453 7.642904 5.499805 6.762869 5.275145 7.484317 4.696420 8.013020 9.044706 3.416117 7.118840 3.865882 2.159549 3.399377 1.082594 7.783249 2.147816 5.646040 7.014158 7.216817 5.047833 4.650024 7.228470 8.569142 4.706933 5.436839 8.625026 8.713168 7.240585 9.129708 9.687770 9.584626 7.824890 7.006199 4.951238 2.475490 4.288293 0.000000 9.595149 4.699940 3.138287 2.104338 2.151611 5.048471 6.585635 5.349349 7.239789 6.545067 4.488081 4.487536 7.369125 7.087393 5.562145 3.137727 6.146603 6.380470 7.351651 7.552273 1.078981 7.969941 5.896588 8.253030 7.456674 6.381018 7.314325 5.194200 4.796434 4.249059 3.678558 8.411819 7.149152 7.423883 6.980384 6.813618 8.173709 3.758841 4.165778 5.875909 6.308385 7.966208 8.291906 0.000000 C17H22ClN3O 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 0 297.6543999999998 AuxInfo=1/0/N:13,14,17,18,19,20,10,9,12,11,21,16,15,8,22,7,6,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,11.3,12.3,13.3,15.3,19.2,20.2/rA:44ClONN2N2CCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s3s6;s8;s7;s7;s12;s3s5;s15;s15;s17;s18;s4s5;s1s19s20;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s13;s14;s14;s14;s2;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3899740 0.1447314 0.1189873 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= 624 RedAO= T EigKep= 1.53D-06 NBF= 624 NBsUse= 621 1.00D-06 EigRej= 9.97D-07 NBFU= 621 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= 640 638 638 639 640 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 1 1 -1361.04556344076 -1361.04556344078 -0.000000000025 -1361.04556344 2 1.356011506724e+03 -7.130726599077e+03 2.442117226914e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830302963 LenY= 2829885001 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. PT1287.400S Mon Jul 26 21:48:50 2021 GINC-DEPAZ12 PAULAPLA 26-Jul-2021 0 Wavefunction metconazole_trans CONF14 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1361.0455634 RMSD=6.402e-09 Dipole=-1.0813312,0.0239797,-0.9211483 Quadrupole=-3.080077,-5.7873807,8.8674577,-2.5886908,4.3912613,-2.0896405 PG=C01 [X(C17H22Cl1N3O1)] 0 4.6206904568 3.8460497145 1.087111376 0 -2.365076209 -1.3395024851 1.3323110646 0 -1.1352389487 -2.8073294087 -0.9467604922 0 -0.8502659058 -3.4459496528 0.2166354764 0 0.5501319095 -4.1345171872 -1.414268843 0 -2.1966297627 -0.7378701118 0.0569065045 0 -3.3716194846 0.2812864122 -0.2038652996 0 -0.9537647738 0.1943951417 -0.0031870283 0 -2.7867200604 1.2073655474 -1.3061382048 0 -1.2391778031 1.1316074464 -1.1898204572 0 -2.2263038268 -1.8382599631 -1.0321330188 0 0.4515127983 -0.4309840216 0.0031506747 0 -3.6579691878 1.0886700731 1.0804432925 0 -4.6909380195 -0.3777816154 -0.6337046903 0 1.5163473524 0.6095627076 0.2687108879 0 -0.2909299798 -3.2388956893 -1.9047659795 0 1.7189299593 1.1019714168 1.5629463272 0 2.2945327763 1.1360233698 -0.7651527803 0 2.664750714 2.0892619926 1.8235415901 0 3.2465137009 2.1259668012 -0.5262451427 0 0.1698675665 -4.2248800468 -0.1144206387 0 3.4210525058 2.5955735824 0.7703383706 0 -1.0236644798 0.7724562776 0.9214368341 0 -3.1599605266 2.2267743157 -1.1868218979 0 -3.1130610846 0.8757553526 -2.296364466 0 -0.8030060626 0.7182798645 -2.106203038 0 -0.7759925689 2.1087419987 -1.0452908639 0 -2.180603837 -1.4033909293 -2.0313097659 0 -3.1590939267 -2.3928740688 -0.9356502854 0 0.6624099538 -0.9193332358 -0.9503241002 0 0.4989435225 -1.2022839916 0.7765316897 0 -4.4586507648 1.8062377257 0.8800449786 0 -3.9722387297 0.4295922517 1.8902802297 0 -2.7911817649 1.6549170863 1.4250489386 0 -4.6247216499 -0.8677700251 -1.6084208355 0 -5.0149560235 -1.1148906308 0.1065356038 0 -5.4745476756 0.3807391882 -0.7134851537 0 -1.8211487479 -2.1432831002 1.3691244233 0 -0.3227509036 -2.8764029225 -2.9208854302 0 1.1295168889 0.7052438061 2.3834924007 0 2.1607046477 0.7681545519 -1.777060982 0 2.818064544 2.4605557875 2.8288662219 0 3.8462648114 2.5261301154 -1.3338206206 0 0.6461511437 -4.8738458051 0.6040479352 Gaussian 16 26-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 126 C1[X(C17H22ClN3O)] 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 0 297.6543999999998 AuxInfo=1/0/N:13,14,17,18,19,20,10,9,12,11,21,16,15,8,22,7,6,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,11.3,12.3,13.3,15.3,19.2,20.2/rA:44ClONN2N2CCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s3s6;s8;s7;s7;s12;s3s5;s15;s15;s17;s18;s4s5;s1s19s20;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s13;s14;s14;s14;s2;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/metconazole_trans/gas/CONF14/ #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 metconazole_trans CONF14 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 35 16 14 14 14 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 34.9688527 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 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 3 0 2 2 2 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 14.2400000 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 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 646 A 624 A 624 985 646 85 85 1971.6070856410 44 44 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0547836432 0.000000 8.703506 0.000000 9.029663 2.976774 0.000000 9.157639 2.824270 1.357400 0.000000 9.301387 4.884081 2.195556 2.257230 0.000000 8.279462 1.420209 2.533093 3.028515 4.609367 0.000000 8.845969 2.449474 3.884950 4.519550 6.028643 1.577112 0.000000 6.752620 2.475520 3.151764 3.648444 4.795033 1.554813 2.427724 0.000000 8.219491 3.691305 4.355952 5.265172 6.299364 2.447456 1.553942 2.466478 0.000000 6.847676 3.706100 3.947797 4.804519 5.566334 2.442537 2.498492 1.538807 1.553755 0.000000 9.147891 2.420457 1.461782 2.457147 3.623178 1.548466 2.547597 2.609554 3.108855 3.133591 0.000000 6.070423 3.244264 3.011168 3.290930 3.966732 2.666407 3.894422 1.538163 3.858054 2.592934 3.197333 0.000000 8.725789 2.762432 5.064833 5.402975 7.156353 2.553310 1.543798 3.047409 2.543410 3.317603 3.883241 4.511956 0.000000 10.368625 3.193706 4.317835 4.988737 6.495472 2.613079 1.536143 3.832937 2.567276 3.808171 2.892432 5.182009 2.481090 0.000000 4.558681 4.471638 4.492598 4.695823 5.125650 3.955583 4.921719 2.519473 4.621029 3.161133 4.657410 1.512327 5.259468 6.349771 0.000000 9.125338 4.288175 1.347918 2.203650 1.322917 3.706073 4.977489 3.980306 5.133864 4.528975 2.543411 3.475016 6.243096 5.400152 4.775027 0.000000 4.022014 4.763727 5.452297 5.394155 6.136018 4.580915 5.450582 3.227966 5.342624 4.040916 5.562757 2.527699 5.398521 6.935514 1.399483 5.908273 0.000000 4.023200 5.677987 5.229373 5.643416 5.589533 4.935362 5.757682 3.466799 5.110468 3.559139 5.418081 2.538213 6.232234 7.148824 1.396999 5.207999 2.398442 0.000000 2.730262 6.107118 6.789043 6.751004 7.327377 5.894633 6.619435 4.474496 6.347533 5.023755 6.892222 3.816266 6.444390 8.138214 2.434305 7.143220 1.391844 2.783355 0.000000 2.729463 6.852273 6.611656 6.955698 6.874061 6.178142 6.877969 4.652623 6.152396 4.642253 6.776633 3.824956 7.164448 8.323668 2.434114 6.572334 2.783307 1.394035 2.421011 0.000000 9.294806 4.104190 2.098938 1.325520 1.357340 4.217689 5.731986 4.561241 6.298483 5.642150 3.504253 3.806152 6.656865 6.220712 5.033054 2.095194 5.795559 5.803184 7.060349 7.068848 0.000000 1.761581 7.019966 7.273210 7.419619 7.636021 6.571087 7.241919 5.050052 6.691436 5.263380 7.402730 4.308920 7.244272 8.753089 2.797100 7.414582 2.399228 2.399389 1.391970 1.390008 7.607338 0.000000 6.429088 2.535463 4.039490 4.280393 5.657804 2.098653 2.649612 1.092689 2.873952 2.152404 3.475430 2.113685 2.657976 4.146132 2.627593 4.961378 2.835831 3.739946 4.018977 4.707674 5.241268 4.806464 0.000000 8.266278 4.438040 5.431328 6.283644 7.367669 3.356186 2.189960 3.224726 1.092126 2.211064 4.173745 4.639230 2.585302 3.071407 5.157694 6.214526 5.712266 5.578444 6.558083 6.441229 7.339049 6.875771 3.335200 0.000000 8.948825 4.316727 4.392986 5.487490 6.268964 2.996918 2.190616 3.222650 1.094080 2.191196 3.122579 4.438640 3.427111 2.612564 5.299235 5.004810 6.188182 5.626226 7.199259 6.718671 6.446315 7.420046 3.838033 1.748867 0.000000 7.028278 4.300920 3.726205 4.768503 5.085213 2.956620 3.226085 2.172524 2.194181 1.095830 3.116937 2.709981 4.294499 4.299490 3.321361 3.995252 4.468785 3.401128 5.417363 4.569076 5.417427 5.444391 3.036154 2.945514 2.323212 0.000000 6.057191 4.479796 4.930165 5.696716 6.393202 3.366935 3.284033 2.186849 2.218906 1.090973 4.205045 3.009353 3.723585 4.656071 3.037921 5.437942 3.747149 3.233077 4.479877 4.055892 6.471162 4.598772 2.390611 2.391080 2.923582 1.749185 0.000000 9.139955 3.369281 2.059145 3.315886 3.911101 2.191762 2.756122 2.858555 2.776563 2.832067 1.090667 3.465926 4.251586 3.050730 4.796825 2.637415 5.865312 5.298927 7.108865 6.646442 4.142461 7.430983 3.845976 3.853622 2.476739 2.530785 3.908995 0.000000 10.175499 2.623681 2.065886 2.787009 4.125622 2.156512 2.780613 3.525185 3.638358 4.021523 1.089497 4.215073 4.053968 2.549179 5.685496 3.143454 6.500157 6.498017 7.849831 7.849799 3.887499 8.431686 4.245957 4.626472 3.540847 4.074386 5.094678 1.771155 0.000000 6.521350 3.814792 2.606930 3.167613 3.250424 3.036701 4.274586 2.179330 4.067671 2.807090 3.032455 1.091823 5.178974 5.389978 2.133724 2.683316 3.393882 2.631084 4.555803 4.016377 3.444992 4.788043 3.034549 4.956253 4.391850 2.482998 3.353694 3.079865 4.095782 0.000000 6.524640 2.920673 2.866437 2.677291 3.660631 2.828366 4.259509 2.160795 4.575971 3.512073 3.332072 1.093285 4.756128 5.440904 2.139108 3.458474 2.723308 3.326953 4.076914 4.508173 3.168308 4.791918 2.497785 5.385237 5.177597 3.700513 3.988407 3.886437 4.210737 1.757502 0.000000 9.307961 3.805691 5.972209 6.406717 8.102120 3.502396 2.163787 3.957570 2.816629 3.886448 4.682111 5.466609 1.093688 2.667459 6.124244 7.111852 6.254986 6.982933 7.191185 7.838969 7.667237 7.919900 3.587415 2.476971 3.572952 4.844076 4.166581 4.895631 4.755853 6.083112 5.799971 0.000000 9.282009 2.454383 5.155097 5.250488 7.225163 2.806602 2.183617 3.570955 3.496781 4.177256 4.090470 4.885839 1.090406 2.745702 5.725946 6.435232 5.740091 6.842718 6.841680 7.799209 6.545226 7.785018 3.122548 3.654889 4.297120 5.108743 4.653290 4.684939 4.075954 5.600768 4.888244 1.775479 0.000000 7.736350 3.026006 5.317826 5.589835 7.262482 2.819705 2.208423 2.747560 2.767617 3.085468 4.308029 4.109482 1.091196 3.461128 4.580905 6.425600 4.545973 5.561540 5.487682 6.362641 6.760902 6.317067 2.038745 2.699053 3.815707 4.159312 3.220174 4.655370 4.700306 4.918989 4.405576 1.760790 1.764301 0.000000 10.722110 3.738507 4.046749 4.921825 6.122781 2.947171 2.205305 4.144984 2.788514 3.954067 2.650729 5.343791 3.462984 1.092952 6.589299 4.948920 7.360663 7.252749 8.582471 8.490578 6.040721 9.076768 4.696609 3.449562 2.407959 4.167595 4.897903 2.537605 2.219601 5.328181 5.661435 3.656550 3.788112 4.350604 0.000000 10.882010 2.928283 4.361879 4.773950 6.511620 2.843865 2.178581 4.268436 3.514763 4.580807 3.097807 5.510054 2.765066 1.093743 6.757068 5.556362 7.237460 7.697732 8.496623 8.896935 6.050062 9.239828 4.489605 4.034911 3.654286 5.098750 5.448607 3.561905 2.482663 5.778207 5.555144 3.072586 2.579619 3.788863 1.776071 0.000000 10.824249 4.100406 5.389601 6.073932 7.561442 3.548174 2.166082 4.580036 2.873842 4.327708 3.946718 6.024172 2.649397 1.093509 7.063263 6.433568 7.579475 7.805878 8.695041 8.895942 7.309585 9.286492 4.757812 2.998201 2.885683 4.886399 5.017221 3.971127 3.619891 6.277621 6.356785 2.367157 3.006478 3.660234 1.755531 1.766513 0.000000 8.800507 0.971224 2.504946 1.991930 4.163564 1.959104 3.279755 2.846108 4.395020 4.196641 2.454226 3.156397 3.728642 3.919695 4.464073 3.776281 4.806392 5.678717 6.184192 6.892033 3.240077 7.091966 3.055805 5.236667 4.921325 4.615524 5.000147 3.498514 2.676636 3.611919 2.572834 4.774341 3.393888 3.920512 4.284009 3.584986 4.904618 0.000000 9.257052 4.962140 2.135902 3.232134 2.148178 4.117279 5.162248 4.282633 5.035446 4.461006 2.875524 3.889672 6.546458 5.527691 5.070282 1.079311 6.332509 5.253277 7.489498 6.595275 3.152350 7.588394 5.344988 6.090907 4.717473 3.717001 5.345554 2.532336 3.495683 2.946825 4.141105 7.312993 6.884452 6.746344 4.925863 5.855339 6.482484 4.602917 0.000000 4.871710 4.183079 5.343957 5.084016 6.179156 4.307996 5.209068 3.208936 5.403926 4.308255 5.421941 2.723367 4.976442 6.644856 2.151998 5.996921 1.085402 3.384789 2.141493 3.868682 5.609511 3.380347 2.603520 5.784619 6.318987 4.887963 4.166213 5.907090 6.245576 3.737883 2.572666 5.890684 5.132948 4.146368 7.177813 6.800880 7.301386 4.224864 6.563056 0.000000 4.871186 5.881590 4.933227 5.549725 5.173176 4.961644 5.772226 3.629841 4.989157 3.469316 5.156952 2.743797 6.490380 7.040273 2.150705 4.699284 3.385594 1.084986 3.868298 2.141769 5.626562 3.378932 4.173981 5.548462 5.300364 2.982349 3.310114 4.860783 6.245024 2.403330 3.628349 7.207891 7.153811 5.963307 6.981884 7.654012 7.718702 5.850650 4.556170 4.286900 0.000000 2.864047 6.598869 7.591744 7.427463 8.163498 6.562076 7.229029 5.232849 7.076889 5.863204 7.670253 4.684681 6.846756 8.742464 3.416876 8.034729 2.157870 3.865934 1.082609 3.398866 7.769874 2.149270 4.609430 7.205358 7.997364 6.364164 5.296236 7.971078 8.570519 5.509335 4.796540 7.561522 7.149404 5.838099 9.282367 9.030565 9.254259 6.696901 8.450295 2.476019 4.950849 0.000000 2.864059 7.786664 7.308282 7.754164 7.432038 7.007453 7.642904 5.499805 6.762869 5.275145 7.484317 4.696420 8.013020 9.044706 3.416117 7.118840 3.865882 2.159549 3.399377 1.082594 7.783249 2.147816 5.646040 7.014158 7.216817 5.047833 4.650024 7.228470 8.569142 4.706933 5.436839 8.625026 8.713168 7.240585 9.129708 9.687770 9.584626 7.824890 7.006199 4.951238 2.475490 4.288293 0.000000 9.595149 4.699940 3.138287 2.104338 2.151611 5.048471 6.585635 5.349349 7.239789 6.545067 4.488081 4.487536 7.369125 7.087393 5.562145 3.137727 6.146603 6.380470 7.351651 7.552273 1.078981 7.969941 5.896588 8.253030 7.456674 6.381018 7.314325 5.194200 4.796434 4.249059 3.678558 8.411819 7.149152 7.423883 6.980384 6.813618 8.173709 3.758841 4.165778 5.875909 6.308385 7.966208 8.291906 0.000000 C17H22ClN3O 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 0 297.6543999999998 AuxInfo=1/0/N:13,14,17,18,19,20,10,9,12,11,21,16,15,8,22,7,6,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,11.3,12.3,13.3,15.3,19.2,20.2/rA:44ClONN2N2CCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s3s6;s8;s7;s7;s12;s3s5;s15;s15;s17;s18;s4s5;s1s19s20;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s13;s14;s14;s14;s2;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3899740 0.1447314 0.1189873 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= 624 RedAO= T EigKep= 1.53D-06 NBF= 624 NBsUse= 621 1.00D-06 EigRej= 9.97D-07 NBFU= 621 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= 640 638 638 639 640 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 1 1 -1361.04556344075 -1361.04556344053 0.000000000227 -1361.04556344 2 1.356011506724e+03 -7.130726599077e+03 2.442117226914e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830302963 LenY= 2829885001 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 1 Singlet-A 5.0470 245.66 0.0068 0.000 84 86 0.16337 84 88 -0.29444 85 86 0.49881 85 87 0.32084 85 88 0.14375 -1360.86008960 2 Singlet-A 5.4142 229.00 0.0248 0.000 85 86 -0.35740 85 87 0.58794 3 Singlet-A 5.6035 221.26 0.1675 0.000 84 86 0.22905 84 87 0.13150 85 86 -0.17822 85 88 0.62171 4 Singlet-A 5.7322 216.29 0.0008 0.000 85 89 0.58632 85 90 0.33960 85 93 -0.12758 5 Singlet-A 5.9396 208.74 0.0037 0.000 83 86 -0.32001 83 87 0.55667 83 88 -0.13921 84 87 -0.19951 6 Singlet-A 5.9768 207.44 0.0010 0.000 85 89 -0.36241 85 90 0.46866 85 91 0.12900 85 92 0.15430 85 93 -0.28797 7 Singlet-A 6.0687 204.30 0.0067 0.000 81 86 -0.27851 81 87 0.57267 81 88 -0.22846 8 Singlet-A 6.0966 203.37 0.0047 0.000 83 86 0.53968 83 87 0.36490 84 86 -0.20498 9 Singlet-A 6.1192 202.62 0.0046 0.000 83 86 -0.26112 83 87 0.10096 84 86 -0.24879 84 87 0.54400 84 88 -0.20159 84 89 0.11341 10 Singlet-A 6.1932 200.19 0.0018 0.000 85 90 0.21715 85 91 0.38055 85 92 -0.16573 85 93 0.49287 85 94 -0.12551 PT46061.900S Mon Jul 26 22:36:50 2021 GINC-DEPAZ12 PAULAPLA 26-Jul-2021 0 Electronic spectrum metconazole_trans CONF14 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1361.0455634 RMSD=6.404e-09 PG=C01 [X(C17H22Cl1N3O1)] 0 4.6206904568 3.8460497145 1.087111376 0 -2.365076209 -1.3395024851 1.3323110646 0 -1.1352389487 -2.8073294087 -0.9467604922 0 -0.8502659058 -3.4459496528 0.2166354764 0 0.5501319095 -4.1345171872 -1.414268843 0 -2.1966297627 -0.7378701118 0.0569065045 0 -3.3716194846 0.2812864122 -0.2038652996 0 -0.9537647738 0.1943951417 -0.0031870283 0 -2.7867200604 1.2073655474 -1.3061382048 0 -1.2391778031 1.1316074464 -1.1898204572 0 -2.2263038268 -1.8382599631 -1.0321330188 0 0.4515127983 -0.4309840216 0.0031506747 0 -3.6579691878 1.0886700731 1.0804432925 0 -4.6909380195 -0.3777816154 -0.6337046903 0 1.5163473524 0.6095627076 0.2687108879 0 -0.2909299798 -3.2388956893 -1.9047659795 0 1.7189299593 1.1019714168 1.5629463272 0 2.2945327763 1.1360233698 -0.7651527803 0 2.664750714 2.0892619926 1.8235415901 0 3.2465137009 2.1259668012 -0.5262451427 0 0.1698675665 -4.2248800468 -0.1144206387 0 3.4210525058 2.5955735824 0.7703383706 0 -1.0236644798 0.7724562776 0.9214368341 0 -3.1599605266 2.2267743157 -1.1868218979 0 -3.1130610846 0.8757553526 -2.296364466 0 -0.8030060626 0.7182798645 -2.106203038 0 -0.7759925689 2.1087419987 -1.0452908639 0 -2.180603837 -1.4033909293 -2.0313097659 0 -3.1590939267 -2.3928740688 -0.9356502854 0 0.6624099538 -0.9193332358 -0.9503241002 0 0.4989435225 -1.2022839916 0.7765316897 0 -4.4586507648 1.8062377257 0.8800449786 0 -3.9722387297 0.4295922517 1.8902802297 0 -2.7911817649 1.6549170863 1.4250489386 0 -4.6247216499 -0.8677700251 -1.6084208355 0 -5.0149560235 -1.1148906308 0.1065356038 0 -5.4745476756 0.3807391882 -0.7134851537 0 -1.8211487479 -2.1432831002 1.3691244233 0 -0.3227509036 -2.8764029225 -2.9208854302 0 1.1295168889 0.7052438061 2.3834924007 0 2.1607046477 0.7681545519 -1.777060982 0 2.818064544 2.4605557875 2.8288662219 0 3.8462648114 2.5261301154 -1.3338206206 0 0.6461511437 -4.8738458051 0.6040479352 Gaussian 16 26-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 126 C1[X(C17H22ClN3O)] 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 0 297.6543999999998 AuxInfo=1/0/N:13,14,17,18,19,20,10,9,12,11,21,16,15,8,22,7,6,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,11.3,12.3,13.3,15.3,19.2,20.2/rA:44ClONN2N2CCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s3s6;s8;s7;s7;s12;s3s5;s15;s15;s17;s18;s4s5;s1s19s20;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s13;s14;s14;s14;s2;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/metconazole_trans/gas/CONF14/ #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 metconazole_trans CONF14 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 35 16 14 14 14 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 34.9688527 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 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 3 0 2 2 2 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 14.2400000 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 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 1196 A 1064 A 1064 1535 1196 85 85 1971.6070856410 44 44 44 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0547836432 0.000000 8.703506 0.000000 9.029663 2.976774 0.000000 9.157639 2.824270 1.357400 0.000000 9.301387 4.884081 2.195556 2.257230 0.000000 8.279462 1.420209 2.533093 3.028515 4.609367 0.000000 8.845969 2.449474 3.884950 4.519550 6.028643 1.577112 0.000000 6.752620 2.475520 3.151764 3.648444 4.795033 1.554813 2.427724 0.000000 8.219491 3.691305 4.355952 5.265172 6.299364 2.447456 1.553942 2.466478 0.000000 6.847676 3.706100 3.947797 4.804519 5.566334 2.442537 2.498492 1.538807 1.553755 0.000000 9.147891 2.420457 1.461782 2.457147 3.623178 1.548466 2.547597 2.609554 3.108855 3.133591 0.000000 6.070423 3.244264 3.011168 3.290930 3.966732 2.666407 3.894422 1.538163 3.858054 2.592934 3.197333 0.000000 8.725789 2.762432 5.064833 5.402975 7.156353 2.553310 1.543798 3.047409 2.543410 3.317603 3.883241 4.511956 0.000000 10.368625 3.193706 4.317835 4.988737 6.495472 2.613079 1.536143 3.832937 2.567276 3.808171 2.892432 5.182009 2.481090 0.000000 4.558681 4.471638 4.492598 4.695823 5.125650 3.955583 4.921719 2.519473 4.621029 3.161133 4.657410 1.512327 5.259468 6.349771 0.000000 9.125338 4.288175 1.347918 2.203650 1.322917 3.706073 4.977489 3.980306 5.133864 4.528975 2.543411 3.475016 6.243096 5.400152 4.775027 0.000000 4.022014 4.763727 5.452297 5.394155 6.136018 4.580915 5.450582 3.227966 5.342624 4.040916 5.562757 2.527699 5.398521 6.935514 1.399483 5.908273 0.000000 4.023200 5.677987 5.229373 5.643416 5.589533 4.935362 5.757682 3.466799 5.110468 3.559139 5.418081 2.538213 6.232234 7.148824 1.396999 5.207999 2.398442 0.000000 2.730262 6.107118 6.789043 6.751004 7.327377 5.894633 6.619435 4.474496 6.347533 5.023755 6.892222 3.816266 6.444390 8.138214 2.434305 7.143220 1.391844 2.783355 0.000000 2.729463 6.852273 6.611656 6.955698 6.874061 6.178142 6.877969 4.652623 6.152396 4.642253 6.776633 3.824956 7.164448 8.323668 2.434114 6.572334 2.783307 1.394035 2.421011 0.000000 9.294806 4.104190 2.098938 1.325520 1.357340 4.217689 5.731986 4.561241 6.298483 5.642150 3.504253 3.806152 6.656865 6.220712 5.033054 2.095194 5.795559 5.803184 7.060349 7.068848 0.000000 1.761581 7.019966 7.273210 7.419619 7.636021 6.571087 7.241919 5.050052 6.691436 5.263380 7.402730 4.308920 7.244272 8.753089 2.797100 7.414582 2.399228 2.399389 1.391970 1.390008 7.607338 0.000000 6.429088 2.535463 4.039490 4.280393 5.657804 2.098653 2.649612 1.092689 2.873952 2.152404 3.475430 2.113685 2.657976 4.146132 2.627593 4.961378 2.835831 3.739946 4.018977 4.707674 5.241268 4.806464 0.000000 8.266278 4.438040 5.431328 6.283644 7.367669 3.356186 2.189960 3.224726 1.092126 2.211064 4.173745 4.639230 2.585302 3.071407 5.157694 6.214526 5.712266 5.578444 6.558083 6.441229 7.339049 6.875771 3.335200 0.000000 8.948825 4.316727 4.392986 5.487490 6.268964 2.996918 2.190616 3.222650 1.094080 2.191196 3.122579 4.438640 3.427111 2.612564 5.299235 5.004810 6.188182 5.626226 7.199259 6.718671 6.446315 7.420046 3.838033 1.748867 0.000000 7.028278 4.300920 3.726205 4.768503 5.085213 2.956620 3.226085 2.172524 2.194181 1.095830 3.116937 2.709981 4.294499 4.299490 3.321361 3.995252 4.468785 3.401128 5.417363 4.569076 5.417427 5.444391 3.036154 2.945514 2.323212 0.000000 6.057191 4.479796 4.930165 5.696716 6.393202 3.366935 3.284033 2.186849 2.218906 1.090973 4.205045 3.009353 3.723585 4.656071 3.037921 5.437942 3.747149 3.233077 4.479877 4.055892 6.471162 4.598772 2.390611 2.391080 2.923582 1.749185 0.000000 9.139955 3.369281 2.059145 3.315886 3.911101 2.191762 2.756122 2.858555 2.776563 2.832067 1.090667 3.465926 4.251586 3.050730 4.796825 2.637415 5.865312 5.298927 7.108865 6.646442 4.142461 7.430983 3.845976 3.853622 2.476739 2.530785 3.908995 0.000000 10.175499 2.623681 2.065886 2.787009 4.125622 2.156512 2.780613 3.525185 3.638358 4.021523 1.089497 4.215073 4.053968 2.549179 5.685496 3.143454 6.500157 6.498017 7.849831 7.849799 3.887499 8.431686 4.245957 4.626472 3.540847 4.074386 5.094678 1.771155 0.000000 6.521350 3.814792 2.606930 3.167613 3.250424 3.036701 4.274586 2.179330 4.067671 2.807090 3.032455 1.091823 5.178974 5.389978 2.133724 2.683316 3.393882 2.631084 4.555803 4.016377 3.444992 4.788043 3.034549 4.956253 4.391850 2.482998 3.353694 3.079865 4.095782 0.000000 6.524640 2.920673 2.866437 2.677291 3.660631 2.828366 4.259509 2.160795 4.575971 3.512073 3.332072 1.093285 4.756128 5.440904 2.139108 3.458474 2.723308 3.326953 4.076914 4.508173 3.168308 4.791918 2.497785 5.385237 5.177597 3.700513 3.988407 3.886437 4.210737 1.757502 0.000000 9.307961 3.805691 5.972209 6.406717 8.102120 3.502396 2.163787 3.957570 2.816629 3.886448 4.682111 5.466609 1.093688 2.667459 6.124244 7.111852 6.254986 6.982933 7.191185 7.838969 7.667237 7.919900 3.587415 2.476971 3.572952 4.844076 4.166581 4.895631 4.755853 6.083112 5.799971 0.000000 9.282009 2.454383 5.155097 5.250488 7.225163 2.806602 2.183617 3.570955 3.496781 4.177256 4.090470 4.885839 1.090406 2.745702 5.725946 6.435232 5.740091 6.842718 6.841680 7.799209 6.545226 7.785018 3.122548 3.654889 4.297120 5.108743 4.653290 4.684939 4.075954 5.600768 4.888244 1.775479 0.000000 7.736350 3.026006 5.317826 5.589835 7.262482 2.819705 2.208423 2.747560 2.767617 3.085468 4.308029 4.109482 1.091196 3.461128 4.580905 6.425600 4.545973 5.561540 5.487682 6.362641 6.760902 6.317067 2.038745 2.699053 3.815707 4.159312 3.220174 4.655370 4.700306 4.918989 4.405576 1.760790 1.764301 0.000000 10.722110 3.738507 4.046749 4.921825 6.122781 2.947171 2.205305 4.144984 2.788514 3.954067 2.650729 5.343791 3.462984 1.092952 6.589299 4.948920 7.360663 7.252749 8.582471 8.490578 6.040721 9.076768 4.696609 3.449562 2.407959 4.167595 4.897903 2.537605 2.219601 5.328181 5.661435 3.656550 3.788112 4.350604 0.000000 10.882010 2.928283 4.361879 4.773950 6.511620 2.843865 2.178581 4.268436 3.514763 4.580807 3.097807 5.510054 2.765066 1.093743 6.757068 5.556362 7.237460 7.697732 8.496623 8.896935 6.050062 9.239828 4.489605 4.034911 3.654286 5.098750 5.448607 3.561905 2.482663 5.778207 5.555144 3.072586 2.579619 3.788863 1.776071 0.000000 10.824249 4.100406 5.389601 6.073932 7.561442 3.548174 2.166082 4.580036 2.873842 4.327708 3.946718 6.024172 2.649397 1.093509 7.063263 6.433568 7.579475 7.805878 8.695041 8.895942 7.309585 9.286492 4.757812 2.998201 2.885683 4.886399 5.017221 3.971127 3.619891 6.277621 6.356785 2.367157 3.006478 3.660234 1.755531 1.766513 0.000000 8.800507 0.971224 2.504946 1.991930 4.163564 1.959104 3.279755 2.846108 4.395020 4.196641 2.454226 3.156397 3.728642 3.919695 4.464073 3.776281 4.806392 5.678717 6.184192 6.892033 3.240077 7.091966 3.055805 5.236667 4.921325 4.615524 5.000147 3.498514 2.676636 3.611919 2.572834 4.774341 3.393888 3.920512 4.284009 3.584986 4.904618 0.000000 9.257052 4.962140 2.135902 3.232134 2.148178 4.117279 5.162248 4.282633 5.035446 4.461006 2.875524 3.889672 6.546458 5.527691 5.070282 1.079311 6.332509 5.253277 7.489498 6.595275 3.152350 7.588394 5.344988 6.090907 4.717473 3.717001 5.345554 2.532336 3.495683 2.946825 4.141105 7.312993 6.884452 6.746344 4.925863 5.855339 6.482484 4.602917 0.000000 4.871710 4.183079 5.343957 5.084016 6.179156 4.307996 5.209068 3.208936 5.403926 4.308255 5.421941 2.723367 4.976442 6.644856 2.151998 5.996921 1.085402 3.384789 2.141493 3.868682 5.609511 3.380347 2.603520 5.784619 6.318987 4.887963 4.166213 5.907090 6.245576 3.737883 2.572666 5.890684 5.132948 4.146368 7.177813 6.800880 7.301386 4.224864 6.563056 0.000000 4.871186 5.881590 4.933227 5.549725 5.173176 4.961644 5.772226 3.629841 4.989157 3.469316 5.156952 2.743797 6.490380 7.040273 2.150705 4.699284 3.385594 1.084986 3.868298 2.141769 5.626562 3.378932 4.173981 5.548462 5.300364 2.982349 3.310114 4.860783 6.245024 2.403330 3.628349 7.207891 7.153811 5.963307 6.981884 7.654012 7.718702 5.850650 4.556170 4.286900 0.000000 2.864047 6.598869 7.591744 7.427463 8.163498 6.562076 7.229029 5.232849 7.076889 5.863204 7.670253 4.684681 6.846756 8.742464 3.416876 8.034729 2.157870 3.865934 1.082609 3.398866 7.769874 2.149270 4.609430 7.205358 7.997364 6.364164 5.296236 7.971078 8.570519 5.509335 4.796540 7.561522 7.149404 5.838099 9.282367 9.030565 9.254259 6.696901 8.450295 2.476019 4.950849 0.000000 2.864059 7.786664 7.308282 7.754164 7.432038 7.007453 7.642904 5.499805 6.762869 5.275145 7.484317 4.696420 8.013020 9.044706 3.416117 7.118840 3.865882 2.159549 3.399377 1.082594 7.783249 2.147816 5.646040 7.014158 7.216817 5.047833 4.650024 7.228470 8.569142 4.706933 5.436839 8.625026 8.713168 7.240585 9.129708 9.687770 9.584626 7.824890 7.006199 4.951238 2.475490 4.288293 0.000000 9.595149 4.699940 3.138287 2.104338 2.151611 5.048471 6.585635 5.349349 7.239789 6.545067 4.488081 4.487536 7.369125 7.087393 5.562145 3.137727 6.146603 6.380470 7.351651 7.552273 1.078981 7.969941 5.896588 8.253030 7.456674 6.381018 7.314325 5.194200 4.796434 4.249059 3.678558 8.411819 7.149152 7.423883 6.980384 6.813618 8.173709 3.758841 4.165778 5.875909 6.308385 7.966208 8.291906 0.000000 C17H22ClN3O 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 0 297.6543999999998 AuxInfo=1/0/N:13,14,17,18,19,20,10,9,12,11,21,16,15,8,22,7,6,1,5,4,3,2/E:(1,2)(3,4)(5,6)/CRV:3.3,4.3,5.3,6.3,11.3,12.3,13.3,15.3,19.2,20.2/rA:44ClONN2N2CCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;;s2;s6;s6;s7;s8s9;s3s6;s8;s7;s7;s12;s3s5;s15;s15;s17;s18;s4s5;s1s19s20;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s13;s14;s14;s14;s2;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3899740 0.1447314 0.1189873 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= 1064 RedAO= T EigKep= 1.23D-06 NBF= 1064 NBsUse= 1060 1.00D-06 EigRej= 9.59D-07 NBFU= 1060 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= 1174 1172 1173 1174 1174 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 1 1 -1361.05137546967 -1361.10919327789 -0.057817808218 -1361.10906149987 0.000131778012 -1361.10950714384 -0.000445643964 -1361.10953477313 -0.000027629292 -1361.10954067326 -0.000005900126 -1361.10954142915 -0.000000755888 -1361.10954147250 -0.000000043359 -1361.10954148295 -0.000000010442 -1361.10954148328 -0.000000000338 -1361.10954148363 -0.000000000351 -1361.10954148383 -0.000000000194 -1361.10954148 12 1.355735527603e+03 -7.130827134983e+03 2.442429763898e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2828264135 LenY= 2826832523 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. PT42851.100S Mon Jul 26 23:21:29 2021 GINC-DEPAZ12 PAULAPLA 26-Jul-2021 0 Single Point metconazole_trans CONF14 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1361.1095415 RMSD=5.305e-09 Dipole=-1.0791551,0.0061637,-0.891916 Quadrupole=-3.0052641,-5.6954907,8.7007547,-2.6790379,4.2178149,-2.1091019 PG=C01 [X(C17H22Cl1N3O1)] 0 4.6206904568 3.8460497145 1.087111376 0 -2.365076209 -1.3395024851 1.3323110646 0 -1.1352389487 -2.8073294087 -0.9467604922 0 -0.8502659058 -3.4459496528 0.2166354764 0 0.5501319095 -4.1345171872 -1.414268843 0 -2.1966297627 -0.7378701118 0.0569065045 0 -3.3716194846 0.2812864122 -0.2038652996 0 -0.9537647738 0.1943951417 -0.0031870283 0 -2.7867200604 1.2073655474 -1.3061382048 0 -1.2391778031 1.1316074464 -1.1898204572 0 -2.2263038268 -1.8382599631 -1.0321330188 0 0.4515127983 -0.4309840216 0.0031506747 0 -3.6579691878 1.0886700731 1.0804432925 0 -4.6909380195 -0.3777816154 -0.6337046903 0 1.5163473524 0.6095627076 0.2687108879 0 -0.2909299798 -3.2388956893 -1.9047659795 0 1.7189299593 1.1019714168 1.5629463272 0 2.2945327763 1.1360233698 -0.7651527803 0 2.664750714 2.0892619926 1.8235415901 0 3.2465137009 2.1259668012 -0.5262451427 0 0.1698675665 -4.2248800468 -0.1144206387 0 3.4210525058 2.5955735824 0.7703383706 0 -1.0236644798 0.7724562776 0.9214368341 0 -3.1599605266 2.2267743157 -1.1868218979 0 -3.1130610846 0.8757553526 -2.296364466 0 -0.8030060626 0.7182798645 -2.106203038 0 -0.7759925689 2.1087419987 -1.0452908639 0 -2.180603837 -1.4033909293 -2.0313097659 0 -3.1590939267 -2.3928740688 -0.9356502854 0 0.6624099538 -0.9193332358 -0.9503241002 0 0.4989435225 -1.2022839916 0.7765316897 0 -4.4586507648 1.8062377257 0.8800449786 0 -3.9722387297 0.4295922517 1.8902802297 0 -2.7911817649 1.6549170863 1.4250489386 0 -4.6247216499 -0.8677700251 -1.6084208355 0 -5.0149560235 -1.1148906308 0.1065356038 0 -5.4745476756 0.3807391882 -0.7134851537 0 -1.8211487479 -2.1432831002 1.3691244233 0 -0.3227509036 -2.8764029225 -2.9208854302 0 1.1295168889 0.7052438061 2.3834924007 0 2.1607046477 0.7681545519 -1.777060982 0 2.818064544 2.4605557875 2.8288662219 0 3.8462648114 2.5261301154 -1.3338206206 0 0.6461511437 -4.8738458051 0.6040479352