Gaussian 16 GINC-GALAPAGAR APULGAR Optimization Allethrin_RR CONF43 octanol EM64L-G16RevC.01 27-Jan-2025 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 48 48 82 82 640 (5D, 7F) 6-311+G(d,p) 138 138 C1[X(C19H26O3)] C1[X(C19H26O3)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq 276.20149999999984 0 1 AuxInfo=1/0/N:4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;2;3;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/rA:48nO0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.1334,.5947,-.2584;1.0975,.2629,-2.0909;-3.6726,-2.286,-.9599;3.2485,1.75,-.2938;3.5542,.2951,-.4026;2.1615,.7249,.0057;3.7474,2.518,.9061;3.1846,2.5844,-1.5493;4.4359,-.4031,.5693;1.0284,.5029,-.908;4.2407,-1.6377,1.04;-1.3332,.4049,-1.0131;5.2013,-2.2633,2.0046;3.0697,-2.4926,.6633;-1.6343,-1.0502,-1.3319;-2.4768,.8638,-.1519;-3.4429,-.0735,-.0389;-3.0251,-1.2771,-.7861;-2.4461,2.2314,.4187;-4.697,.0848,.6804;-5.6259,-.8508,.903;-6.8816,-.5967,1.661;3.6126,-.0733,-1.4246;1.9129,.6231,1.0563;3.1136,3.3862,1.0967;3.7611,1.915,1.8142;4.762,2.8843,.7347;2.8975,2.0137,-2.4299;2.4783,3.4097,-1.4372;4.1657,3.0193,-1.7514;5.3223,.1366,.8926;-1.2911,1.0171,-1.9192;5.6344,-3.1779,1.5907;6.0196,-1.5924,2.266;4.695,-2.5537,2.9291;2.4438,-2.6984,1.536;2.4383,-2.0483,-.1041;3.4068,-3.4641,.2931;-.9403,-1.7293,-.8302;-1.5974,-1.2765,-2.3975;-3.3921,2.5288,.8646;-2.189,2.9594,-.353;-1.6778,2.3108,1.1904;-4.8804,1.0769,1.0827;-5.4908,-1.8586,.5311;-7.759,-.8016,1.0426;-6.9569,-1.2617,2.5248;-6.9496,.4315,2.0167; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/apulgar/opt-b3lyp-pople.com-6710907/Gau-2521420.inp" -scrdir="/temporal/apulgar/opt-b3lyp-pople.com-6710907/" chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octa 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=1,70=32201,71=1,72=25,74=-5,124=31/1,2,3 4//1 5/5=2,38=5,53=25/2 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=1,70=32205,71=1,72=25,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5,53=25/2 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 Allethrin_RR CONF43 octanol 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 16 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 1 1 2 3 4 4 4 4 5 5 5 6 6 7 7 7 8 8 8 9 9 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 17 17 19 19 19 20 20 21 21 22 22 22 10 12 10 18 5 6 7 8 6 9 23 10 24 25 26 27 28 29 30 11 31 13 14 15 16 32 33 34 35 36 37 38 18 39 40 17 19 18 20 41 42 43 21 44 22 45 46 47 48 1.3343 1.4301 1.2089 1.2114 1.4907 1.5238 1.5094 1.5088 1.5137 1.4864 1.088 1.4725 1.0844 1.0917 1.0902 1.0923 1.0879 1.0921 1.092 1.3356 1.0869 1.4982 1.498 1.5197 1.5033 1.0943 1.0933 1.09 1.0933 1.0935 1.0885 1.0929 1.5112 1.0929 1.0899 1.3508 1.4822 1.477 1.4544 1.0872 1.0916 1.0918 1.337 1.0862 1.4887 1.0826 1.0928 1.0928 1.0901 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 A85 A86 A87 A88 10 5 5 6 6 7 4 4 6 6 9 4 4 5 5 10 4 4 4 25 25 26 4 4 4 28 28 29 5 5 11 1 1 2 9 9 13 1 1 1 15 15 16 11 11 11 33 33 34 11 11 11 36 36 37 12 12 12 18 18 39 12 12 17 16 16 18 3 3 15 16 16 16 41 41 42 17 17 21 20 20 22 21 21 21 46 46 47 1 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 19 19 19 20 20 20 21 21 21 22 22 22 22 22 22 12 7 8 7 8 8 9 23 9 23 23 10 24 10 24 24 25 26 27 26 27 27 28 29 30 29 30 30 11 31 31 2 6 6 13 14 14 15 16 32 16 32 32 33 34 35 34 35 35 36 37 38 37 38 38 18 39 40 39 40 40 17 19 19 18 20 20 15 17 17 41 42 43 42 43 43 21 44 44 22 45 45 46 47 48 47 48 48 117.6731 119.1285 119.1923 114.947 120.3574 113.2068 122.17 114.207 120.1868 113.5119 115.0439 121.8977 114.6566 119.8566 116.4594 114.244 110.5837 112.6419 110.6706 107.5541 107.4566 107.7266 113.2434 111.0934 109.6463 107.9922 107.2239 107.4039 125.3034 116.4181 118.2548 122.6727 110.95 126.3769 121.2773 123.584 115.1382 113.8284 107.1763 109.2943 105.1742 111.6906 109.4409 111.0747 112.2553 111.004 107.9535 106.3442 107.9579 110.7464 113.4406 110.5687 107.9031 106.2336 107.6309 104.4955 111.8902 113.4029 108.9816 110.6748 107.3561 112.3453 119.1093 128.5207 108.7091 125.6336 125.6496 124.4133 126.8759 108.7071 113.0971 110.37 110.7193 108.2027 107.6058 106.5832 127.2435 115.3555 117.3986 123.4576 120.5005 116.0415 110.9235 110.9012 112.3222 106.1328 108.1447 108.1656 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 12 12 10 10 10 7 7 8 8 7 7 8 8 5 5 5 6 6 6 8 8 8 5 5 5 6 6 6 7 7 7 9 9 23 23 4 4 6 6 23 23 4 4 5 5 24 24 5 5 31 31 9 9 9 14 14 14 9 9 9 13 13 13 1 1 1 16 16 16 32 32 32 1 1 15 15 32 32 12 12 39 39 40 40 12 12 19 19 12 12 12 17 17 17 16 16 20 20 16 16 18 18 17 17 44 44 20 20 20 45 45 45 1 1 1 1 1 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 9 9 9 9 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 16 17 17 17 17 17 17 17 17 20 20 20 20 21 21 21 21 21 21 10 10 12 12 12 5 5 5 5 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 6 6 6 6 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 18 18 18 18 18 18 17 17 17 17 19 19 19 19 19 19 18 18 18 18 20 20 20 20 21 21 21 21 22 22 22 22 22 22 2 6 15 16 32 9 23 9 23 10 24 10 24 25 26 27 25 26 27 25 26 27 28 29 30 28 29 30 28 29 30 10 24 10 24 11 31 11 31 11 31 1 2 1 2 1 2 13 14 13 14 33 34 35 33 34 35 36 37 38 36 37 38 18 39 40 18 39 40 18 39 40 17 19 17 19 17 19 3 17 3 17 3 17 18 20 18 20 41 42 43 41 42 43 3 15 3 15 21 44 21 44 22 45 22 45 46 47 48 46 47 48 -0.3358 179.889 76.934 -167.2161 -48.7061 -5.518 -151.7279 140.3828 -5.8271 141.3889 -3.4841 0.4829 -144.39 -154.3012 -33.9216 86.7404 -85.8245 34.5551 155.217 57.8739 178.2534 -61.0846 27.8284 149.5631 -91.8751 -42.8383 78.8964 -162.5417 175.6309 -62.6343 55.9275 -136.1954 8.3475 5.7237 150.2665 141.2535 -40.5556 68.5776 -113.2315 -72.7946 105.3963 -127.4049 52.8301 162.8801 -16.885 17.5998 -162.1653 179.0671 -1.1823 0.9064 -179.343 -119.7037 1.2689 122.197 60.5258 -178.5016 -57.5734 -116.1235 5.3787 126.3968 63.641 -174.8568 -53.8387 124.3937 6.6225 -114.9922 7.3756 -110.3955 127.9897 -111.2454 130.9834 9.3687 -127.3164 54.337 -5.8523 175.8011 114.2686 -64.078 172.5568 -6.7866 -67.6971 112.9596 50.1413 -129.202 1.5834 -177.4512 179.737 0.7024 169.2022 47.8292 -69.9421 -8.8431 -130.2161 112.0126 -175.8952 3.4276 3.1392 -177.538 -174.2495 5.1769 6.8758 -173.6978 179.6222 -0.1316 0.206 -179.5477 120.7089 -121.6169 -0.4485 -59.5272 58.147 179.3154 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 0.10000e-02 0.10000e-05 F 662 A 640 A 1000 662 1779.9460132218 48 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 640 RedAO= T EigKep= 1.10D-06 NBF= 640 NBsUse= 638 1.00D-06 EigRej= 6.51D-07 NBFU= 638 Berny optimization. local minimum Step number 19 out of a maximum of 259 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00037 0.00090 0.00247 0.00513 0.00646 0.00787 0.00815 0.00914 0.00978 0.01022 0.01191 0.01264 0.01347 0.01391 0.01749 0.01749 0.01766 0.02041 0.02064 0.02165 0.02412 0.02434 0.02764 0.02904 0.02925 0.03026 0.04330 0.04490 0.04618 0.04864 0.05269 0.05568 0.05609 0.05652 0.05844 0.05908 0.06132 0.06937 0.07075 0.07102 0.07137 0.07355 0.07416 0.07432 0.07573 0.07617 0.08345 0.09724 0.09831 0.10275 0.12399 0.14118 0.14880 0.15946 0.15983 0.15990 0.15996 0.15998 0.16000 0.16000 0.16000 0.16000 0.16001 0.16002 0.16003 0.16007 0.16008 0.16013 0.16035 0.16043 0.16059 0.16072 0.16122 0.16615 0.18461 0.18990 0.21716 0.21984 0.22030 0.22245 0.23508 0.24629 0.24871 0.24958 0.25007 0.25095 0.25187 0.25423 0.26544 0.27314 0.28578 0.29562 0.30185 0.31227 0.31436 0.31535 0.32230 0.32567 0.32882 0.33698 0.33950 0.34366 0.34402 0.34421 0.34437 0.34461 0.34472 0.34492 0.34510 0.34536 0.34565 0.34591 0.34597 0.34611 0.34622 0.34648 0.34759 0.34809 0.34812 0.34842 0.34968 0.35043 0.35086 0.35152 0.35171 0.35268 0.35443 0.35513 0.35944 0.37930 0.39092 0.42762 0.54060 0.57086 0.58362 0.60631 0.98409 1.03599 -3.37441058e-08 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 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 2.56051 2.74978 2.30172 2.31048 2.83026 2.91139 2.86748 2.86465 2.90086 2.81817 2.05515 2.77993 2.04574 2.06845 2.06366 2.06995 2.05966 2.06955 2.06957 2.53349 2.05569 2.84563 2.84563 2.88310 2.85015 2.06519 2.07274 2.06504 2.07282 2.07266 2.06120 2.07260 2.86939 2.06650 2.06169 2.57085 2.81082 2.80463 2.75666 2.05889 2.07108 2.07049 2.53704 2.05571 2.82688 2.04959 2.07259 2.07258 2.06644 2.04250 2.08100 2.07689 2.00431 2.09207 1.98015 2.15376 1.98769 2.09834 1.94914 2.01348 2.13835 2.00954 2.07583 2.03738 1.99211 1.92386 1.96188 1.92342 1.88546 1.88163 1.88522 1.96158 1.93253 1.90980 1.88973 1.88704 1.88086 2.17898 2.03437 2.06953 2.13714 1.93450 2.21147 2.12332 2.15180 2.00806 1.97519 1.87347 1.88320 1.84082 1.96047 1.92890 1.93234 1.95725 1.93208 1.88955 1.85843 1.89074 1.92536 1.97548 1.92576 1.88811 1.85732 1.88744 1.82159 1.93756 1.98683 1.90270 1.92977 1.88412 1.95798 2.07524 2.24975 1.89623 2.19646 2.19044 2.16594 2.21797 1.89923 1.97420 1.91906 1.91691 1.89845 1.89308 1.85833 2.21195 2.01495 2.05626 2.16313 2.08666 2.03340 1.93192 1.93195 1.95756 1.85493 1.89203 1.89189 0.01468 -3.11465 1.36222 -2.89722 -0.81809 -0.09026 -2.68315 2.46258 -0.13031 2.49200 -0.06674 0.03990 -2.51884 -2.71060 -0.60610 1.49779 -1.50746 0.59704 2.70093 0.98895 3.09345 -1.08584 0.53466 2.65052 -1.56196 -0.70252 1.41335 -2.79914 3.11972 -1.04760 1.02310 -2.33353 0.16737 0.10845 2.60935 2.61581 -0.55294 1.33604 -1.83271 -1.08178 2.03266 -2.34066 0.81384 2.74001 -0.38867 0.22331 -2.90536 3.11165 -0.03257 -0.00228 3.13668 -2.10883 0.00369 2.11752 1.03519 -3.13548 -1.02164 -2.13430 -0.01604 2.10164 1.00482 3.12308 -1.04243 2.16552 0.11814 -2.01207 0.12249 -1.92489 2.22808 -1.97980 2.25601 0.12580 -2.20987 0.95162 -0.09909 3.06240 2.02378 -1.09791 3.02142 -0.11075 -1.19049 1.96052 0.87815 -2.25403 0.02921 -3.10127 -3.13477 0.01795 3.01901 0.89288 -1.14652 -0.09891 -2.22504 2.01874 -3.07789 0.05393 0.05263 -3.09874 -3.10097 0.03439 0.05357 -3.09426 3.13828 -0.00221 0.00305 -3.13743 2.11528 -2.11576 -0.00032 -1.02739 1.02476 3.14019 0.00001 0.00001 -0.00003 -0.00000 -0.00001 0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -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 0.00001 -0.00000 -0.00002 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -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 -0.00001 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00006 0.00002 0.00002 0.00002 -0.00001 -0.00000 0.00002 -0.00002 0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00001 0.00000 0.00000 0.00001 0.00001 0.00001 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00001 -0.00002 0.00001 0.00006 -0.00008 0.00002 0.00001 -0.00002 -0.00002 0.00001 0.00002 -0.00003 0.00004 0.00001 0.00002 -0.00003 -0.00001 -0.00001 -0.00001 0.00002 0.00001 0.00000 -0.00002 -0.00000 -0.00000 -0.00000 0.00002 0.00001 0.00001 -0.00002 0.00001 0.00003 -0.00000 -0.00003 0.00001 -0.00000 -0.00001 -0.00001 0.00004 0.00004 -0.00000 -0.00004 -0.00003 -0.00000 -0.00001 -0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00002 -0.00000 0.00002 0.00001 0.00000 -0.00000 -0.00002 -0.00000 -0.00003 0.00004 0.00002 -0.00000 0.00000 -0.00000 -0.00000 -0.00002 0.00002 -0.00002 0.00000 0.00001 -0.00001 -0.00000 -0.00002 0.00002 0.00001 0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00001 -0.00001 -0.00001 -0.00000 0.00001 0.00001 0.00001 0.00007 -0.00009 -0.00022 -0.00020 -0.00019 0.00011 0.00010 0.00013 0.00012 0.00001 0.00006 -0.00000 0.00004 0.00004 0.00005 0.00004 0.00005 0.00006 0.00005 0.00003 0.00003 0.00002 -0.00008 -0.00009 -0.00008 -0.00004 -0.00006 -0.00005 -0.00007 -0.00009 -0.00008 -0.00003 -0.00003 -0.00001 -0.00002 -0.00014 -0.00016 -0.00013 -0.00014 -0.00014 -0.00015 0.00018 0.00001 0.00016 -0.00000 0.00015 -0.00001 -0.00002 0.00005 -0.00001 0.00007 -0.00006 -0.00005 -0.00006 -0.00012 -0.00012 -0.00012 -0.00023 -0.00023 -0.00024 -0.00016 -0.00016 -0.00017 0.00005 0.00009 0.00009 0.00001 0.00005 0.00005 0.00006 0.00011 0.00010 -0.00016 -0.00011 -0.00015 -0.00010 -0.00021 -0.00016 -0.00044 0.00012 -0.00048 0.00008 -0.00045 0.00011 0.00023 0.00018 0.00017 0.00012 -0.00020 -0.00022 -0.00021 -0.00014 -0.00016 -0.00015 0.00037 -0.00022 0.00042 -0.00017 -0.00006 -0.00005 -0.00012 -0.00011 -0.00000 -0.00000 -0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00003 -0.00000 -0.00001 -0.00000 -0.00002 -0.00000 -0.00000 -0.00001 0.00000 -0.00001 0.00000 -0.00001 -0.00000 -0.00000 -0.00002 -0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00001 -0.00002 0.00000 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00002 0.00000 -0.00001 0.00001 0.00000 -0.00005 0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00001 -0.00001 -0.00001 0.00004 0.00004 -0.00004 -0.00004 0.00003 0.00001 -0.00007 -0.00000 -0.00000 0.00003 0.00003 0.00002 -0.00003 0.00003 0.00000 -0.00001 0.00002 -0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00002 -0.00001 0.00001 0.00001 -0.00002 -0.00001 0.00006 -0.00003 -0.00003 -0.00003 -0.00001 0.00003 -0.00002 0.00003 -0.00001 0.00007 0.00001 -0.00000 -0.00002 -0.00001 -0.00005 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00003 0.00001 -0.00002 0.00001 -0.00001 -0.00002 -0.00002 -0.00004 0.00005 -0.00001 0.00001 0.00001 0.00000 0.00001 -0.00001 -0.00001 -0.00001 0.00002 0.00001 0.00000 -0.00000 0.00001 0.00002 -0.00001 -0.00001 -0.00001 -0.00000 0.00002 -0.00000 -0.00001 -0.00000 0.00001 -0.00000 0.00001 0.00001 0.00000 -0.00001 -0.00001 -0.00001 0.00008 0.00024 -0.00006 -0.00004 -0.00010 -0.00009 -0.00002 -0.00007 -0.00001 -0.00009 -0.00005 -0.00008 -0.00004 -0.00008 -0.00009 -0.00008 -0.00008 -0.00009 -0.00009 -0.00008 -0.00009 -0.00008 -0.00021 -0.00019 -0.00021 -0.00021 -0.00019 -0.00020 -0.00018 -0.00017 -0.00018 -0.00007 -0.00004 0.00003 0.00006 -0.00032 -0.00030 -0.00029 -0.00028 -0.00039 -0.00038 0.00022 0.00039 0.00021 0.00038 0.00018 0.00035 0.00011 0.00009 0.00010 0.00008 -0.00005 -0.00005 -0.00005 -0.00003 -0.00003 -0.00003 0.00001 0.00005 0.00002 -0.00001 0.00003 -0.00000 0.00040 0.00044 0.00042 0.00037 0.00041 0.00039 0.00045 0.00049 0.00047 -0.00020 -0.00027 -0.00013 -0.00019 -0.00017 -0.00024 0.00036 -0.00049 0.00030 -0.00056 0.00031 -0.00054 -0.00019 -0.00012 -0.00011 -0.00004 -0.00016 -0.00016 -0.00017 -0.00024 -0.00025 -0.00026 -0.00045 0.00043 -0.00052 0.00036 -0.00017 -0.00016 -0.00009 -0.00008 0.00004 0.00002 0.00002 0.00001 -0.00003 -0.00003 -0.00003 -0.00002 -0.00002 -0.00002 -0.00000 -0.00006 -0.00000 0.00002 0.00001 -0.00001 -0.00002 0.00002 -0.00002 -0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00001 0.00002 -0.00001 0.00001 -0.00001 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00002 0.00000 -0.00001 0.00000 0.00000 -0.00004 0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00000 0.00004 0.00002 -0.00003 0.00002 -0.00005 0.00002 -0.00006 -0.00002 -0.00002 0.00004 0.00005 -0.00001 0.00001 0.00005 0.00002 -0.00004 0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00001 0.00001 0.00000 -0.00000 0.00007 -0.00005 -0.00002 0.00000 -0.00001 0.00000 -0.00001 0.00003 -0.00002 0.00006 0.00005 0.00003 -0.00003 -0.00004 -0.00008 0.00000 -0.00001 -0.00001 0.00001 0.00001 0.00000 0.00002 -0.00000 -0.00002 0.00002 0.00000 -0.00002 -0.00003 -0.00007 0.00005 -0.00003 0.00005 0.00003 -0.00000 0.00001 -0.00001 -0.00001 -0.00003 0.00004 -0.00002 0.00001 0.00001 -0.00001 0.00002 -0.00003 0.00001 -0.00000 0.00000 0.00002 -0.00001 -0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00015 0.00015 -0.00028 -0.00024 -0.00029 0.00002 0.00008 0.00005 0.00011 -0.00008 0.00001 -0.00009 0.00000 -0.00004 -0.00004 -0.00004 -0.00003 -0.00004 -0.00004 -0.00005 -0.00006 -0.00006 -0.00028 -0.00028 -0.00029 -0.00024 -0.00024 -0.00025 -0.00025 -0.00025 -0.00026 -0.00010 -0.00007 0.00002 0.00004 -0.00046 -0.00046 -0.00042 -0.00042 -0.00053 -0.00054 0.00040 0.00041 0.00037 0.00037 0.00033 0.00033 0.00009 0.00014 0.00009 0.00014 -0.00011 -0.00010 -0.00011 -0.00015 -0.00015 -0.00016 -0.00022 -0.00018 -0.00022 -0.00017 -0.00013 -0.00017 0.00045 0.00054 0.00052 0.00037 0.00046 0.00044 0.00051 0.00060 0.00057 -0.00035 -0.00037 -0.00027 -0.00029 -0.00038 -0.00040 -0.00008 -0.00037 -0.00019 -0.00047 -0.00014 -0.00043 0.00004 0.00006 0.00006 0.00008 -0.00036 -0.00038 -0.00038 -0.00038 -0.00041 -0.00041 -0.00009 0.00021 -0.00010 0.00020 -0.00023 -0.00021 -0.00021 -0.00019 0.00004 0.00002 0.00002 -0.00000 -0.00003 -0.00003 -0.00003 -0.00002 -0.00001 -0.00002 2.56051 2.74972 2.30171 2.31049 2.83027 2.91138 2.86746 2.86467 2.90084 2.81817 2.05515 2.77993 2.04574 2.06844 2.06366 2.06995 2.05965 2.06954 2.06957 2.53349 2.05570 2.84563 2.84565 2.88312 2.85014 2.06520 2.07274 2.06503 2.07281 2.07265 2.06119 2.07260 2.86937 2.06651 2.06168 2.57086 2.81082 2.80459 2.75667 2.05888 2.07106 2.07049 2.53704 2.05571 2.82688 2.04958 2.07259 2.07257 2.06643 2.04254 2.08102 2.07686 2.00433 2.09202 1.98017 2.15369 1.98767 2.09832 1.94918 2.01353 2.13834 2.00955 2.07588 2.03739 1.99206 1.92386 1.96187 1.92342 1.88546 1.88162 1.88523 1.96158 1.93252 1.90980 1.88974 1.88704 1.88086 2.17904 2.03432 2.06952 2.13715 1.93449 2.21147 2.12331 2.15183 2.00804 1.97524 1.87353 1.88323 1.84079 1.96043 1.92882 1.93235 1.95725 1.93206 1.88956 1.85844 1.89074 1.92538 1.97548 1.92574 1.88813 1.85732 1.88742 1.82156 1.93749 1.98688 1.90267 1.92981 1.88415 1.95798 2.07525 2.24974 1.89622 2.19643 2.19048 2.16593 2.21798 1.89924 1.97419 1.91908 1.91689 1.89847 1.89308 1.85833 2.21197 2.01494 2.05626 2.16312 2.08666 2.03340 1.93192 1.93195 1.95756 1.85493 1.89203 1.89188 0.01482 -3.11449 1.36194 -2.89746 -0.81838 -0.09024 -2.68307 2.46263 -0.13020 2.49192 -0.06673 0.03981 -2.51884 -2.71064 -0.60614 1.49775 -1.50750 0.59700 2.70089 0.98890 3.09340 -1.08590 0.53438 2.65024 -1.56225 -0.70276 1.41310 -2.79939 3.11947 -1.04786 1.02284 -2.33362 0.16730 0.10847 2.60939 2.61535 -0.55340 1.33562 -1.83313 -1.08231 2.03212 -2.34026 0.81425 2.74038 -0.38830 0.22364 -2.90503 3.11174 -0.03243 -0.00219 3.13682 -2.10894 0.00359 2.11741 1.03504 -3.13562 -1.02180 -2.13452 -0.01622 2.10142 1.00465 3.12294 -1.04260 2.16597 0.11868 -2.01156 0.12287 -1.92443 2.22852 -1.97929 2.25660 0.12637 -2.21023 0.95124 -0.09936 3.06211 2.02340 -1.09832 3.02134 -0.11112 -1.19068 1.96004 0.87801 -2.25446 0.02925 -3.10121 -3.13470 0.01803 3.01865 0.89250 -1.14691 -0.09929 -2.22544 2.01833 -3.07797 0.05414 0.05253 -3.09854 -3.10120 0.03418 0.05336 -3.09445 3.13832 -0.00219 0.00307 -3.13743 2.11524 -2.11579 -0.00036 -1.02741 1.02474 3.14018 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000030 0.000003 0.001719 0.000448 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.553539e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 1 1 2 3 4 4 4 4 5 5 5 6 6 7 7 7 8 8 8 9 9 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 17 17 19 19 19 20 20 21 21 22 22 22 10 12 10 18 5 6 7 8 6 9 23 10 24 25 26 27 28 29 30 11 31 13 14 15 16 32 33 34 35 36 37 38 18 39 40 17 19 18 20 41 42 43 21 44 22 45 46 47 48 1.355 1.4551 1.218 1.2227 1.4977 1.5406 1.5174 1.5159 1.5351 1.4913 1.0875 1.4711 1.0826 1.0946 1.092 1.0954 1.0899 1.0952 1.0952 1.3407 1.0878 1.5058 1.5058 1.5257 1.5082 1.0929 1.0968 1.0928 1.0969 1.0968 1.0907 1.0968 1.5184 1.0935 1.091 1.3604 1.4874 1.4841 1.4588 1.0895 1.096 1.0957 1.3425 1.0878 1.4959 1.0846 1.0968 1.0968 1.0935 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 A85 A86 A87 A88 10 5 5 6 6 7 4 4 6 6 9 4 4 5 5 10 4 4 4 25 25 26 4 4 4 28 28 29 5 5 11 1 1 2 9 9 13 1 1 1 15 15 16 11 11 11 33 33 34 11 11 11 36 36 37 12 12 12 18 18 39 12 12 17 16 16 18 3 3 15 16 16 16 41 41 42 17 17 21 20 20 22 21 21 21 46 46 47 1 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 19 19 19 20 20 20 21 21 21 22 22 22 22 22 22 12 7 8 7 8 8 9 23 9 23 23 10 24 10 24 24 25 26 27 26 27 27 28 29 30 29 30 30 11 31 31 2 6 6 13 14 14 15 16 32 16 32 32 33 34 35 34 35 35 36 37 38 37 38 38 18 39 40 39 40 40 17 19 19 18 20 20 15 17 17 41 42 43 42 43 43 21 44 44 22 45 45 46 47 48 47 48 48 117.0266 119.2323 118.9971 114.8383 119.867 113.4541 123.4012 113.8863 120.2262 111.6775 115.3639 122.5184 115.1383 118.9365 116.733 114.1393 110.2288 112.4077 110.2038 108.029 107.8092 108.0153 112.3905 110.7259 109.4233 108.2738 108.1194 107.7654 124.8461 116.5607 118.5756 122.4493 110.8387 126.7078 121.6575 123.289 115.0533 113.1698 107.3422 107.8993 105.4712 112.3269 110.5178 110.7151 112.1424 110.6998 108.2635 106.4804 108.3312 110.3152 113.1868 110.3382 108.1806 106.4167 108.1423 104.3693 111.0139 113.837 109.017 110.5675 107.9519 112.1842 118.9027 128.9013 108.646 125.8477 125.5029 124.0994 127.0802 108.8179 113.1133 109.954 109.8309 108.7734 108.4655 106.4743 126.7356 115.4483 117.8152 123.938 119.5569 116.5051 110.6909 110.6927 112.1601 106.2797 108.4053 108.397 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 12 12 10 10 10 7 7 8 8 7 7 8 8 5 5 5 6 6 6 8 8 8 5 5 5 6 6 6 7 7 7 9 9 23 23 4 4 6 6 23 23 4 4 5 5 24 24 5 5 31 31 9 9 9 14 14 14 9 9 9 13 13 13 1 1 1 16 16 16 32 32 32 1 1 15 15 32 32 12 12 39 39 40 40 12 12 19 19 12 12 12 17 17 17 16 16 20 20 16 16 18 18 17 17 44 44 20 20 20 45 45 1 1 1 1 1 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 9 9 9 9 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 16 17 17 17 17 17 17 17 17 20 20 20 20 21 21 21 21 21 10 10 12 12 12 5 5 5 5 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 6 6 6 6 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 18 18 18 18 18 18 17 17 17 17 19 19 19 19 19 19 18 18 18 18 20 20 20 20 21 21 21 21 22 22 22 22 22 2 6 15 16 32 9 23 9 23 10 24 10 24 25 26 27 25 26 27 25 26 27 28 29 30 28 29 30 28 29 30 10 24 10 24 11 31 11 31 11 31 1 2 1 2 1 2 13 14 13 14 33 34 35 33 34 35 36 37 38 36 37 38 18 39 40 18 39 40 18 39 40 17 19 17 19 17 19 3 17 3 17 3 17 18 20 18 20 41 42 43 41 42 43 3 15 3 15 21 44 21 44 22 45 22 45 46 47 48 46 47 0.8409 -178.4562 78.0493 -165.9984 -46.8729 -5.1717 -153.7329 141.0953 -7.466 142.7809 -3.8239 2.286 -144.3188 -155.3058 -34.727 85.8171 -86.3713 34.2076 154.7516 56.6628 177.2417 -62.2143 30.6338 151.8639 -89.4936 -40.2513 80.9788 -160.3786 178.7468 -60.0231 58.6194 -133.7013 9.5896 6.2137 149.5046 149.8749 -31.6811 76.5494 -105.0067 -61.9813 116.4626 -134.1102 46.6298 156.9908 -22.2693 12.795 -166.465 178.2845 -1.8663 -0.1306 179.7186 -120.8271 0.2111 121.3252 59.3121 -179.6497 -58.5356 -122.2862 -0.9192 120.415 57.5721 178.9391 -59.7267 124.0753 6.769 -115.2832 7.0183 -110.288 127.6598 -113.4339 129.2598 7.2076 -126.6163 54.5236 -5.6773 175.4626 115.9543 -62.9058 173.1147 -6.3457 -68.2102 112.3294 50.3141 -129.1463 1.6735 -177.6894 -179.6089 1.0283 172.9763 51.1585 -65.6909 -5.6673 -127.4852 115.6654 -176.35 3.0899 3.0156 -177.5445 -177.6722 1.9702 3.0693 -177.2882 179.8101 -0.1266 0.175 -179.7616 121.1963 -121.2241 -0.0186 -58.8653 58.7143 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0477431598 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 276.20149999999984 AuxInfo=1/0/N:4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;2;3;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/rA:48nO0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.1334,.5947,-.2584;1.0975,.2629,-2.0909;-3.6726,-2.286,-.9599;3.2485,1.75,-.2938;3.5542,.2951,-.4026;2.1615,.7249,.0057;3.7474,2.518,.906;3.1846,2.5844,-1.5493;4.4359,-.4031,.5693;1.0284,.5029,-.908;4.2407,-1.6377,1.04;-1.3332,.4049,-1.0131;5.2013,-2.2633,2.0046;3.0697,-2.4926,.6633;-1.6343,-1.0502,-1.3319;-2.4768,.8638,-.1519;-3.4429,-.0735,-.0389;-3.0251,-1.2771,-.7861;-2.4461,2.2314,.4187;-4.697,.0848,.6804;-5.6259,-.8508,.903;-6.8816,-.5967,1.661;3.6126,-.0733,-1.4246;1.9129,.6231,1.0563;3.1136,3.3862,1.0968;3.7611,1.915,1.8143;4.762,2.8843,.7347;2.8975,2.0137,-2.4299;2.4783,3.4097,-1.4372;4.1657,3.0193,-1.7514;5.3223,.1366,.8926;-1.2911,1.0171,-1.9192;5.6344,-3.1779,1.5907;6.0196,-1.5924,2.266;4.695,-2.5537,2.9291;2.4437,-2.6985,1.536;2.4383,-2.0483,-.1041;3.4068,-3.4641,.2931;-.9403,-1.7293,-.8302;-1.5974,-1.2765,-2.3975;-3.3921,2.5288,.8646;-2.189,2.9594,-.353;-1.6778,2.3108,1.1904;-4.8804,1.0769,1.0827;-5.4908,-1.8586,.5311;-7.759,-.8016,1.0426;-6.9569,-1.2617,2.5248;-6.9496,.4315,2.0167; 0.000000 2.232350 0.000000 4.616910 5.525374 0.000000 3.573964 3.172921 8.039498 0.000000 3.702634 2.981086 7.694124 1.490654 0.000000 2.313758 2.396098 6.635868 1.523773 1.513669 0.000000 4.485056 4.592247 9.034135 1.509436 2.586688 2.557440 0.000000 4.078574 3.168383 8.431423 1.508820 2.587002 2.631029 2.519883 0.000000 4.749729 4.320322 8.463568 2.605943 1.486415 2.600626 3.019968 3.870348 0.000000 1.334280 1.208929 5.466213 2.619405 2.584295 1.472483 3.839850 3.064841 3.822924 0.000000 5.079607 4.826419 8.187795 3.773609 2.507589 3.312850 4.186991 5.064202 1.335637 4.323869 0.000000 1.430101 2.662749 3.565961 4.828937 4.926682 3.654271 5.827616 5.044653 6.036586 2.365986 6.281419 0.000000 6.461308 6.324198 9.355974 5.020256 3.879785 4.708038 5.116783 6.340169 2.471080 5.792084 1.498175 7.676319 0.000000 4.543206 4.366651 6.937995 4.352873 3.023584 3.407316 5.061999 5.539379 2.498284 3.950790 1.497997 5.530953 2.528886 0.000000 2.471951 3.124556 2.412536 5.723610 5.440059 4.398680 6.833921 6.039774 6.393838 3.111497 6.362929 1.519658 7.702549 5.309336 0.000000 2.361131 4.110495 3.464634 5.795147 6.062941 4.643025 6.526541 6.079817 7.064756 3.603895 7.266524 1.503319 8.566315 6.533979 2.401105 0.000000 3.383336 4.993898 2.407517 6.940023 7.016241 5.661138 7.701186 7.298558 7.909126 4.591267 7.915043 2.372468 9.148359 6.982726 2.428341 1.350772 0.000000 3.484728 4.590166 1.211378 6.983006 6.775395 5.615646 7.945535 7.352084 7.633321 4.428707 7.500403 2.396394 8.742622 6.381562 1.511193 2.299101 1.476961 0.000000 2.913024 4.767635 4.879677 5.759129 6.358295 4.865182 6.219248 5.975151 7.370614 4.101236 7.750431 2.573875 9.011108 7.266339 3.806870 1.482198 2.552511 3.754426 0.000000 4.686923 6.425587 3.059522 8.176304 8.324643 6.921256 8.790813 8.563807 9.146622 5.956324 9.109239 3.779613 10.258780 8.183168 3.836387 2.495786 1.454395 2.607796 3.121325 0.000000 5.796964 7.443603 3.056996 9.324689 9.342996 7.995686 9.960231 9.769246 10.077279 7.027876 9.898820 4.865680 10.974312 8.852412 4.578989 3.737555 2.501344 3.130280 4.454787 1.337049 0.000000 7.116256 8.859004 4.474444 10.580467 10.675220 9.287864 11.101634 11.034197 11.371725 8.389091 11.188149 6.240083 12.202117 10.179286 6.057860 4.982188 3.871463 4.617792 5.405070 2.489682 1.488661 0.000000 3.979878 2.623500 7.628002 2.176183 1.087990 2.188357 3.487822 2.694860 2.182274 2.697633 2.986009 4.985943 4.368005 3.241477 5.337893 6.291168 7.190307 6.776127 6.739285 8.573567 9.558868 10.950988 0.000000 2.432449 3.270998 6.612524 2.208280 2.220326 1.084405 2.641690 3.500458 2.766929 2.157657 3.244974 3.855871 4.477035 3.346612 4.591958 4.559288 5.510813 5.602546 4.689815 6.642415 7.683021 8.899264 3.086916 0.000000 4.491305 4.896968 9.080464 2.151498 3.463646 3.029650 1.091715 2.765753 4.047891 4.084179 5.149055 5.754457 6.090931 5.894861 6.936971 6.258874 7.499712 7.935577 5.718683 8.489809 9.714262 10.774263 4.309797 3.012954 0.000000 4.605064 5.007421 8.977977 2.175777 2.753403 2.691797 1.090220 3.477622 2.716429 4.107644 3.667586 6.018887 4.423674 4.607561 6.913832 6.624356 7.699711 7.937455 6.370029 8.727796 9.828288 10.936148 3.803389 2.378955 1.760219 0.000000 5.494913 5.318297 10.037230 2.152996 3.075086 3.457871 1.092260 2.791922 3.307687 4.723325 4.562189 6.808419 5.320131 5.637380 7.788689 7.567603 8.755973 8.959256 7.244532 9.864716 11.040249 12.188067 3.838134 3.651577 1.760765 1.762598 0.000000 3.989522 2.533889 7.988451 2.180760 2.737748 2.852224 3.479259 1.087928 4.147691 2.844777 5.213237 4.742919 6.577670 5.468544 5.579486 5.949375 7.090460 6.972013 6.059441 8.430427 9.589700 10.917049 2.424433 3.880398 3.790479 4.332278 3.774794 0.000000 4.016850 3.498068 8.396546 2.157571 3.453837 3.064347 2.810060 1.092056 4.732444 3.291204 5.892287 4.872019 7.172444 6.292776 6.067524 5.717188 7.010564 7.257863 5.392810 8.186799 9.450151 10.642243 3.663127 3.781870 2.612442 3.801507 3.195068 1.763559 0.000000 5.156574 4.138430 9.497933 2.139387 3.100722 3.516841 2.736483 1.092021 4.143858 4.109293 5.430039 6.133368 6.564004 6.116608 7.097602 7.164265 8.389757 8.431913 7.003282 9.647369 10.858059 12.114544 3.158615 4.324367 3.058357 3.754598 2.560192 1.754899 1.760253 0.000000 5.594558 5.173507 9.497773 2.882902 2.197350 3.335115 2.855047 4.064967 1.086888 4.670496 2.083192 6.928141 2.647825 3.469764 7.399344 7.902181 8.816978 8.630993 8.059786 10.021610 10.992549 12.249991 2.887236 3.447761 3.934410 2.539573 2.808677 4.521266 4.922300 4.078979 0.000000 2.068045 2.510737 4.183515 4.877143 5.128219 3.963710 5.968322 4.756590 6.403786 2.582023 6.812151 1.094280 8.264864 6.164689 2.176242 2.133654 3.058585 3.090872 2.876504 4.384875 5.499415 6.831956 5.047792 4.390272 5.840334 6.345832 6.868028 4.335783 4.490589 5.814933 7.239992 0.000000 7.135769 6.780560 9.691296 5.790322 4.512382 5.459414 6.039211 7.004629 3.190421 6.403652 2.148900 8.256145 1.093290 2.812017 8.118061 9.228364 9.730860 9.178712 9.794299 10.872493 11.518751 12.779590 4.776802 5.346222 7.048753 5.431076 6.184147 7.113980 7.907292 7.192458 3.401545 8.824923 0.000000 7.001122 6.830182 10.238443 5.040204 4.094144 5.036269 4.889558 6.327696 2.607916 6.275097 2.160913 8.294936 1.089989 3.475746 8.474734 9.168824 9.856861 9.550943 9.471118 10.962289 11.748362 12.953686 4.660673 4.820424 5.882041 4.196062 4.895670 6.693554 7.160716 6.390980 2.315649 8.818808 1.765790 0.000000 6.586836 6.787888 9.231069 5.567921 4.529592 5.070957 5.541921 6.981251 3.203274 6.124576 2.148051 7.786800 1.093330 2.789119 7.776709 8.520936 9.010298 8.662105 8.955161 10.011373 10.654818 11.809138 5.126296 4.619454 6.414101 4.699438 5.864483 7.267195 7.716276 7.296983 3.432041 8.490574 1.750257 1.765872 0.000000 4.550414 4.871938 6.618839 4.876912 3.735289 3.760455 5.413622 6.162485 3.189338 4.269044 2.144793 5.513086 2.830709 1.093467 5.250918 6.304750 6.634970 6.109031 7.032940 7.711575 8.302584 9.560083 4.125855 3.397690 6.137102 4.805928 6.097833 6.175690 6.793412 6.816479 4.091126 6.300169 3.226942 3.813509 2.651405 0.000000 3.690954 3.329689 6.175101 3.888393 2.612674 2.789227 4.856450 4.909982 2.674093 3.023707 2.173979 4.590104 3.482343 1.088524 4.369213 5.713186 6.204223 5.559535 6.515111 7.488515 8.214541 9.596002 2.650217 2.959534 5.606390 4.597591 5.516712 4.703312 5.618641 5.601641 3.752918 5.157492 3.789875 4.318647 3.814217 1.764185 0.000000 5.413953 4.990621 7.285310 5.249375 3.825831 4.379646 6.022995 6.326758 3.241125 4.778717 2.142170 6.256429 2.755199 1.092931 5.820686 7.317423 7.650117 6.878716 8.167653 8.855271 9.422843 10.767747 3.806591 4.418014 6.903437 5.601246 6.506420 6.138469 7.148775 6.840310 4.122274 6.858940 2.593816 3.771212 3.071924 1.748813 1.760698 0.000000 2.525604 3.116191 2.791431 5.471620 4.947913 4.042670 6.559571 6.011618 5.711521 2.977276 5.508994 2.177686 6.785318 4.346655 1.092934 3.089421 3.103311 2.133693 4.417443 4.436822 5.072461 6.541239 4.881071 4.151299 6.805480 6.509780 7.500028 5.594494 6.201956 7.033377 6.757893 2.975089 7.154457 7.618761 6.824152 4.241463 3.470466 4.813406 0.000000 3.196890 3.118720 2.718810 6.088305 5.743622 4.889848 7.340164 6.204316 6.779840 3.504196 6.784591 2.193856 8.159329 5.712219 1.089910 3.224316 3.227327 2.152823 4.577765 4.575327 5.225141 6.697433 5.434978 5.278198 7.492875 7.525829 8.219801 5.570592 6.284430 7.216954 7.791225 2.362811 8.474692 8.936832 8.342580 5.815935 4.705602 6.088290 1.758722 0.000000 3.952277 5.833141 5.156489 6.785643 7.405820 5.901995 7.139574 7.005874 8.364264 5.175609 8.697660 3.503673 9.905022 8.185891 4.552289 2.154845 2.755118 4.164583 1.087240 2.776644 4.051289 4.751808 7.815198 5.640152 6.565989 7.241990 8.162853 7.118877 6.366717 8.012708 9.036737 3.801147 10.703747 10.369542 9.772140 7.863295 7.475385 9.081052 5.197530 5.323679 0.000000 3.134718 4.592716 5.484833 5.570692 6.331378 4.903950 6.084505 5.517937 7.486501 4.085898 8.025927 2.773793 9.351588 7.642738 4.164462 2.124845 3.296861 4.339828 1.091630 3.952361 5.282706 6.222717 6.633654 4.926538 5.513761 6.418103 7.036040 5.575064 4.812700 6.507040 8.120298 2.651778 10.131659 9.744745 9.410477 7.552643 6.822888 8.543544 4.875518 4.740513 1.765008 0.000000 2.725655 4.760597 5.452834 5.175475 5.828809 4.319577 5.436589 5.587812 6.717825 3.872413 7.116324 2.933764 8.301061 6.774155 4.202404 2.129345 3.211147 4.312113 1.091838 3.785571 5.066115 5.979501 6.364847 3.969862 4.911460 5.488872 6.481346 5.842001 5.038328 6.580462 7.335995 3.390097 9.151742 8.697249 8.203637 6.496110 6.133526 7.746469 4.576998 5.074222 1.758497 1.750461 0.000000 4.956320 6.816918 4.115842 8.272052 8.600063 7.132512 8.749125 8.616534 9.447173 6.261534 9.516614 4.174560 10.660586 8.724772 4.570824 2.710608 2.155920 3.532123 2.774824 1.086165 2.074620 2.672074 8.929847 6.808549 8.320876 8.712861 9.816549 8.585655 8.120503 9.676637 10.247697 4.679558 11.354434 11.284327 10.405756 8.252425 8.046085 9.482743 5.201770 5.331792 2.090641 3.584513 3.433796 0.000000 5.945019 7.401459 2.389923 9.490900 9.344686 8.093746 10.229326 9.966481 10.032979 7.081492 9.747323 4.979294 10.800752 8.584981 4.358587 4.118508 2.775869 2.855358 5.100043 2.104552 1.082622 2.191640 9.480774 7.826220 10.092701 10.073961 11.298537 9.701922 9.753742 11.056729 11.001551 5.648957 11.253193 11.643470 10.487370 8.041937 7.956790 9.044461 4.751533 4.906493 4.874911 5.907305 5.688360 3.048573 0.000000 7.860796 9.454669 4.786692 11.378131 11.457820 10.090729 11.976485 11.745055 12.210672 9.095363 12.028820 6.853677 13.077909 10.966512 6.573650 5.665945 4.508789 5.097122 6.149443 3.208299 2.138319 1.092846 11.659026 9.776331 11.651358 11.861258 13.055946 11.556296 11.344060 12.829848 13.115756 7.342630 13.613643 13.855410 12.717378 10.389328 10.337059 11.503321 7.131830 7.072828 5.494898 6.864271 6.833049 3.437571 2.554114 0.000000 7.599463 9.407586 4.896853 11.007452 11.021656 9.666316 11.466804 11.586218 11.591279 8.869203 11.301840 6.849837 12.210432 10.271917 6.576437 5.635079 4.509190 5.140198 6.081481 3.212796 2.137977 1.092761 11.345717 9.185974 11.182838 11.201414 12.558914 11.506006 11.249086 12.661929 12.465822 7.552693 12.770468 12.983252 11.730260 9.561063 9.787710 10.827607 6.904643 7.276873 5.461876 6.987997 6.512462 3.443899 2.545706 1.747027 0.000000 7.187710 9.036448 5.194589 10.539356 10.779740 9.335041 10.955052 10.956908 11.507517 8.497527 11.421856 6.381589 12.446158 10.524664 6.454575 4.989624 4.096072 5.116335 5.106360 2.642015 2.153386 1.090077 11.120216 8.916492 10.528268 10.814892 12.034222 10.919851 10.473045 12.018549 12.326797 6.917589 13.098361 13.128555 12.055767 9.912783 9.938833 11.198304 6.991826 7.144776 4.287461 5.888054 5.657455 2.360185 3.095064 1.767641 1.767806 0.000000 C19H26O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 276.20149999999984 AuxInfo=1/0/N:4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;2;3;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/rA:48nO0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.1376,-.6406,.0575;1.073,-.8216,1.9243;-3.8236,1.7097,1.5425;3.3003,-1.5819,-.2038;3.5292,-.2158,.3472;2.1612,-.5698,-.1956;3.8396,-1.9223,-1.5719;3.2795,-2.761,.7374;4.3736,.7881,-.3517;1.0174,-.6932,.7235;4.1142,2.0961,-.428;-1.3462,-.7496,.8142;5.0412,3.0327,-1.1407;2.8996,2.7362,.1712;-1.7235,.5224,1.5551;-2.4635,-.9809,-.1647;-3.4774,-.103,-.0035;-3.1239,.8351,1.081;-2.3607,-2.1065,-1.1234;-4.721,-.0971,-.7576;-5.6976,.8144,-.7006;-6.9377,.7409,-1.5208;3.5675,-.1737,1.4336;1.9083,-.1654,-1.1695;3.2524,-2.7217,-2.028;3.8223,-1.0716,-2.2534;4.872,-2.2724,-1.5031;2.9623,-2.5006,1.7449;2.6175,-3.5471,.368;4.2819,-3.1874,.814;5.2873,.4173,-.8089;-1.2726,-1.6057,1.4918;5.4255,3.7982,-.4612;5.8938,2.5148,-1.58;4.521,3.5651,-1.9414;2.2643,3.1665,-.6078;2.2919,2.0486,.7566;3.185,3.5644,.8248;-1.0658,1.3557,1.2952;-1.6993,.4151,2.6395;-3.2894,-2.3008,-1.6543;-2.0663,-3.0212,-.6054;-1.5888,-1.9089,-1.8699;-4.8518,-.9275,-1.4454;-5.6159,1.6665,-.0378;-7.8251,.7039,-.8841;-7.0472,1.6327,-2.1427;-6.9514,-.1323,-2.1733; 0.4775811 0.1192307 0.1087998 -19.17540 -19.11761 -19.11622 -10.30694 -10.26378 -10.24162 -10.20460 -10.19392 -10.18701 -10.18306 -10.17892 -10.17461 -10.17428 -10.17392 -10.17095 -10.16840 -10.15837 -10.15711 -10.15573 -10.15455 -10.15428 -10.15359 -1.12526 -1.05545 -1.03334 -0.88995 -0.87490 -0.80865 -0.80388 -0.76433 -0.75006 -0.73436 -0.70994 -0.69144 -0.68890 -0.68161 -0.67279 -0.63084 -0.58554 -0.57696 -0.55857 -0.55347 -0.52677 -0.52383 -0.50382 -0.49839 -0.48850 -0.47203 -0.46221 -0.46091 -0.45294 -0.44673 -0.43682 -0.43019 -0.42750 -0.42370 -0.42012 -0.41060 -0.40883 -0.40307 -0.39859 -0.39794 -0.39548 -0.38472 -0.38039 -0.37759 -0.37558 -0.36743 -0.36546 -0.36250 -0.35705 -0.35145 -0.34477 -0.33464 -0.32082 -0.31515 -0.30116 -0.28918 -0.28043 -0.25868 -0.23543 -0.23427 -0.05983 -0.01527 -0.01176 0.00429 0.01271 0.01399 0.01761 0.02136 0.02592 0.03107 0.03560 0.04055 0.04406 0.04541 0.04800 0.05194 0.05475 0.05706 0.06081 0.06123 0.06623 0.06856 0.07165 0.07362 0.07721 0.08075 0.08226 0.08845 0.09111 0.09223 0.09359 0.09907 0.10351 0.10618 0.10722 0.11078 0.11202 0.11575 0.12130 0.12454 0.12852 0.13076 0.13616 0.13841 0.13880 0.14342 0.14708 0.15086 0.15283 0.15624 0.16066 0.16221 0.16487 0.16810 0.17132 0.17333 0.17596 0.17724 0.18072 0.18719 0.18967 0.19031 0.19375 0.19527 0.19791 0.20024 0.20574 0.20766 0.20870 0.21327 0.21374 0.21653 0.21726 0.22165 0.22361 0.22791 0.22959 0.23040 0.23148 0.23556 0.23795 0.24141 0.24209 0.24580 0.24754 0.25283 0.25345 0.25843 0.26268 0.26473 0.26709 0.26969 0.27016 0.27156 0.27464 0.27636 0.28124 0.28621 0.28941 0.29192 0.29353 0.29791 0.30030 0.30436 0.30779 0.30925 0.31164 0.31429 0.31604 0.32203 0.32449 0.32695 0.33061 0.33505 0.33780 0.34606 0.34862 0.34964 0.36544 0.36865 0.37258 0.37751 0.38424 0.39023 0.39229 0.39513 0.39838 0.40405 0.40673 0.41183 0.42028 0.42176 0.42992 0.43571 0.43706 0.44964 0.45512 0.46062 0.46413 0.46719 0.46828 0.47751 0.48667 0.49229 0.49328 0.50434 0.51778 0.52389 0.53173 0.53417 0.54000 0.54272 0.54555 0.55249 0.55830 0.56920 0.57487 0.58146 0.58540 0.58724 0.59191 0.59869 0.60159 0.60312 0.61112 0.61695 0.62153 0.62436 0.62574 0.63063 0.63809 0.64022 0.64474 0.65025 0.65162 0.65898 0.66182 0.66363 0.66633 0.67134 0.67292 0.67749 0.68009 0.68597 0.69295 0.69336 0.70293 0.70693 0.70814 0.71159 0.71711 0.71851 0.72300 0.72770 0.73134 0.73589 0.73952 0.74495 0.74594 0.75083 0.75709 0.75826 0.76755 0.76796 0.77584 0.78199 0.78884 0.79782 0.80530 0.80803 0.81439 0.81895 0.82566 0.83561 0.85663 0.86557 0.87343 0.88122 0.89001 0.90107 0.90439 0.91326 0.92322 0.93581 0.93922 0.94283 0.95350 0.96559 0.96947 0.97538 0.98620 0.99342 1.00719 1.00931 1.03167 1.04183 1.05039 1.05614 1.07611 1.08918 1.09528 1.10134 1.10872 1.11512 1.12564 1.13939 1.14090 1.14817 1.16741 1.18254 1.19597 1.20945 1.22017 1.22265 1.23786 1.25757 1.26986 1.27869 1.28875 1.31121 1.32583 1.33322 1.33587 1.35154 1.35674 1.36240 1.37931 1.38877 1.40062 1.40498 1.41522 1.42393 1.43557 1.44421 1.44646 1.45284 1.45854 1.46812 1.47140 1.47765 1.48249 1.48609 1.48920 1.49888 1.50002 1.51176 1.51711 1.52225 1.52773 1.53584 1.54184 1.55360 1.55777 1.56912 1.57347 1.57587 1.58173 1.58480 1.58958 1.59263 1.60173 1.61118 1.62063 1.63276 1.63718 1.64756 1.64970 1.65725 1.66229 1.66649 1.67450 1.68173 1.69099 1.69800 1.70288 1.70802 1.71327 1.71706 1.72810 1.72908 1.73642 1.74686 1.74743 1.75234 1.76363 1.77391 1.77907 1.78192 1.79189 1.79404 1.80848 1.80952 1.81362 1.81891 1.82794 1.84461 1.84835 1.85634 1.86655 1.87465 1.88570 1.89446 1.89906 1.91861 1.93191 1.93748 1.95153 1.96694 1.96899 1.97384 1.97718 1.99916 2.00925 2.02744 2.03598 2.04742 2.05609 2.06479 2.07142 2.07545 2.08529 2.09257 2.10412 2.10848 2.12079 2.12549 2.13821 2.14413 2.16000 2.17586 2.17695 2.18283 2.18840 2.19317 2.20145 2.21310 2.23802 2.25165 2.26213 2.27867 2.28053 2.29800 2.31463 2.33045 2.34088 2.36411 2.37185 2.38069 2.39453 2.40316 2.41044 2.41807 2.43479 2.44568 2.45154 2.46090 2.46812 2.47623 2.48755 2.49196 2.50117 2.51239 2.51997 2.52390 2.52768 2.53225 2.53273 2.54092 2.54479 2.55013 2.56071 2.57419 2.57499 2.58533 2.58913 2.58981 2.59047 2.60495 2.60943 2.61336 2.61843 2.63991 2.65545 2.65798 2.66375 2.67371 2.68154 2.68950 2.71139 2.71390 2.72061 2.72285 2.73920 2.75631 2.76140 2.77476 2.78238 2.79248 2.80202 2.80942 2.81723 2.82713 2.83770 2.86141 2.87111 2.88405 2.88793 2.90023 2.90787 2.91683 2.92149 2.92965 2.94801 2.95187 2.97225 2.97476 2.99000 2.99513 3.00180 3.00422 3.01111 3.02793 3.05049 3.07140 3.08698 3.09787 3.11154 3.14303 3.14738 3.15839 3.16095 3.17716 3.19841 3.21481 3.23419 3.25311 3.25790 3.27655 3.28888 3.29983 3.32113 3.34679 3.36667 3.38538 3.39689 3.47886 3.49886 3.57742 3.58672 3.61231 3.65274 3.69032 3.69476 3.69987 3.71521 3.77734 3.77902 3.80222 3.80368 3.81364 3.83092 3.83253 3.84638 3.84764 3.85138 3.85530 3.85547 3.86519 3.87461 3.89289 3.96229 4.06003 4.09323 4.15683 4.20064 4.24345 4.29623 4.29985 4.33409 4.33739 4.36377 4.53420 4.56696 4.59861 4.62902 5.07098 5.10114 5.13937 5.23160 5.30496 5.43136 5.70111 5.74888 5.92178 23.64111 23.71315 23.82115 23.83864 23.85611 23.89644 23.90673 23.91322 23.94296 23.96002 23.97975 23.98480 23.99890 24.00575 24.01090 24.01672 24.18868 24.26599 24.28948 49.94126 50.03203 50.03866 1-A. 2.1036 -3.1427 -4.8981 6.1882 -131.1343 -129.8056 -141.3980 13.6492 7.0226 -1.5206 2.9783 4.3070 -7.2854 13.6492 7.0226 -1.5206 5.3771 -12.6003 -10.7046 27.0592 -38.7255 -78.8805 -1.4366 -7.5768 -14.2699 18.7648 -10566.2628 -2220.0974 -1093.3091 18.6897 267.2951 78.8189 -13.8531 4.6369 2.9592 -2188.3670 -2057.1569 -568.5930 -77.4048 51.1744 53.9626 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 276.20149999999984 AuxInfo=1/0/N:4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;2;3;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/rA:48nO0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.1401,.6821,-.206;1.1008,.3806,-2.066;-3.5952,-2.3571,-.8194;3.3314,1.802,-.3145;3.5556,.3216,-.3468;2.1684,.8549,.0375;3.8723,2.6081,.8517;3.3099,2.5707,-1.6209;4.3851,-.4053,.657;1.0375,.6186,-.8732;4.1857,-1.6742,1.0411;-1.35,.433,-.975;5.0924,-2.3509,2.0347;3.0549,-2.5254,.5268;-1.5973,-1.0486,-1.2419;-2.5175,.8913,-.1373;-3.4574,-.0812,.0096;-2.9871,-1.3047,-.6865;-2.5256,2.2845,.3837;-4.7245,.0556,.7193;-5.6444,-.9031,.9123;-6.9253,-.6939,1.6561;3.5599,-.1014,-1.3487;1.9065,.8187,1.0873;3.2931,3.5284,.9767;3.8354,2.0552,1.7927;4.9141,2.8907,.6655;2.9391,1.969,-2.4506;2.6805,3.4628,-1.5354;4.3251,2.9003,-1.8662;5.2246,.141,1.0814;-1.2879,1.0163,-1.8972;5.5521,-3.2443,1.5948;5.8909,-1.6899,2.3805;4.524,-2.6918,2.9088;2.4374,-2.8822,1.3601;2.4072,-2,-.1762;3.4475,-3.4192,.0269;-.8776,-1.6699,-.7016;-1.5503,-1.3203,-2.2975;-3.4622,2.5535,.8709;-2.3375,2.9904,-.4333;-1.7097,2.4171,1.1028;-4.9248,1.0418,1.1323;-5.4717,-1.8978,.516;-7.7866,-.917,1.0148;-6.9932,-1.3776,2.5109;-7.0256,.3307,2.0248; 0.000000 2.256217 0.000000 4.642269 5.576863 0.000000 3.649236 3.172324 8.095073 0.000000 3.715853 2.997472 7.650591 1.497710 0.000000 2.327693 2.406172 6.653552 1.540639 1.535067 0.000000 4.574649 4.599599 9.121904 1.517405 2.601027 2.576838 0.000000 4.179862 3.142432 8.520909 1.515910 2.596600 2.645302 2.536053 0.000000 4.733287 4.338045 8.347079 2.631781 1.491310 2.623992 3.062916 3.898873 0.000000 1.354966 1.218016 5.506313 2.640896 2.589539 1.471077 3.869038 3.087660 3.820422 0.000000 5.081249 4.836540 8.029271 3.827707 2.511202 3.387104 4.297930 5.086447 1.340665 4.339540 0.000000 1.455122 2.683217 3.584648 4.921960 4.946881 3.685422 5.944783 5.167371 6.021399 2.396905 6.256867 0.000000 6.449706 6.341131 9.144395 5.085983 3.895618 4.776577 5.242180 6.384626 2.486781 5.806519 1.505844 7.636319 0.000000 4.586160 4.357260 6.787085 4.417081 3.019734 3.528649 5.208317 5.536030 2.506207 3.989251 1.505845 5.514611 2.540785 0.000000 2.488380 3.162554 2.425299 5.768714 5.406525 4.409160 6.904460 6.109340 6.309391 3.139727 6.248661 1.525671 7.562020 5.191551 0.000000 2.387576 4.131951 3.489768 5.921982 6.103302 4.689267 6.689907 6.243407 7.068027 3.640606 7.273377 1.508236 8.552161 6.570092 2.414558 0.000000 3.410819 5.029812 2.426051 7.052576 7.033535 5.703184 7.852757 7.449014 7.875781 4.633936 7.875097 2.382241 9.074728 6.975043 2.441739 1.360437 0.000000 3.504837 4.631901 1.222653 7.050763 6.750295 5.636231 8.045353 7.452815 7.547367 4.464480 7.387103 2.404804 8.589385 6.282358 1.518415 2.311831 1.484146 0.000000 2.933559 4.772472 4.912767 5.918087 6.431691 4.919007 6.423103 6.176811 7.420649 4.129219 7.819418 2.579876 9.068944 7.368630 3.822770 1.487423 2.569964 3.773656 0.000000 4.718676 6.465175 3.076334 8.307606 8.352679 6.972514 8.968742 8.738120 9.121454 6.004523 9.082231 3.794810 10.192801 8.198669 3.852929 2.510619 1.458760 2.616354 3.148978 0.000000 5.836159 7.484392 3.051556 9.454454 9.366106 8.055736 10.143925 9.932966 10.045027 7.081760 9.861060 4.877381 10.891909 8.857655 4.586998 3.754853 2.504634 3.127073 4.490771 1.342544 0.000000 7.169383 8.912213 4.470338 10.738353 10.718740 9.365555 11.319822 11.231920 11.358081 8.457338 11.171068 6.267109 12.137291 10.209538 6.075507 5.015764 3.887495 4.622804 5.463275 2.506530 1.495919 0.000000 3.950868 2.606473 7.520837 2.178292 1.087537 2.184603 3.504476 2.697561 2.190032 2.665843 2.928523 4.952995 4.342445 3.106137 5.244523 6.275921 7.147542 6.689488 6.762104 8.540060 9.511732 10.923319 0.000000 2.424780 3.283979 6.632410 2.227669 2.241302 1.082559 2.668751 3.517643 2.797618 2.153729 3.378030 3.873817 4.592818 3.579900 4.603070 4.590871 5.544532 5.621562 4.720850 6.684883 7.746613 8.978380 3.084583 0.000000 4.613763 4.896236 9.236514 2.156200 3.479199 3.048749 1.094575 2.768585 4.094970 4.120284 5.279024 5.911755 6.238913 6.075180 7.056015 6.477495 7.715786 8.097285 5.979586 8.741211 9.975989 11.077211 4.319115 3.045957 0.000000 4.656639 5.017145 9.027968 2.181378 2.767895 2.701869 1.092044 3.492066 2.765071 4.122930 3.820408 6.097526 4.588263 4.815895 6.953867 6.740796 7.805626 7.998837 6.519167 8.855656 9.969560 11.107133 3.820378 2.397346 1.769337 0.000000 5.584045 5.319997 10.106979 2.156482 3.077438 3.475269 1.095370 2.811249 3.338123 4.749453 4.637819 6.926024 5.420425 5.727921 7.845635 7.737564 8.907493 9.047512 7.469604 10.047052 11.222045 12.409723 3.852714 3.676538 1.769557 1.769828 0.000000 4.021901 2.459726 8.004543 2.178220 2.742275 2.833051 3.490659 1.089925 4.169566 2.815653 5.197929 4.788837 6.589158 5.392389 5.580864 6.023875 7.153406 6.996368 6.164002 8.511202 9.655780 11.011916 2.426155 3.860894 3.781990 4.337774 3.802603 0.000000 4.177907 3.503833 8.588777 2.161575 3.470731 3.088302 2.801659 1.095157 4.761748 3.350716 5.940725 5.073270 7.236210 6.344368 6.224003 5.965386 7.253981 7.454589 5.672189 8.457330 9.713646 10.942304 3.675853 3.803832 2.586543 3.793613 3.187504 1.770835 0.000000 5.254955 4.096932 9.563826 2.145123 3.090440 3.529810 2.770867 1.095171 4.158989 4.123169 5.421967 6.252077 6.586501 6.064485 7.145535 7.337996 8.542563 8.517169 7.236895 9.832246 11.026169 12.324625 3.140671 4.348163 3.088991 3.787060 2.599316 1.769120 1.769373 0.000000 5.543444 5.193194 9.361729 2.879564 2.204125 3.307510 2.822787 4.107551 1.087826 4.645418 2.091868 6.894888 2.671344 3.482053 7.304192 7.873224 8.750685 8.523344 8.071298 9.956064 10.920296 12.192091 2.955637 3.386619 3.900821 2.469747 2.798211 4.586979 4.935044 4.136615 0.000000 2.071040 2.477644 4.226625 4.945700 5.132774 3.964228 6.059546 4.861348 6.381777 2.571847 6.769889 1.092852 8.216192 6.105637 2.188334 2.150474 3.089814 3.120868 2.888290 4.424814 5.527721 6.879697 5.005094 4.376076 5.962835 6.398628 6.967425 4.368255 4.675931 5.920849 7.214611 0.000000 7.145654 6.808456 9.502023 5.834599 4.524523 5.538754 6.133922 7.013012 3.209602 6.433811 2.153861 8.231996 1.096849 2.809517 7.998857 9.231538 9.679276 9.048987 9.863200 10.828893 11.458975 12.735556 4.744569 5.482334 7.166275 5.574101 6.237671 7.097301 7.939119 7.158248 3.439653 8.782468 0.000000 6.977711 6.855872 10.033434 5.099760 4.115565 5.081540 4.988452 6.389459 2.624531 6.282531 2.168445 8.258116 1.092770 3.489551 8.343001 9.148868 9.777432 9.400693 9.519387 10.885433 11.654874 12.875204 4.675904 4.882679 5.995836 4.312269 4.987663 6.740937 7.224343 6.446426 2.341729 8.783870 1.774396 0.000000 6.545119 6.775414 8.940489 5.657435 4.540610 5.135351 5.722384 7.048836 3.212177 6.116954 2.153698 7.704044 1.096887 2.803510 7.576165 8.467545 8.883816 8.441940 8.990864 9.893284 10.515744 11.689629 5.076022 4.742642 6.628712 4.924794 6.028990 7.277238 7.812078 7.356099 3.443100 8.403860 1.757514 1.775183 0.000000 4.669064 4.916324 6.435699 5.054226 3.798371 3.973291 5.697441 6.275465 3.228425 4.382047 2.148809 5.548681 2.790375 1.096804 5.139176 6.405630 6.664648 6.008511 7.230402 7.767529 8.332621 9.619615 4.041056 3.748670 6.478829 5.149636 6.319969 6.189272 6.978649 6.885465 4.121363 6.299634 3.144439 3.793307 2.605467 0.000000 3.699079 3.308363 6.047318 3.915169 2.595643 2.872797 4.943467 4.877846 2.673805 3.036229 2.179606 4.546911 3.495922 1.090743 4.251702 5.710823 6.173292 5.462818 6.557603 7.475890 8.198533 9.599951 2.511585 3.129208 5.716419 4.728672 5.559782 4.605319 5.635971 5.526984 3.755409 5.070840 3.817715 4.332290 3.804768 1.771791 0.000000 5.453959 4.932117 7.172422 5.233693 3.760950 4.461399 6.098342 6.213985 3.218689 4.787675 2.149075 6.233748 2.806816 1.096773 5.716598 7.361254 7.669383 6.810570 8.266583 8.907033 9.475042 10.847870 3.593457 4.632359 7.013983 5.765165 6.509472 5.952303 7.098694 6.655143 4.116475 6.767535 2.630231 3.807905 3.161146 1.756657 1.771337 0.000000 2.514216 3.159146 2.805609 5.469847 4.872827 4.024750 6.578406 6.030162 5.580371 2.988999 5.354748 2.172573 6.602417 4.207790 1.093547 3.093065 3.112046 2.140921 4.419297 4.449144 5.090648 6.563988 4.750780 4.140507 6.872653 6.504563 7.497373 5.555867 6.300722 7.022171 6.610221 2.968661 7.006654 7.437189 6.576940 4.087722 3.342903 4.722001 0.000000 3.220698 3.158372 2.727815 6.124723 5.707086 4.900272 7.399669 6.262585 6.692909 3.533418 6.646227 2.205296 7.997223 5.535047 1.091001 3.239300 3.239613 2.158663 4.597201 4.590169 5.219011 6.701761 5.338529 5.289743 7.595346 7.558391 8.264376 5.567605 6.431068 7.247097 7.710504 2.385127 8.324396 8.797234 8.116836 5.631961 4.541346 5.897978 1.766798 0.000000 3.962087 5.845357 5.195004 6.937025 7.464125 5.939958 7.334709 7.216016 8.389233 5.199340 8.740215 3.516390 9.929153 8.269563 4.573481 2.161432 2.771894 4.187687 1.089517 2.802836 4.087958 4.811949 7.828443 5.646125 6.826068 7.372426 8.385568 7.235356 6.659519 8.261596 9.017993 3.840910 10.742237 10.380956 9.769592 8.036844 7.502011 9.172169 5.195117 5.357261 0.000000 3.195101 4.615103 5.506886 5.793349 6.469841 5.008546 6.352917 5.786217 7.610040 4.148502 8.153770 2.794399 9.477585 7.773285 4.185119 2.127488 3.299247 4.351297 1.095966 3.954648 5.282514 6.243949 6.721359 5.004025 5.829360 6.628345 7.335074 5.740682 5.159263 6.815573 8.221870 2.672380 10.258220 9.875681 9.515128 7.778399 6.890760 8.646459 4.890925 4.762042 1.776727 0.000000 2.680842 4.699800 5.481143 5.272504 5.849411 4.314486 5.590871 5.713023 6.731302 3.832296 7.176163 2.895415 8.358857 6.889218 4.185893 2.125705 3.239020 4.322675 1.095655 3.848805 5.151886 6.098129 6.334136 3.953692 5.126237 5.599520 6.655042 5.868448 5.227510 6.742936 7.298284 3.337688 9.221017 8.733145 8.259611 6.734023 6.172148 7.862349 4.544402 5.055301 1.773048 1.755751 0.000000 4.981425 6.853878 4.138796 8.416440 8.638524 7.179663 8.939898 8.816422 9.433689 6.304860 9.507165 4.194175 10.614600 8.761747 4.591238 2.725815 2.162205 3.545310 2.803804 1.087836 2.085374 2.699767 8.913651 6.835097 8.587294 8.843343 10.022010 8.691303 8.415375 9.899841 10.189454 4.733471 11.329223 11.224951 10.313888 8.345812 8.045116 9.550840 5.205444 5.360116 2.119623 3.597549 3.497098 0.000000 5.966865 7.419981 2.348506 9.585019 9.336030 8.134934 10.379133 10.082205 9.970123 7.115628 9.674201 4.964306 10.682297 8.549688 4.338462 4.115005 2.759319 2.823295 5.117494 2.101272 1.084596 2.205054 9.395396 7.883069 10.318795 10.192044 11.437488 9.720830 9.970049 11.165759 10.903529 5.640846 11.158004 11.516395 10.308712 8.014710 7.909915 9.061209 4.758174 4.860689 4.896726 5.883750 5.754635 3.052920 0.000000 7.906806 9.495402 4.796515 11.522608 11.490596 10.158609 12.181292 11.926645 12.187719 9.153618 11.996253 6.871129 12.998678 10.971086 6.589243 5.688704 4.522327 5.106910 6.190858 3.226422 2.144776 1.096768 11.618736 9.847536 11.938309 12.021249 13.263808 11.635279 11.629540 13.021769 13.054345 7.379061 13.552683 13.767231 12.581292 10.416947 10.320184 11.551740 7.158761 7.072894 5.546675 6.859831 6.932068 3.469952 2.563175 0.000000 7.654364 9.463253 4.857689 11.166451 11.060293 9.748645 11.691769 11.781988 11.569232 8.940331 11.278965 6.875748 12.134036 10.306252 6.580862 5.673883 4.520953 5.126190 6.155945 3.226582 2.144791 1.096760 11.308971 9.276520 11.499123 11.382334 12.783058 11.595991 11.549088 12.867151 12.394493 7.596844 12.716465 12.888484 11.598740 9.618976 9.796715 10.924564 6.914211 7.262863 5.532698 7.030138 6.655674 3.468725 2.562321 1.755046 0.000000 7.246366 9.098110 5.203942 10.719289 10.843656 9.420862 11.194906 11.186190 11.515856 8.572901 11.431479 6.420381 12.411109 10.583826 6.483811 5.031070 4.118547 5.131753 5.173056 2.659846 2.160458 1.093511 11.118398 8.994327 10.853478 10.999448 12.286419 11.045701 10.802385 12.271114 12.287878 6.983708 13.082947 13.078348 11.971187 10.015617 9.962614 11.302121 7.016612 7.168419 4.355419 5.923990 5.784615 2.390633 3.107617 1.776517 1.776418 0.000000 C19H26O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 276.20149999999984 AuxInfo=1/0/N:4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;2;3;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/rA:48nO0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.1325,-.7059,.0009;1.1022,-.907,1.8786;-3.7686,1.7782,1.4704;3.4039,-1.5844,-.1968;3.5338,-.1729,.2869;2.1801,-.6503,-.2573;3.9852,-1.9615,-1.5467;3.4422,-2.7139,.8135;4.307,.8757,-.4387;1.0442,-.7742,.6692;4.0241,2.1861,-.4207;-1.3494,-.7795,.7954;4.8777,3.1889,-1.1511;2.8459,2.7673,.3152;-1.6881,.532,1.4976;-2.4923,-1.0337,-.1552;-3.4933,-.1239,-.0101;-3.096,.8568,1.0306;-2.4162,-2.1999,-1.0754;-4.7551,-.118,-.7421;-5.7356,.794,-.6448;-7.0068,.7406,-1.4315;3.5195,-.0755,1.37;1.9077,-.313,-1.2492;3.4646,-2.8348,-1.9523;3.9053,-1.1519,-2.2752;5.0443,-2.221,-1.4434;3.0408,-2.4179,1.7826;2.87,-3.5755,.4535;4.4783,-3.0378,.9585;5.176,.5386,-.9996;-1.2427,-1.6105,1.4971;5.2834,3.9332,-.4549;5.7136,2.7162,-1.6724;4.2815,3.7431,-1.8864;2.2001,3.3211,-.3771;2.2388,2.0132,.8175;3.185,3.4896,1.0677;-1.0139,1.3323,1.1801;-1.6497,.472,2.5862;-3.3379,-2.3664,-1.632;-2.1769,-3.1076,-.5098;-1.5996,-2.0557,-1.7915;-4.8958,-.9423,-1.4379;-5.6232,1.6297,.0373;-7.8752,.7032,-.7627;-7.1251,1.6464,-2.0386;-7.0448,-.1273,-2.0956; 0.4665240 0.1191082 0.1074024 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= 652 651 652 652 652 MxSgAt= 48 MxSgA2= 48. 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= 640 RedAO= T EigKep= 1.14D-06 NBF= 640 NBsUse= 638 1.00D-06 EigRej= 6.95D-07 NBFU= 638 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= 653 652 652 653 653 MxSgAt= 48 MxSgA2= 48. 1 8.27628331e-01 -1.23645259e+00 -1.92706655e+00 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.002617748 0.003145395 0.012149974 0.001365200 -0.002420948 -0.015441293 -0.009171965 -0.015100644 -0.002895785 0.002947540 0.006028683 -0.001226235 0.006648460 -0.004319480 -0.002985423 -0.008125977 -0.002829736 0.003957232 0.001094863 0.001970982 0.003816052 -0.000187433 0.001796964 -0.003649339 0.002098937 0.001166487 -0.000387662 0.010920743 0.001313099 0.006542664 0.000537149 -0.000849839 0.000601175 -0.008614943 0.000390065 -0.005109171 0.002459006 -0.001046522 0.002163493 -0.003130707 -0.001228221 -0.001908847 0.002925301 -0.003364038 -0.003559873 0.002374587 0.005416608 0.000000177 -0.004912466 -0.002248342 0.001959732 0.005541430 0.009300419 0.002078389 -0.001454050 0.002672422 0.001382408 0.001708610 0.002586015 -0.000223367 -0.001736418 -0.003084158 0.000065426 -0.002413347 0.000554174 0.001439223 -0.001516407 0.000159455 -0.000248911 -0.000850226 -0.000140393 -0.001196031 -0.001549901 0.001716100 -0.000204045 -0.000014710 -0.001223288 0.000842018 0.002037339 0.000417277 -0.000793222 -0.001408300 -0.002169061 -0.000512206 -0.001561814 0.001613508 0.000647130 0.002215937 0.000772429 0.000226888 0.000449917 0.000957691 0.000224045 0.002301488 0.000134012 0.000298872 0.000570679 -0.002093305 -0.001174277 0.001390103 0.001428289 0.000300327 -0.001586745 -0.000708561 0.001873098 -0.001050538 -0.000349533 0.002325203 -0.000676164 0.001193382 -0.000912867 0.001266030 -0.002029193 -0.000520045 0.000729238 0.000600325 0.000968521 -0.000439559 -0.000565184 -0.000866413 -0.001856757 0.000030938 0.000608858 0.001253341 0.001300848 -0.002143558 0.002627000 -0.000698859 0.001187062 -0.000016379 0.001015735 0.000475995 0.001414528 -0.001008881 -0.001132480 -0.002036145 -0.000711139 -0.001693322 -0.000030500 -0.001805471 0.002044482 0.000081776 0.002313496 0.000605930 0.015441293 0.003396027 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -965.655692383586 -965.655694067924 -0.000001684338 -965.655694082384 -0.000000014460 -965.655694085279 -0.000000002894 -965.655694086207 -0.000000000928 -965.655694086434 -0.000000000227 -965.655694086501 -0.000000000067 -965.655694086507 -0.000000000005 -965.655694087 8 9.613282190318e+02 -5.787220378698e+03 2.090450390313e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323731410 LenY= 11323292504 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) PT65589.700S 2025-01-27T13:33:36.000 Mulliken charges: 1 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 O O O C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H 0.160220 -0.297970 -0.385442 0.541168 -0.256930 0.409358 -0.515915 -0.560098 -0.383547 -0.846810 0.515784 -0.473222 -0.550963 -0.807467 -0.385005 0.430348 0.857584 -0.263854 -0.527989 -0.274225 -0.147395 -0.675488 0.190132 0.181999 0.159922 0.155961 0.157866 0.154690 0.156116 0.156835 0.140675 0.227084 0.160086 0.147937 0.154753 0.169240 0.165616 0.162838 0.240288 0.225010 0.167805 0.178825 0.192419 0.149329 0.169199 0.164702 0.161924 0.146608 -0.00000 -19.17335 -19.11874 -19.11730 -10.30892 -10.26696 -10.24309 -10.20798 -10.19804 -10.19098 -10.18585 -10.18309 -10.17710 -10.17682 -10.17564 -10.17302 -10.17046 -10.16069 -10.15981 -10.15821 -10.15688 -10.15632 -10.15502 -1.11312 -1.04992 -1.02692 -0.88460 -0.87146 -0.80699 -0.80179 -0.76248 -0.74726 -0.73259 -0.70830 -0.69027 -0.68776 -0.67932 -0.67179 -0.63106 -0.58416 -0.57394 -0.55520 -0.55215 -0.52554 -0.52368 -0.50290 -0.49432 -0.48507 -0.46982 -0.46118 -0.45913 -0.45169 -0.44499 -0.43525 -0.42888 -0.42679 -0.42249 -0.41878 -0.40987 -0.40844 -0.40277 -0.39789 -0.39722 -0.39453 -0.38438 -0.38020 -0.37797 -0.37548 -0.36717 -0.36606 -0.36293 -0.35733 -0.35149 -0.34630 -0.33339 -0.31914 -0.31503 -0.30162 -0.29044 -0.28147 -0.25922 -0.23468 -0.23395 -0.06272 -0.01889 -0.01518 0.00413 0.01259 0.01381 0.01747 0.02142 0.02577 0.03084 0.03582 0.04047 0.04356 0.04548 0.04828 0.05180 0.05580 0.05635 0.06100 0.06126 0.06544 0.06844 0.07155 0.07267 0.07594 0.08006 0.08149 0.08821 0.08992 0.09126 0.09355 0.09828 0.10127 0.10494 0.10604 0.11038 0.11099 0.11489 0.12170 0.12334 0.12893 0.13041 0.13532 0.13642 0.13926 0.14161 0.14596 0.14885 0.15022 0.15319 0.15800 0.16195 0.16438 0.16761 0.16936 0.17263 0.17370 0.17804 0.18086 0.18579 0.18925 0.19063 0.19268 0.19651 0.19786 0.19967 0.20286 0.20586 0.20648 0.21119 0.21320 0.21507 0.21665 0.22035 0.22260 0.22543 0.22729 0.23027 0.23075 0.23418 0.23607 0.23838 0.24092 0.24355 0.24673 0.25090 0.25205 0.25605 0.25800 0.26120 0.26411 0.26929 0.27034 0.27068 0.27160 0.27438 0.27881 0.28378 0.28574 0.28934 0.28943 0.29680 0.29809 0.30190 0.30486 0.30753 0.30855 0.31280 0.31440 0.31827 0.32178 0.32562 0.32966 0.33101 0.33339 0.34497 0.34624 0.35031 0.36451 0.36661 0.37061 0.37731 0.38121 0.38454 0.38978 0.39188 0.39548 0.40137 0.40886 0.41280 0.41846 0.42206 0.42844 0.43252 0.43703 0.44660 0.45346 0.45960 0.46105 0.46734 0.46796 0.47404 0.48396 0.48506 0.49316 0.50250 0.51682 0.52035 0.52689 0.52826 0.54007 0.54514 0.54707 0.55213 0.55706 0.56758 0.57046 0.57854 0.58323 0.58587 0.58861 0.59662 0.59692 0.60116 0.60879 0.61701 0.61945 0.62158 0.62380 0.62673 0.63543 0.63761 0.64393 0.64859 0.65078 0.65404 0.65738 0.66207 0.66430 0.66818 0.67068 0.67682 0.67820 0.67978 0.68667 0.69210 0.69912 0.70352 0.70543 0.71016 0.71468 0.71655 0.71757 0.72438 0.72494 0.73584 0.73681 0.74339 0.74471 0.74977 0.75378 0.75731 0.76264 0.76791 0.77119 0.77873 0.78622 0.79611 0.80224 0.80865 0.81463 0.81720 0.82322 0.83226 0.85815 0.86335 0.87074 0.88047 0.88373 0.90206 0.90571 0.91708 0.91822 0.93605 0.93897 0.94040 0.95301 0.96295 0.97177 0.97907 0.98602 0.99407 1.00499 1.00921 1.02984 1.03828 1.04768 1.05285 1.07805 1.08626 1.09197 1.09883 1.11105 1.11433 1.12779 1.12955 1.13810 1.14982 1.16676 1.18155 1.19394 1.20691 1.21583 1.22588 1.23410 1.25530 1.26861 1.27374 1.28595 1.30898 1.32387 1.33029 1.34030 1.34375 1.35384 1.35980 1.37857 1.38502 1.39641 1.40680 1.41513 1.41970 1.42965 1.44091 1.44614 1.44901 1.45431 1.46362 1.47081 1.47304 1.47775 1.48305 1.48757 1.49114 1.49281 1.50760 1.50919 1.51637 1.51962 1.53194 1.53521 1.54917 1.55196 1.56716 1.57003 1.57402 1.57598 1.57898 1.58331 1.58656 1.59874 1.60276 1.61565 1.62573 1.62967 1.63935 1.64247 1.64857 1.65513 1.66100 1.66901 1.67783 1.68761 1.68977 1.69446 1.70211 1.70840 1.71466 1.72479 1.72594 1.73023 1.73991 1.74420 1.74647 1.75569 1.76601 1.77435 1.77880 1.78705 1.78927 1.79787 1.80457 1.80867 1.81135 1.82167 1.83587 1.84031 1.85141 1.85833 1.87176 1.88173 1.89311 1.89428 1.90967 1.92258 1.93544 1.95055 1.95698 1.96115 1.97191 1.97526 1.98695 2.01300 2.01874 2.02826 2.03774 2.04941 2.05855 2.06598 2.06899 2.07496 2.08633 2.09829 2.09883 2.11442 2.11539 2.13200 2.14000 2.15445 2.16710 2.17033 2.17769 2.18442 2.18761 2.19299 2.20470 2.22440 2.24389 2.24937 2.26810 2.27447 2.29620 2.30640 2.32362 2.33484 2.35738 2.36564 2.37317 2.38002 2.40096 2.40648 2.41200 2.42533 2.44014 2.44650 2.45664 2.46402 2.46831 2.48162 2.48766 2.50085 2.50798 2.51721 2.52266 2.52425 2.52653 2.52927 2.53395 2.54046 2.55037 2.55232 2.56332 2.56949 2.57637 2.58311 2.58470 2.58804 2.59977 2.60445 2.61059 2.61593 2.63301 2.64369 2.64785 2.65586 2.66273 2.66704 2.68590 2.70572 2.70703 2.71873 2.71978 2.73555 2.75159 2.76214 2.76541 2.76945 2.78790 2.79475 2.80104 2.81148 2.82347 2.83275 2.85525 2.86218 2.87426 2.88080 2.89202 2.89983 2.91233 2.91914 2.92031 2.93749 2.94466 2.96268 2.97105 2.98173 2.98784 2.99133 2.99661 3.00666 3.01533 3.04360 3.06426 3.07820 3.09241 3.10021 3.12006 3.12484 3.13592 3.14752 3.16178 3.18393 3.19678 3.21963 3.23077 3.24695 3.25883 3.26751 3.28926 3.30338 3.32966 3.35240 3.36727 3.37980 3.46230 3.47965 3.55845 3.57677 3.58946 3.62769 3.66316 3.67413 3.67923 3.70763 3.76647 3.76709 3.79194 3.79556 3.80511 3.81852 3.82399 3.83725 3.84304 3.84539 3.84641 3.84710 3.85713 3.86615 3.89734 3.95982 4.04927 4.08812 4.15271 4.19032 4.23366 4.27338 4.28322 4.31621 4.32148 4.35908 4.51678 4.55732 4.57464 4.60389 5.06756 5.09856 5.13561 5.22896 5.30177 5.40882 5.66519 5.73781 5.89924 23.63145 23.70324 23.81193 23.81451 23.83789 23.86695 23.87969 23.88620 23.93201 23.94888 23.96564 23.97350 23.98429 23.99449 23.99802 24.00936 24.15070 24.24036 24.26704 49.93611 50.01973 50.02939 1-A. Mulliken charges: 1 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 O O O C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H 0.141164 -0.291561 -0.385728 0.598037 -0.251686 0.415900 -0.508072 -0.548475 -0.453841 -0.882843 0.552950 -0.444214 -0.562508 -0.801189 -0.365290 0.413836 0.853499 -0.311534 -0.522992 -0.294612 -0.132632 -0.682953 0.192189 0.183102 0.160418 0.155440 0.160715 0.154759 0.155482 0.158517 0.143382 0.227711 0.159134 0.149222 0.155877 0.166616 0.167644 0.165872 0.242168 0.224668 0.168471 0.182106 0.191410 0.150330 0.172762 0.164949 0.163887 0.147912 -0.00000 8.45081662e-01 -1.25676329e+00 -1.83731797e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 2.1480 -3.1944 -4.6700 6.0520 -129.1001 -130.1962 -140.9414 14.2913 6.1961 -0.9354 4.3124 3.2164 -7.5288 14.2913 6.1961 -0.9354 -2.3089 -14.3768 -8.9693 29.7491 -40.2048 -76.3979 -1.0908 -6.5431 -15.4784 19.2351 -10563.3952 -2325.7937 -1050.0356 11.2034 243.2503 91.3924 -15.1238 -0.5527 7.6153 -2219.0064 -2049.1354 -581.8187 -65.9359 52.5469 52.8805 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -965.6556941 2.906E-9 6.42E-6 4.6434416,-0.2088171,-4.4346245,-11.3306181,-1.0388745,-2.8580271 C01 [X(C19H26O3)] 0.7431031 1.8071748 1.3606143 -0.000005372 0.000016656 0.000002647 -0.000000793 0.000003832 0.000029873 0.000004687 -0.000000511 0.000005498 0.000010666 -0.000000647 0.000008866 0.000007445 0.000004670 -0.000007109 -0.000013466 -0.000005656 -0.000002194 -0.000004629 -0.000006604 -0.000009975 -0.000009504 -0.000004820 0.000002401 -0.000007854 0.000004626 0.000002421 0.000019409 -0.000006612 -0.000032639 0.000002195 -0.000002412 0.000004872 -0.000002366 -0.000011364 0.000014444 -0.000003647 -0.000000212 -0.000001352 0.000001112 -0.000000942 0.000002444 -0.000008086 -0.000002852 -0.000011401 0.000009664 0.000006605 -0.000008241 0.000003380 -0.000023160 -0.000003431 -0.000007848 0.000019596 -0.000007619 -0.000000407 -0.000002706 -0.000000598 -0.000001072 0.000001672 0.000002867 -0.000002037 0.000001275 -0.000000667 0.000002348 -0.000000713 -0.000002282 -0.000000972 0.000002422 -0.000001666 0.000002442 -0.000001043 -0.000000003 0.000003469 0.000000674 0.000000072 -0.000000069 0.000003286 -0.000001187 -0.000000634 -0.000000185 0.000002160 0.000004616 0.000000876 -0.000000105 0.000000957 -0.000002590 -0.000002234 -0.000001399 0.000001983 -0.000001223 0.000001492 -0.000000805 -0.000002068 -0.000006130 0.000002093 -0.000000442 -0.000000866 0.000002888 0.000002557 -0.000000873 -0.000000419 0.000000076 0.000001930 0.000002303 -0.000000134 0.000001501 0.000000603 -0.000002261 0.000001451 -0.000003454 0.000001830 -0.000001703 0.000002192 0.000000564 -0.000000329 0.000001608 0.000006109 0.000003442 -0.000002952 0.000005454 0.000002504 0.000000745 -0.000002275 -0.000001008 -0.000000724 0.000002117 -0.000002837 0.000000280 -0.000001450 0.000000960 -0.000002625 0.000001590 -0.000000584 0.000001271 0.000002264 0.000000683 0.000001414 0.000002583 -0.000001249 0.000002127 -0.000001530 -0.000000616 -0.000001689 0.000000376 276.20149999999984 AuxInfo=1/0/N:4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;2;3;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/rA:48nO0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.1401,.6821,-.206;1.1008,.3806,-2.066;-3.5952,-2.3571,-.8194;3.3314,1.802,-.3145;3.5556,.3216,-.3468;2.1684,.8549,.0375;3.8723,2.6081,.8517;3.3099,2.5707,-1.6209;4.3851,-.4053,.657;1.0375,.6186,-.8732;4.1857,-1.6742,1.0411;-1.35,.433,-.975;5.0924,-2.3509,2.0347;3.0549,-2.5254,.5268;-1.5973,-1.0486,-1.2419;-2.5175,.8913,-.1373;-3.4574,-.0812,.0096;-2.9871,-1.3047,-.6865;-2.5256,2.2845,.3837;-4.7245,.0556,.7193;-5.6444,-.9031,.9123;-6.9253,-.6939,1.6561;3.5599,-.1014,-1.3487;1.9065,.8187,1.0873;3.2931,3.5284,.9767;3.8354,2.0552,1.7927;4.9141,2.8907,.6655;2.9391,1.969,-2.4506;2.6805,3.4628,-1.5354;4.3251,2.9003,-1.8662;5.2246,.141,1.0814;-1.2879,1.0163,-1.8972;5.5521,-3.2443,1.5948;5.8909,-1.6899,2.3805;4.524,-2.6918,2.9088;2.4374,-2.8822,1.3601;2.4072,-2,-.1762;3.4475,-3.4192,.0269;-.8776,-1.6699,-.7016;-1.5503,-1.3203,-2.2975;-3.4622,2.5534,.8709;-2.3375,2.9904,-.4333;-1.7097,2.4171,1.1028;-4.9248,1.0418,1.1323;-5.4717,-1.8978,.516;-7.7866,-.917,1.0148;-6.9932,-1.3776,2.5109;-7.0256,.3307,2.0248; Gaussian 16 GINC-GALAPAGAR APULGAR Optimization Allethrin_RR CONF43 octanol EM64L-G16RevC.01 138 C1[X(C19H26O3)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 276.20149999999984 AuxInfo=1/0/N:4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;2;3;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/rA:48nO0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.1401,.6821,-.206;1.1008,.3806,-2.066;-3.5952,-2.3571,-.8194;3.3314,1.802,-.3145;3.5556,.3216,-.3468;2.1684,.8549,.0375;3.8723,2.6081,.8517;3.3099,2.5707,-1.6209;4.3851,-.4053,.657;1.0375,.6186,-.8732;4.1857,-1.6742,1.0411;-1.35,.433,-.975;5.0924,-2.3509,2.0347;3.0549,-2.5254,.5268;-1.5973,-1.0486,-1.2419;-2.5175,.8913,-.1373;-3.4574,-.0812,.0096;-2.9871,-1.3047,-.6865;-2.5256,2.2845,.3837;-4.7245,.0556,.7193;-5.6444,-.9031,.9123;-6.9253,-.6939,1.6561;3.5599,-.1014,-1.3487;1.9065,.8187,1.0873;3.2931,3.5284,.9767;3.8354,2.0552,1.7927;4.9141,2.8907,.6655;2.9391,1.969,-2.4506;2.6805,3.4628,-1.5354;4.3251,2.9003,-1.8662;5.2246,.141,1.0814;-1.2879,1.0163,-1.8972;5.5521,-3.2443,1.5948;5.8909,-1.6899,2.3805;4.524,-2.6918,2.9088;2.4374,-2.8822,1.3601;2.4072,-2,-.1762;3.4475,-3.4192,.0269;-.8776,-1.6699,-.7016;-1.5503,-1.3203,-2.2975;-3.4622,2.5535,.8709;-2.3375,2.9904,-.4333;-1.7097,2.4171,1.1028;-4.9248,1.0418,1.1323;-5.4717,-1.8978,.516;-7.7866,-.917,1.0148;-6.9932,-1.3776,2.5109;-7.0256,.3307,2.0248; Optimization Allethrin_RR CONF43 octanol Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 16 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5.6000000 5.6000000 5.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "opt-b3lyp-pople.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 1 1 2 3 4 4 4 4 5 5 5 6 6 7 7 7 8 8 8 9 9 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 17 17 19 19 19 20 20 21 21 22 22 22 10 12 10 18 5 6 7 8 6 9 23 10 24 25 26 27 28 29 30 11 31 13 14 15 16 32 33 34 35 36 37 38 18 39 40 17 19 18 20 41 42 43 21 44 22 45 46 47 48 1.355 1.4551 1.218 1.2227 1.4977 1.5406 1.5174 1.5159 1.5351 1.4913 1.0875 1.4711 1.0826 1.0946 1.092 1.0954 1.0899 1.0952 1.0952 1.3407 1.0878 1.5058 1.5058 1.5257 1.5082 1.0929 1.0968 1.0928 1.0969 1.0968 1.0907 1.0968 1.5184 1.0935 1.091 1.3604 1.4874 1.4841 1.4588 1.0895 1.096 1.0957 1.3425 1.0878 1.4959 1.0846 1.0968 1.0968 1.0935 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 A85 A86 A87 A88 10 5 5 6 6 7 4 4 6 6 9 4 4 5 5 10 4 4 4 25 25 26 4 4 4 28 28 29 5 5 11 1 1 2 9 9 13 1 1 1 15 15 16 11 11 11 33 33 34 11 11 11 36 36 37 12 12 12 18 18 39 12 12 17 16 16 18 3 3 15 16 16 16 41 41 42 17 17 21 20 20 22 21 21 21 46 46 47 1 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 19 19 19 20 20 20 21 21 21 22 22 22 22 22 22 12 7 8 7 8 8 9 23 9 23 23 10 24 10 24 24 25 26 27 26 27 27 28 29 30 29 30 30 11 31 31 2 6 6 13 14 14 15 16 32 16 32 32 33 34 35 34 35 35 36 37 38 37 38 38 18 39 40 39 40 40 17 19 19 18 20 20 15 17 17 41 42 43 42 43 43 21 44 44 22 45 45 46 47 48 47 48 48 117.0266 119.2323 118.9971 114.8383 119.867 113.4541 123.4012 113.8863 120.2262 111.6775 115.3639 122.5184 115.1383 118.9365 116.733 114.1393 110.2288 112.4077 110.2038 108.029 107.8092 108.0153 112.3905 110.7259 109.4233 108.2738 108.1194 107.7654 124.8461 116.5607 118.5756 122.4493 110.8387 126.7078 121.6575 123.289 115.0533 113.1698 107.3422 107.8993 105.4712 112.3269 110.5178 110.7151 112.1424 110.6998 108.2635 106.4804 108.3312 110.3152 113.1868 110.3382 108.1806 106.4167 108.1423 104.3693 111.0139 113.837 109.017 110.5675 107.9519 112.1842 118.9027 128.9013 108.646 125.8477 125.5029 124.0994 127.0802 108.8179 113.1133 109.954 109.8309 108.7734 108.4655 106.4743 126.7356 115.4483 117.8152 123.938 119.5569 116.5051 110.6909 110.6927 112.1601 106.2797 108.4053 108.397 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 12 12 10 10 10 7 7 8 8 7 7 8 8 5 5 5 6 6 6 8 8 8 5 5 5 6 6 6 7 7 7 9 9 23 23 4 4 6 6 23 23 4 4 5 5 24 24 5 5 31 31 9 9 9 14 14 14 9 9 9 13 13 13 1 1 1 16 16 16 32 32 32 1 1 15 15 32 32 12 12 39 39 40 40 12 12 19 19 12 12 12 17 17 17 16 16 20 20 16 16 18 18 17 17 44 44 20 20 20 45 45 45 1 1 1 1 1 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 9 9 9 9 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 16 17 17 17 17 17 17 17 17 20 20 20 20 21 21 21 21 21 21 10 10 12 12 12 5 5 5 5 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 6 6 6 6 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 18 18 18 18 18 18 17 17 17 17 19 19 19 19 19 19 18 18 18 18 20 20 20 20 21 21 21 21 22 22 22 22 22 22 2 6 15 16 32 9 23 9 23 10 24 10 24 25 26 27 25 26 27 25 26 27 28 29 30 28 29 30 28 29 30 10 24 10 24 11 31 11 31 11 31 1 2 1 2 1 2 13 14 13 14 33 34 35 33 34 35 36 37 38 36 37 38 18 39 40 18 39 40 18 39 40 17 19 17 19 17 19 3 17 3 17 3 17 18 20 18 20 41 42 43 41 42 43 3 15 3 15 21 44 21 44 22 45 22 45 46 47 48 46 47 48 0.8409 -178.4562 78.0493 -165.9984 -46.8729 -5.1717 -153.7329 141.0953 -7.466 142.7809 -3.8239 2.286 -144.3188 -155.3058 -34.727 85.8171 -86.3713 34.2076 154.7516 56.6628 177.2417 -62.2143 30.6338 151.8639 -89.4936 -40.2513 80.9788 -160.3786 178.7468 -60.0231 58.6194 -133.7013 9.5896 6.2137 149.5046 149.8749 -31.6811 76.5494 -105.0067 -61.9813 116.4626 -134.1102 46.6298 156.9908 -22.2693 12.795 -166.465 178.2845 -1.8663 -0.1306 179.7186 -120.8271 0.2111 121.3252 59.3121 -179.6497 -58.5356 -122.2862 -0.9192 120.415 57.5721 178.9391 -59.7267 124.0753 6.769 -115.2832 7.0183 -110.288 127.6598 -113.4339 129.2598 7.2076 -126.6163 54.5236 -5.6773 175.4626 115.9543 -62.9058 173.1147 -6.3457 -68.2102 112.3294 50.3141 -129.1463 1.6735 -177.6894 -179.6089 1.0283 172.9763 51.1585 -65.6909 -5.6673 -127.4852 115.6654 -176.35 3.0899 3.0156 -177.5445 -177.6722 1.9702 3.0693 -177.2882 179.8101 -0.1266 0.175 -179.7616 121.1963 -121.2241 -0.0186 -58.8653 58.7143 179.9198 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00039 0.00062 0.00102 0.00110 0.00185 0.00217 0.00258 0.00262 0.00266 0.00290 0.00541 0.00758 0.01373 0.01509 0.01561 0.01751 0.01864 0.01900 0.01975 0.02076 0.02184 0.02393 0.02458 0.02643 0.02866 0.03034 0.03305 0.03518 0.03683 0.03988 0.04435 0.04466 0.04535 0.04554 0.04661 0.05216 0.05321 0.05505 0.05511 0.05567 0.05636 0.05682 0.05729 0.05825 0.05885 0.06082 0.06467 0.06716 0.06847 0.08853 0.09227 0.11217 0.11793 0.11925 0.12030 0.12073 0.12090 0.12143 0.12390 0.12490 0.12835 0.13573 0.13661 0.13867 0.13975 0.14079 0.14108 0.14353 0.14448 0.14465 0.14524 0.14768 0.14869 0.15325 0.15774 0.16277 0.17420 0.17454 0.18036 0.18408 0.18538 0.19759 0.20479 0.20690 0.21002 0.21514 0.22445 0.23046 0.23299 0.24902 0.25889 0.26390 0.27152 0.27811 0.29127 0.29971 0.31516 0.31628 0.31738 0.31748 0.31768 0.32006 0.32303 0.32380 0.32409 0.32699 0.32778 0.32816 0.32900 0.32970 0.33215 0.33250 0.33314 0.33423 0.33547 0.33797 0.33931 0.34009 0.34085 0.34146 0.34164 0.34322 0.34528 0.34712 0.34722 0.34797 0.35056 0.35343 0.35628 0.35699 0.38454 0.41862 0.44309 0.52255 0.59414 0.60853 0.76582 0.79639 Angle between quadratic step and forces= 77.51 degrees. 1 2 3 0.00221518 0.00000151 0.00000000 0.00000094 0.00000006 0.00000006 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 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 2.56051 2.74978 2.30172 2.31048 2.83026 2.91139 2.86748 2.86465 2.90086 2.81817 2.05515 2.77993 2.04574 2.06845 2.06366 2.06995 2.05966 2.06955 2.06957 2.53349 2.05569 2.84563 2.84563 2.88310 2.85015 2.06519 2.07274 2.06504 2.07282 2.07266 2.06120 2.07260 2.86939 2.06650 2.06169 2.57085 2.81082 2.80463 2.75666 2.05889 2.07108 2.07049 2.53704 2.05571 2.82688 2.04959 2.07259 2.07258 2.06644 2.04250 2.08100 2.07689 2.00431 2.09207 1.98015 2.15376 1.98769 2.09834 1.94914 2.01348 2.13835 2.00954 2.07583 2.03738 1.99211 1.92386 1.96188 1.92342 1.88546 1.88163 1.88522 1.96158 1.93253 1.90980 1.88973 1.88704 1.88086 2.17898 2.03437 2.06953 2.13714 1.93450 2.21147 2.12332 2.15180 2.00806 1.97519 1.87347 1.88320 1.84082 1.96047 1.92890 1.93234 1.95725 1.93208 1.88955 1.85843 1.89074 1.92536 1.97548 1.92576 1.88811 1.85732 1.88744 1.82159 1.93756 1.98683 1.90270 1.92977 1.88412 1.95798 2.07524 2.24975 1.89623 2.19646 2.19044 2.16594 2.21797 1.89923 1.97420 1.91906 1.91691 1.89845 1.89308 1.85833 2.21195 2.01495 2.05626 2.16313 2.08666 2.03340 1.93192 1.93195 1.95756 1.85493 1.89203 1.89189 0.01468 -3.11465 1.36222 -2.89722 -0.81809 -0.09026 -2.68315 2.46258 -0.13031 2.49200 -0.06674 0.03990 -2.51884 -2.71060 -0.60610 1.49779 -1.50746 0.59704 2.70093 0.98895 3.09345 -1.08584 0.53466 2.65052 -1.56196 -0.70252 1.41335 -2.79914 3.11972 -1.04760 1.02310 -2.33353 0.16737 0.10845 2.60935 2.61581 -0.55294 1.33604 -1.83271 -1.08178 2.03266 -2.34066 0.81384 2.74001 -0.38867 0.22331 -2.90536 3.11165 -0.03257 -0.00228 3.13668 -2.10883 0.00369 2.11752 1.03519 -3.13548 -1.02164 -2.13430 -0.01604 2.10164 1.00482 3.12308 -1.04243 2.16552 0.11814 -2.01207 0.12249 -1.92489 2.22808 -1.97980 2.25601 0.12580 -2.20987 0.95162 -0.09909 3.06240 2.02378 -1.09791 3.02142 -0.11075 -1.19049 1.96052 0.87815 -2.25403 0.02921 -3.10127 -3.13477 0.01795 3.01901 0.89288 -1.14652 -0.09891 -2.22504 2.01874 -3.07789 0.05393 0.05263 -3.09874 -3.10097 0.03439 0.05357 -3.09426 3.13828 -0.00221 0.00305 -3.13743 2.11528 -2.11576 -0.00032 -1.02739 1.02476 3.14019 0.00001 0.00001 -0.00003 -0.00000 -0.00001 0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -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 0.00001 -0.00000 -0.00002 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -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 -0.00001 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00006 -0.00007 -0.00006 0.00001 -0.00000 0.00004 -0.00005 -0.00001 -0.00007 0.00001 0.00000 -0.00002 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00001 -0.00001 -0.00000 -0.00004 0.00003 -0.00001 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00001 0.00004 -0.00005 0.00003 -0.00001 -0.00008 0.00000 -0.00001 -0.00001 -0.00001 0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00001 -0.00000 -0.00001 0.00002 0.00001 0.00006 -0.00014 0.00004 -0.00014 0.00002 -0.00007 0.00006 0.00007 -0.00020 -0.00001 0.00011 0.00004 0.00005 0.00004 0.00000 0.00002 -0.00001 -0.00003 -0.00003 0.00001 0.00001 0.00003 0.00001 -0.00003 -0.00003 0.00009 -0.00006 -0.00003 0.00000 -0.00001 0.00000 -0.00002 0.00002 -0.00000 0.00018 0.00018 0.00001 -0.00005 -0.00013 -0.00020 0.00002 0.00000 0.00000 -0.00000 0.00000 -0.00002 0.00004 -0.00000 -0.00002 0.00002 -0.00000 -0.00004 -0.00011 -0.00031 0.00028 -0.00028 0.00031 0.00008 -0.00006 0.00008 -0.00002 -0.00002 -0.00002 0.00004 0.00001 0.00002 -0.00002 -0.00001 0.00003 0.00001 -0.00001 -0.00002 -0.00000 0.00001 0.00000 -0.00002 0.00000 0.00000 -0.00000 -0.00000 0.00002 0.00001 -0.00002 -0.00002 -0.00000 0.00018 0.00006 -0.00043 -0.00027 -0.00040 0.00008 0.00013 0.00021 0.00027 -0.00022 0.00007 -0.00018 0.00011 -0.00032 -0.00030 -0.00032 -0.00033 -0.00031 -0.00034 -0.00044 -0.00042 -0.00044 -0.00086 -0.00084 -0.00085 -0.00077 -0.00075 -0.00076 -0.00074 -0.00072 -0.00073 -0.00043 -0.00010 -0.00030 0.00003 -0.00072 -0.00078 -0.00067 -0.00073 -0.00080 -0.00085 0.00125 0.00112 0.00126 0.00113 0.00095 0.00082 0.00006 0.00013 0.00012 0.00018 -0.00024 -0.00024 -0.00026 -0.00031 -0.00030 -0.00032 -0.00057 -0.00052 -0.00058 -0.00051 -0.00045 -0.00052 0.00200 0.00254 0.00246 0.00171 0.00226 0.00218 0.00206 0.00260 0.00252 -0.00153 -0.00132 -0.00126 -0.00104 -0.00155 -0.00133 -0.00140 -0.00166 -0.00195 -0.00221 -0.00183 -0.00210 0.00020 0.00022 -0.00004 -0.00002 -0.00086 -0.00086 -0.00088 -0.00061 -0.00060 -0.00062 0.00068 0.00096 0.00066 0.00093 -0.00069 -0.00073 -0.00067 -0.00071 0.00003 -0.00003 0.00007 0.00001 -0.00040 -0.00041 -0.00039 -0.00034 -0.00035 -0.00033 0.00006 -0.00007 -0.00006 0.00001 -0.00000 0.00004 -0.00005 -0.00001 -0.00007 0.00001 0.00000 -0.00002 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00001 -0.00001 -0.00000 -0.00004 0.00003 -0.00001 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00001 0.00004 -0.00005 0.00003 -0.00001 -0.00008 0.00000 -0.00001 -0.00001 -0.00001 0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00001 -0.00000 -0.00001 0.00002 0.00001 0.00006 -0.00014 0.00004 -0.00014 0.00002 -0.00007 0.00006 0.00007 -0.00020 -0.00001 0.00011 0.00004 0.00005 0.00004 0.00000 0.00002 -0.00001 -0.00003 -0.00003 0.00001 0.00001 0.00003 0.00001 -0.00003 -0.00003 0.00009 -0.00006 -0.00003 0.00000 -0.00001 0.00000 -0.00002 0.00002 -0.00000 0.00018 0.00018 0.00001 -0.00005 -0.00013 -0.00020 0.00002 0.00000 0.00000 -0.00000 0.00000 -0.00002 0.00004 -0.00000 -0.00002 0.00002 -0.00000 -0.00004 -0.00011 -0.00031 0.00028 -0.00028 0.00031 0.00008 -0.00006 0.00008 -0.00002 -0.00002 -0.00002 0.00004 0.00001 0.00002 -0.00002 -0.00001 0.00003 0.00001 -0.00001 -0.00002 -0.00000 0.00001 0.00000 -0.00002 0.00000 0.00000 -0.00000 -0.00000 0.00002 0.00001 -0.00002 -0.00002 -0.00000 0.00018 0.00006 -0.00043 -0.00027 -0.00040 0.00008 0.00013 0.00021 0.00027 -0.00022 0.00007 -0.00018 0.00011 -0.00032 -0.00030 -0.00032 -0.00033 -0.00031 -0.00034 -0.00044 -0.00042 -0.00044 -0.00086 -0.00084 -0.00085 -0.00077 -0.00075 -0.00076 -0.00074 -0.00072 -0.00073 -0.00043 -0.00010 -0.00030 0.00003 -0.00072 -0.00078 -0.00067 -0.00073 -0.00080 -0.00085 0.00125 0.00112 0.00126 0.00113 0.00095 0.00082 0.00006 0.00013 0.00012 0.00018 -0.00024 -0.00024 -0.00026 -0.00031 -0.00030 -0.00032 -0.00057 -0.00052 -0.00058 -0.00051 -0.00045 -0.00052 0.00200 0.00254 0.00246 0.00171 0.00226 0.00218 0.00206 0.00260 0.00252 -0.00153 -0.00132 -0.00126 -0.00104 -0.00155 -0.00133 -0.00140 -0.00166 -0.00195 -0.00221 -0.00183 -0.00210 0.00020 0.00022 -0.00004 -0.00002 -0.00086 -0.00086 -0.00088 -0.00061 -0.00060 -0.00062 0.00068 0.00096 0.00066 0.00093 -0.00069 -0.00073 -0.00067 -0.00071 0.00003 -0.00003 0.00007 0.00001 -0.00040 -0.00041 -0.00039 -0.00034 -0.00035 -0.00033 2.56057 2.74971 2.30166 2.31049 2.83026 2.91143 2.86743 2.86465 2.90079 2.81818 2.05515 2.77991 2.04574 2.06844 2.06366 2.06995 2.05966 2.06954 2.06957 2.53349 2.05570 2.84562 2.84563 2.88310 2.85011 2.06522 2.07273 2.06503 2.07281 2.07265 2.06120 2.07260 2.86937 2.06655 2.06165 2.57088 2.81082 2.80455 2.75666 2.05888 2.07106 2.07048 2.53704 2.05571 2.82687 2.04959 2.07259 2.07257 2.06643 2.04249 2.08101 2.07691 2.00437 2.09193 1.98018 2.15362 1.98771 2.09828 1.94920 2.01355 2.13815 2.00953 2.07595 2.03741 1.99215 1.92389 1.96189 1.92344 1.88545 1.88160 1.88519 1.96160 1.93254 1.90983 1.88974 1.88701 1.88084 2.17906 2.03430 2.06951 2.13715 1.93449 2.21147 2.12331 2.15182 2.00806 1.97537 1.87366 1.88321 1.84077 1.96034 1.92870 1.93236 1.95725 1.93208 1.88955 1.85844 1.89072 1.92540 1.97548 1.92574 1.88813 1.85732 1.88740 1.82148 1.93725 1.98711 1.90242 1.93008 1.88420 1.95793 2.07532 2.24973 1.89621 2.19644 2.19048 2.16595 2.21798 1.89921 1.97419 1.91909 1.91693 1.89844 1.89307 1.85833 2.21197 2.01496 2.05625 2.16313 2.08666 2.03339 1.93192 1.93197 1.95758 1.85491 1.89201 1.89188 0.01486 -3.11459 1.36179 -2.89749 -0.81849 -0.09019 -2.68301 2.46279 -0.13004 2.49178 -0.06667 0.03972 -2.51873 -2.71092 -0.60640 1.49747 -1.50780 0.59672 2.70059 0.98851 3.09303 -1.08629 0.53380 2.64969 -1.56281 -0.70328 1.41260 -2.79989 3.11898 -1.04832 1.02237 -2.33395 0.16727 0.10815 2.60938 2.61509 -0.55372 1.33537 -1.83344 -1.08258 2.03180 -2.33941 0.81497 2.74127 -0.38754 0.22427 -2.90454 3.11171 -0.03245 -0.00216 3.13686 -2.10908 0.00345 2.11726 1.03489 -3.13578 -1.02196 -2.13487 -0.01656 2.10105 1.00431 3.12262 -1.04295 2.16752 0.12068 -2.00961 0.12420 -1.92263 2.23026 -1.97774 2.25861 0.12832 -2.21140 0.95030 -0.10034 3.06136 2.02223 -1.09925 3.02003 -0.11242 -1.19244 1.95830 0.87631 -2.25613 0.02941 -3.10104 -3.13481 0.01793 3.01814 0.89203 -1.14740 -0.09952 -2.22564 2.01812 -3.07721 0.05489 0.05329 -3.09780 -3.10166 0.03365 0.05290 -3.09497 3.13831 -0.00224 0.00313 -3.13742 2.11487 -2.11617 -0.00071 -1.02774 1.02441 3.13986 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000030 0.000003 0.007761 0.002215 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -5.945139e-08 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 662 A 640 A 640 1000 662 82 82 1769.8331893354 48 48 48 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0474291249 PCM SMD-Coulomb. Total charges None Matrix inversion n-Octanol 9.862900 2.043470 0.000000 2.256217 0.000000 4.642269 5.576863 0.000000 3.649236 3.172324 8.095073 0.000000 3.715853 2.997472 7.650591 1.497710 0.000000 2.327693 2.406172 6.653552 1.540639 1.535067 0.000000 4.574649 4.599599 9.121904 1.517405 2.601027 2.576838 0.000000 4.179862 3.142432 8.520909 1.515910 2.596600 2.645302 2.536053 0.000000 4.733287 4.338045 8.347079 2.631781 1.491310 2.623992 3.062916 3.898873 0.000000 1.354966 1.218016 5.506313 2.640896 2.589539 1.471077 3.869038 3.087660 3.820422 0.000000 5.081249 4.836540 8.029271 3.827707 2.511202 3.387104 4.297930 5.086447 1.340665 4.339540 0.000000 1.455122 2.683217 3.584648 4.921960 4.946881 3.685422 5.944783 5.167371 6.021399 2.396905 6.256867 0.000000 6.449706 6.341131 9.144395 5.085983 3.895618 4.776577 5.242180 6.384626 2.486781 5.806519 1.505844 7.636319 0.000000 4.586160 4.357260 6.787085 4.417081 3.019734 3.528649 5.208317 5.536030 2.506207 3.989251 1.505845 5.514611 2.540785 0.000000 2.488380 3.162554 2.425299 5.768714 5.406525 4.409160 6.904460 6.109340 6.309391 3.139727 6.248661 1.525671 7.562020 5.191551 0.000000 2.387576 4.131951 3.489768 5.921982 6.103302 4.689267 6.689907 6.243407 7.068027 3.640606 7.273377 1.508236 8.552161 6.570092 2.414558 0.000000 3.410819 5.029812 2.426051 7.052576 7.033535 5.703184 7.852757 7.449014 7.875781 4.633936 7.875097 2.382241 9.074728 6.975043 2.441739 1.360437 0.000000 3.504837 4.631901 1.222653 7.050763 6.750295 5.636231 8.045353 7.452815 7.547367 4.464480 7.387103 2.404804 8.589385 6.282358 1.518415 2.311831 1.484146 0.000000 2.933559 4.772472 4.912767 5.918087 6.431691 4.919007 6.423103 6.176811 7.420649 4.129219 7.819418 2.579876 9.068944 7.368630 3.822770 1.487423 2.569964 3.773656 0.000000 4.718676 6.465175 3.076334 8.307606 8.352679 6.972514 8.968742 8.738120 9.121454 6.004523 9.082231 3.794810 10.192801 8.198669 3.852929 2.510619 1.458760 2.616354 3.148978 0.000000 5.836159 7.484392 3.051556 9.454454 9.366106 8.055736 10.143925 9.932966 10.045027 7.081760 9.861060 4.877381 10.891909 8.857655 4.586998 3.754853 2.504634 3.127073 4.490771 1.342544 0.000000 7.169383 8.912213 4.470338 10.738353 10.718740 9.365555 11.319822 11.231920 11.358081 8.457338 11.171068 6.267109 12.137291 10.209538 6.075507 5.015764 3.887495 4.622804 5.463275 2.506530 1.495919 0.000000 3.950868 2.606473 7.520837 2.178292 1.087537 2.184603 3.504476 2.697561 2.190032 2.665843 2.928523 4.952995 4.342445 3.106137 5.244523 6.275921 7.147542 6.689488 6.762104 8.540060 9.511732 10.923319 0.000000 2.424780 3.283979 6.632410 2.227669 2.241302 1.082559 2.668751 3.517643 2.797618 2.153729 3.378030 3.873817 4.592818 3.579900 4.603070 4.590871 5.544532 5.621562 4.720850 6.684883 7.746613 8.978380 3.084583 0.000000 4.613763 4.896236 9.236514 2.156200 3.479199 3.048749 1.094575 2.768585 4.094970 4.120284 5.279024 5.911755 6.238913 6.075180 7.056015 6.477495 7.715786 8.097285 5.979586 8.741211 9.975989 11.077211 4.319115 3.045957 0.000000 4.656639 5.017145 9.027968 2.181378 2.767895 2.701869 1.092044 3.492066 2.765071 4.122930 3.820408 6.097526 4.588263 4.815895 6.953867 6.740796 7.805626 7.998837 6.519167 8.855656 9.969560 11.107133 3.820378 2.397346 1.769337 0.000000 5.584045 5.319997 10.106979 2.156482 3.077438 3.475269 1.095370 2.811249 3.338123 4.749453 4.637819 6.926024 5.420425 5.727921 7.845635 7.737564 8.907493 9.047512 7.469604 10.047052 11.222045 12.409723 3.852714 3.676538 1.769557 1.769828 0.000000 4.021901 2.459726 8.004543 2.178220 2.742275 2.833051 3.490659 1.089925 4.169566 2.815653 5.197929 4.788837 6.589158 5.392389 5.580864 6.023875 7.153406 6.996368 6.164002 8.511202 9.655780 11.011916 2.426155 3.860894 3.781990 4.337774 3.802603 0.000000 4.177907 3.503833 8.588777 2.161575 3.470731 3.088302 2.801659 1.095157 4.761748 3.350716 5.940725 5.073270 7.236210 6.344368 6.224003 5.965386 7.253981 7.454589 5.672189 8.457330 9.713646 10.942304 3.675853 3.803832 2.586543 3.793613 3.187504 1.770835 0.000000 5.254955 4.096932 9.563826 2.145123 3.090440 3.529810 2.770867 1.095171 4.158989 4.123169 5.421967 6.252077 6.586501 6.064485 7.145535 7.337996 8.542563 8.517169 7.236895 9.832246 11.026169 12.324625 3.140671 4.348163 3.088991 3.787060 2.599316 1.769120 1.769373 0.000000 5.543444 5.193194 9.361729 2.879564 2.204125 3.307510 2.822787 4.107551 1.087826 4.645418 2.091868 6.894888 2.671344 3.482053 7.304192 7.873224 8.750685 8.523344 8.071298 9.956064 10.920296 12.192091 2.955637 3.386619 3.900821 2.469747 2.798211 4.586979 4.935044 4.136615 0.000000 2.071040 2.477644 4.226625 4.945700 5.132774 3.964228 6.059546 4.861348 6.381777 2.571847 6.769889 1.092852 8.216192 6.105637 2.188334 2.150474 3.089814 3.120868 2.888290 4.424814 5.527721 6.879697 5.005094 4.376076 5.962835 6.398628 6.967425 4.368255 4.675931 5.920849 7.214611 0.000000 7.145654 6.808456 9.502023 5.834599 4.524523 5.538754 6.133922 7.013012 3.209602 6.433811 2.153861 8.231996 1.096849 2.809517 7.998857 9.231538 9.679276 9.048987 9.863200 10.828893 11.458975 12.735556 4.744569 5.482334 7.166275 5.574101 6.237671 7.097301 7.939119 7.158248 3.439653 8.782468 0.000000 6.977711 6.855872 10.033434 5.099760 4.115565 5.081540 4.988452 6.389459 2.624531 6.282531 2.168445 8.258116 1.092770 3.489551 8.343001 9.148868 9.777432 9.400693 9.519387 10.885433 11.654874 12.875204 4.675904 4.882679 5.995836 4.312269 4.987663 6.740937 7.224343 6.446426 2.341729 8.783870 1.774396 0.000000 6.545119 6.775414 8.940489 5.657435 4.540610 5.135351 5.722384 7.048836 3.212177 6.116954 2.153698 7.704044 1.096887 2.803510 7.576165 8.467545 8.883816 8.441940 8.990864 9.893284 10.515744 11.689629 5.076022 4.742642 6.628712 4.924794 6.028990 7.277238 7.812078 7.356099 3.443100 8.403860 1.757514 1.775183 0.000000 4.669064 4.916324 6.435699 5.054226 3.798371 3.973291 5.697441 6.275465 3.228425 4.382047 2.148809 5.548681 2.790375 1.096804 5.139176 6.405630 6.664648 6.008511 7.230402 7.767529 8.332621 9.619615 4.041056 3.748670 6.478829 5.149636 6.319969 6.189272 6.978649 6.885465 4.121363 6.299634 3.144439 3.793307 2.605467 0.000000 3.699079 3.308363 6.047318 3.915169 2.595643 2.872797 4.943467 4.877846 2.673805 3.036229 2.179606 4.546911 3.495922 1.090743 4.251702 5.710823 6.173292 5.462818 6.557603 7.475890 8.198533 9.599951 2.511585 3.129208 5.716419 4.728672 5.559782 4.605319 5.635971 5.526984 3.755409 5.070840 3.817715 4.332290 3.804768 1.771791 0.000000 5.453959 4.932117 7.172422 5.233693 3.760950 4.461399 6.098342 6.213985 3.218689 4.787675 2.149075 6.233748 2.806816 1.096773 5.716598 7.361254 7.669383 6.810570 8.266583 8.907033 9.475042 10.847870 3.593457 4.632359 7.013983 5.765165 6.509472 5.952303 7.098694 6.655143 4.116475 6.767535 2.630231 3.807905 3.161146 1.756657 1.771337 0.000000 2.514216 3.159146 2.805609 5.469847 4.872827 4.024750 6.578406 6.030162 5.580371 2.988999 5.354748 2.172573 6.602417 4.207790 1.093547 3.093065 3.112046 2.140921 4.419297 4.449144 5.090648 6.563988 4.750780 4.140507 6.872653 6.504563 7.497373 5.555867 6.300722 7.022171 6.610221 2.968661 7.006654 7.437189 6.576940 4.087722 3.342903 4.722001 0.000000 3.220698 3.158372 2.727815 6.124723 5.707086 4.900272 7.399669 6.262585 6.692909 3.533418 6.646227 2.205296 7.997223 5.535047 1.091001 3.239300 3.239613 2.158663 4.597201 4.590169 5.219011 6.701761 5.338529 5.289743 7.595346 7.558391 8.264376 5.567605 6.431068 7.247097 7.710504 2.385127 8.324396 8.797234 8.116836 5.631961 4.541346 5.897978 1.766798 0.000000 3.962087 5.845357 5.195004 6.937025 7.464125 5.939958 7.334709 7.216016 8.389233 5.199340 8.740215 3.516390 9.929153 8.269563 4.573481 2.161432 2.771894 4.187687 1.089517 2.802836 4.087958 4.811949 7.828443 5.646125 6.826068 7.372426 8.385568 7.235356 6.659519 8.261596 9.017993 3.840910 10.742237 10.380956 9.769592 8.036844 7.502011 9.172169 5.195117 5.357261 0.000000 3.195101 4.615103 5.506886 5.793349 6.469841 5.008546 6.352917 5.786217 7.610040 4.148502 8.153770 2.794399 9.477585 7.773285 4.185119 2.127488 3.299247 4.351297 1.095966 3.954648 5.282514 6.243949 6.721359 5.004025 5.829360 6.628345 7.335074 5.740682 5.159263 6.815573 8.221870 2.672380 10.258220 9.875681 9.515128 7.778399 6.890760 8.646459 4.890925 4.762042 1.776727 0.000000 2.680842 4.699800 5.481143 5.272504 5.849411 4.314486 5.590871 5.713023 6.731302 3.832296 7.176163 2.895415 8.358857 6.889218 4.185893 2.125705 3.239020 4.322675 1.095655 3.848805 5.151886 6.098129 6.334136 3.953692 5.126237 5.599520 6.655042 5.868448 5.227510 6.742936 7.298284 3.337688 9.221017 8.733145 8.259611 6.734023 6.172148 7.862349 4.544402 5.055301 1.773048 1.755751 0.000000 4.981425 6.853878 4.138796 8.416440 8.638524 7.179663 8.939898 8.816422 9.433689 6.304860 9.507165 4.194175 10.614600 8.761747 4.591238 2.725815 2.162205 3.545310 2.803804 1.087836 2.085374 2.699767 8.913651 6.835097 8.587294 8.843343 10.022010 8.691303 8.415375 9.899841 10.189454 4.733471 11.329223 11.224951 10.313888 8.345812 8.045116 9.550840 5.205444 5.360116 2.119623 3.597549 3.497098 0.000000 5.966865 7.419981 2.348506 9.585019 9.336030 8.134934 10.379133 10.082205 9.970123 7.115628 9.674201 4.964306 10.682297 8.549688 4.338462 4.115005 2.759319 2.823295 5.117494 2.101272 1.084596 2.205054 9.395396 7.883069 10.318795 10.192044 11.437488 9.720830 9.970049 11.165759 10.903529 5.640846 11.158004 11.516395 10.308712 8.014710 7.909915 9.061209 4.758174 4.860689 4.896726 5.883750 5.754635 3.052920 0.000000 7.906806 9.495402 4.796515 11.522608 11.490596 10.158609 12.181292 11.926645 12.187719 9.153618 11.996253 6.871129 12.998678 10.971086 6.589243 5.688704 4.522327 5.106910 6.190858 3.226422 2.144776 1.096768 11.618736 9.847536 11.938309 12.021249 13.263808 11.635279 11.629540 13.021769 13.054345 7.379061 13.552683 13.767231 12.581292 10.416947 10.320184 11.551740 7.158761 7.072894 5.546675 6.859831 6.932068 3.469952 2.563175 0.000000 7.654364 9.463253 4.857689 11.166451 11.060293 9.748645 11.691769 11.781988 11.569232 8.940331 11.278965 6.875748 12.134036 10.306252 6.580862 5.673883 4.520953 5.126190 6.155945 3.226582 2.144791 1.096760 11.308971 9.276520 11.499123 11.382334 12.783058 11.595991 11.549088 12.867151 12.394493 7.596844 12.716465 12.888484 11.598740 9.618976 9.796715 10.924564 6.914211 7.262863 5.532698 7.030138 6.655674 3.468725 2.562321 1.755046 0.000000 7.246366 9.098110 5.203942 10.719289 10.843656 9.420862 11.194906 11.186190 11.515856 8.572901 11.431479 6.420381 12.411109 10.583826 6.483811 5.031070 4.118547 5.131753 5.173056 2.659846 2.160458 1.093511 11.118398 8.994327 10.853478 10.999448 12.286419 11.045701 10.802385 12.271114 12.287878 6.983708 13.082947 13.078348 11.971187 10.015617 9.962614 11.302121 7.016612 7.168419 4.355419 5.923990 5.784615 2.390633 3.107617 1.776517 1.776418 0.000000 C19H26O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 276.20149999999984 AuxInfo=1/0/N:4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;2;3;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/rA:48nO0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.1325,-.7059,.0009;1.1022,-.907,1.8786;-3.7686,1.7782,1.4704;3.4039,-1.5844,-.1968;3.5338,-.1729,.2869;2.1801,-.6503,-.2573;3.9852,-1.9615,-1.5467;3.4422,-2.7139,.8135;4.307,.8757,-.4387;1.0442,-.7742,.6692;4.0241,2.1861,-.4207;-1.3494,-.7795,.7954;4.8777,3.1889,-1.1511;2.8459,2.7673,.3152;-1.6881,.532,1.4976;-2.4923,-1.0337,-.1552;-3.4933,-.1239,-.0101;-3.096,.8568,1.0306;-2.4162,-2.1999,-1.0754;-4.7551,-.118,-.7421;-5.7356,.794,-.6448;-7.0068,.7406,-1.4315;3.5195,-.0755,1.37;1.9077,-.313,-1.2492;3.4646,-2.8348,-1.9523;3.9053,-1.1519,-2.2752;5.0443,-2.221,-1.4434;3.0408,-2.4179,1.7826;2.87,-3.5755,.4535;4.4783,-3.0378,.9585;5.176,.5386,-.9996;-1.2427,-1.6105,1.4971;5.2834,3.9332,-.4549;5.7136,2.7162,-1.6724;4.2815,3.7431,-1.8864;2.2001,3.3211,-.3771;2.2388,2.0132,.8175;3.185,3.4896,1.0677;-1.0139,1.3323,1.1801;-1.6497,.472,2.5862;-3.3379,-2.3664,-1.632;-2.1769,-3.1076,-.5098;-1.5996,-2.0557,-1.7915;-4.8958,-.9423,-1.4379;-5.6232,1.6297,.0373;-7.8752,.7032,-.7627;-7.1251,1.6464,-2.0386;-7.0448,-.1273,-2.0956; 0.4665240 0.1191082 0.1074024 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= 640 RedAO= T EigKep= 1.14D-06 NBF= 640 NBsUse= 638 1.00D-06 EigRej= 6.95D-07 NBFU= 638 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= 653 652 652 653 653 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -965.655694086453 -965.655694086 1 9.613282177708e+02 -5.787220379766e+03 2.090450392642e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323731410 LenY= 11323292504 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Using compressed storage, NAtomX= 48. Will process 49 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 9.8629, EpsInf= 2.0435) 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. 14928 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 11324620800 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 730000000 NMat= 144 IRICut= 360 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. There are 147 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 144 vectors produced by pass 0 Test12= 4.56D-14 1.00D-09 XBig12= 2.70D+02 7.24D+00. AX will form 144 AO Fock derivatives at one time. 144 vectors produced by pass 1 Test12= 4.56D-14 1.00D-09 XBig12= 2.99D+01 1.45D+00. 144 vectors produced by pass 2 Test12= 4.56D-14 1.00D-09 XBig12= 3.12D-01 4.88D-02. 144 vectors produced by pass 3 Test12= 4.56D-14 1.00D-09 XBig12= 1.24D-03 3.80D-03. 144 vectors produced by pass 4 Test12= 4.56D-14 1.00D-09 XBig12= 3.02D-06 1.45D-04. 117 vectors produced by pass 5 Test12= 4.56D-14 1.00D-09 XBig12= 4.83D-09 4.69D-06. 34 vectors produced by pass 6 Test12= 4.56D-14 1.00D-09 XBig12= 6.15D-12 1.63D-07. 3 vectors produced by pass 7 Test12= 4.56D-14 1.00D-09 XBig12= 6.93D-15 6.06D-09. InvSVY: IOpt=1 It= 1 EMax= 1.07D-14 Solved reduced A of dimension 874 with 147 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 332.75 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 387.034 -52.928 343.270 2.001 16.963 267.950 385.086 -66.184 370.930 -0.740 19.414 295.204 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT48162.900S 2025-01-27T15:15:49.000 -19.17335 -19.11874 -19.11730 -10.30892 -10.26696 -10.24309 -10.20798 -10.19804 -10.19098 -10.18585 -10.18309 -10.17710 -10.17682 -10.17564 -10.17302 -10.17046 -10.16069 -10.15981 -10.15821 -10.15688 -10.15632 -10.15502 -1.11312 -1.04992 -1.02692 -0.88460 -0.87146 -0.80699 -0.80179 -0.76248 -0.74726 -0.73259 -0.70830 -0.69027 -0.68776 -0.67932 -0.67179 -0.63106 -0.58416 -0.57394 -0.55520 -0.55215 -0.52554 -0.52368 -0.50290 -0.49432 -0.48507 -0.46982 -0.46118 -0.45913 -0.45169 -0.44499 -0.43525 -0.42888 -0.42679 -0.42249 -0.41878 -0.40987 -0.40844 -0.40277 -0.39789 -0.39722 -0.39453 -0.38438 -0.38020 -0.37797 -0.37548 -0.36717 -0.36606 -0.36293 -0.35733 -0.35149 -0.34630 -0.33339 -0.31914 -0.31503 -0.30162 -0.29044 -0.28147 -0.25922 -0.23468 -0.23395 -0.06272 -0.01889 -0.01518 0.00413 0.01259 0.01381 0.01747 0.02142 0.02577 0.03084 0.03582 0.04047 0.04356 0.04548 0.04828 0.05180 0.05580 0.05635 0.06100 0.06126 0.06544 0.06844 0.07155 0.07267 0.07594 0.08006 0.08149 0.08821 0.08992 0.09126 0.09355 0.09828 0.10127 0.10494 0.10604 0.11038 0.11099 0.11489 0.12170 0.12334 0.12893 0.13041 0.13532 0.13642 0.13926 0.14161 0.14596 0.14885 0.15022 0.15319 0.15800 0.16195 0.16438 0.16761 0.16936 0.17263 0.17370 0.17804 0.18086 0.18579 0.18925 0.19063 0.19268 0.19651 0.19786 0.19967 0.20286 0.20586 0.20648 0.21119 0.21320 0.21507 0.21665 0.22035 0.22260 0.22543 0.22729 0.23027 0.23075 0.23418 0.23607 0.23838 0.24092 0.24355 0.24673 0.25090 0.25205 0.25605 0.25800 0.26120 0.26411 0.26929 0.27034 0.27068 0.27160 0.27438 0.27881 0.28378 0.28574 0.28934 0.28943 0.29680 0.29809 0.30190 0.30486 0.30753 0.30855 0.31280 0.31440 0.31827 0.32178 0.32562 0.32966 0.33101 0.33339 0.34497 0.34624 0.35031 0.36451 0.36661 0.37061 0.37731 0.38121 0.38454 0.38978 0.39188 0.39548 0.40137 0.40886 0.41280 0.41846 0.42206 0.42844 0.43252 0.43703 0.44660 0.45346 0.45960 0.46105 0.46734 0.46796 0.47404 0.48396 0.48506 0.49316 0.50250 0.51682 0.52035 0.52689 0.52826 0.54007 0.54514 0.54707 0.55213 0.55706 0.56758 0.57046 0.57854 0.58323 0.58587 0.58861 0.59662 0.59692 0.60116 0.60879 0.61701 0.61945 0.62158 0.62380 0.62673 0.63543 0.63761 0.64393 0.64859 0.65078 0.65404 0.65738 0.66207 0.66430 0.66818 0.67068 0.67682 0.67820 0.67978 0.68667 0.69210 0.69912 0.70352 0.70543 0.71016 0.71468 0.71655 0.71757 0.72438 0.72494 0.73584 0.73681 0.74339 0.74471 0.74977 0.75378 0.75731 0.76264 0.76791 0.77119 0.77873 0.78622 0.79611 0.80224 0.80865 0.81463 0.81720 0.82322 0.83226 0.85815 0.86335 0.87074 0.88047 0.88373 0.90206 0.90571 0.91708 0.91822 0.93605 0.93897 0.94040 0.95301 0.96295 0.97177 0.97907 0.98602 0.99407 1.00499 1.00921 1.02984 1.03828 1.04768 1.05285 1.07805 1.08626 1.09197 1.09883 1.11105 1.11433 1.12779 1.12955 1.13810 1.14982 1.16676 1.18155 1.19394 1.20691 1.21583 1.22588 1.23410 1.25530 1.26861 1.27374 1.28595 1.30898 1.32387 1.33029 1.34030 1.34375 1.35384 1.35980 1.37857 1.38502 1.39641 1.40680 1.41513 1.41970 1.42965 1.44091 1.44614 1.44901 1.45431 1.46362 1.47081 1.47304 1.47775 1.48305 1.48757 1.49114 1.49281 1.50760 1.50919 1.51637 1.51962 1.53194 1.53521 1.54917 1.55196 1.56716 1.57003 1.57402 1.57598 1.57898 1.58331 1.58656 1.59874 1.60276 1.61565 1.62573 1.62967 1.63935 1.64247 1.64857 1.65513 1.66100 1.66901 1.67783 1.68761 1.68977 1.69446 1.70211 1.70840 1.71466 1.72479 1.72594 1.73023 1.73991 1.74420 1.74647 1.75569 1.76601 1.77435 1.77880 1.78705 1.78927 1.79787 1.80457 1.80867 1.81135 1.82167 1.83587 1.84031 1.85141 1.85833 1.87176 1.88173 1.89311 1.89428 1.90967 1.92258 1.93544 1.95055 1.95698 1.96115 1.97191 1.97526 1.98695 2.01300 2.01874 2.02826 2.03774 2.04941 2.05855 2.06598 2.06899 2.07496 2.08633 2.09829 2.09883 2.11442 2.11539 2.13200 2.14000 2.15445 2.16710 2.17033 2.17769 2.18442 2.18761 2.19299 2.20470 2.22440 2.24389 2.24937 2.26810 2.27447 2.29620 2.30640 2.32362 2.33484 2.35738 2.36564 2.37317 2.38002 2.40096 2.40648 2.41200 2.42533 2.44014 2.44650 2.45664 2.46402 2.46831 2.48162 2.48766 2.50085 2.50798 2.51721 2.52266 2.52425 2.52653 2.52927 2.53395 2.54046 2.55037 2.55232 2.56332 2.56949 2.57637 2.58311 2.58470 2.58804 2.59977 2.60445 2.61059 2.61593 2.63301 2.64369 2.64785 2.65586 2.66273 2.66704 2.68590 2.70572 2.70703 2.71873 2.71978 2.73555 2.75159 2.76214 2.76541 2.76945 2.78790 2.79475 2.80104 2.81148 2.82347 2.83275 2.85525 2.86218 2.87426 2.88080 2.89202 2.89983 2.91233 2.91914 2.92031 2.93749 2.94466 2.96268 2.97105 2.98173 2.98784 2.99133 2.99661 3.00666 3.01533 3.04360 3.06426 3.07820 3.09241 3.10021 3.12006 3.12484 3.13592 3.14752 3.16178 3.18393 3.19678 3.21963 3.23077 3.24695 3.25883 3.26751 3.28926 3.30338 3.32966 3.35240 3.36727 3.37980 3.46230 3.47965 3.55845 3.57677 3.58946 3.62769 3.66316 3.67413 3.67923 3.70763 3.76647 3.76709 3.79194 3.79556 3.80511 3.81852 3.82399 3.83725 3.84304 3.84539 3.84641 3.84710 3.85713 3.86615 3.89734 3.95982 4.04927 4.08812 4.15271 4.19032 4.23366 4.27338 4.28322 4.31621 4.32148 4.35908 4.51678 4.55732 4.57464 4.60389 5.06756 5.09856 5.13561 5.22896 5.30177 5.40882 5.66519 5.73781 5.89924 23.63145 23.70324 23.81193 23.81451 23.83789 23.86695 23.87969 23.88620 23.93201 23.94888 23.96564 23.97350 23.98429 23.99449 23.99802 24.00936 24.15070 24.24036 24.26704 49.93611 50.01973 50.02939 1-A. Mulliken charges: 1 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 O O O C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H 0.141164 -0.291561 -0.385728 0.598038 -0.251686 0.415900 -0.508072 -0.548475 -0.453841 -0.882843 0.552950 -0.444214 -0.562508 -0.801189 -0.365290 0.413836 0.853499 -0.311534 -0.522992 -0.294612 -0.132632 -0.682953 0.192189 0.183102 0.160418 0.155440 0.160715 0.154759 0.155482 0.158517 0.143382 0.227711 0.159134 0.149222 0.155877 0.166616 0.167644 0.165872 0.242168 0.224668 0.168471 0.182106 0.191410 0.150330 0.172762 0.164949 0.163887 0.147912 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 O O O C C C C C C C C C C C C C C C C C C C 0.141164 -0.291561 -0.385728 0.598038 -0.059497 0.599002 -0.031500 -0.079716 -0.310459 -0.882843 0.552950 -0.216503 -0.098274 -0.301057 0.101546 0.413836 0.853499 -0.311534 0.018995 -0.144281 0.040130 -0.206206 0.00000 8.45081609e-01 -1.25676362e+00 -1.83731805e+00 3.87033660e+02 -5.29275696e+01 3.43269743e+02 2.00147713e+00 1.69626714e+01 2.67950320e+02 -6.6185 -4.1329 -0.0003 0.0004 0.0008 3.9296 12.7730 18.3949 27.6800 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 11.3129 18.1650 27.6038 31.8062 49.1666 61.1495 82.9032 93.4129 105.7963 113.9480 120.4579 127.7917 144.6896 154.9247 158.7479 172.7397 196.5209 200.3416 206.2602 231.9678 243.0569 269.7907 293.2885 297.0790 312.9247 334.7748 350.7668 358.2981 383.5595 398.5415 420.1801 438.4287 471.5068 479.2718 516.5091 538.9895 572.2485 573.4288 591.5302 630.9073 656.5099 709.8575 730.7931 778.1507 788.3037 825.7549 830.1980 836.9720 855.1879 875.7140 926.4695 940.5134 953.0064 965.6330 975.5560 979.3232 992.4044 1002.2060 1005.0053 1007.6306 1025.0763 1040.6681 1050.5896 1056.0469 1066.3950 1068.9001 1083.8352 1098.4915 1100.5415 1104.2145 1132.1119 1135.8499 1158.9037 1168.2354 1188.8362 1213.1527 1214.3963 1245.6935 1272.5305 1309.7721 1321.4258 1323.9000 1352.4141 1357.6734 1363.2142 1368.1152 1378.4394 1403.3812 1407.8632 1410.4764 1411.0996 1413.0894 1420.7414 1430.2574 1447.5319 1460.0900 1461.7314 1461.9067 1469.1608 1471.8558 1471.9626 1477.9587 1479.7256 1479.7785 1480.5282 1494.7043 1501.7236 1635.2321 1701.6066 1705.7571 1708.2392 1710.7631 3002.0681 3004.6593 3008.9946 3016.2126 3020.5424 3021.5985 3045.3014 3047.5400 3048.7217 3061.4584 3065.2461 3067.1390 3069.6694 3074.3809 3086.3351 3091.2988 3099.7948 3112.6915 3113.3154 3115.8657 3123.5781 3126.7293 3126.7775 3132.5909 3177.8777 3178.3490 4.3123 3.3012 3.4120 4.2185 4.3925 2.4419 3.8240 1.7581 2.4443 1.3806 1.3823 2.2475 2.9398 2.7212 2.5267 2.3311 1.3723 1.4820 1.3437 1.7894 2.2898 1.9269 2.5206 3.0434 4.5377 3.8831 2.9622 3.3310 3.5351 2.5045 2.4601 4.4868 2.7961 3.1746 2.8505 2.4774 4.7915 3.2246 3.5333 3.8126 4.5209 4.1771 3.9109 3.5883 5.0943 1.9979 2.7039 1.7118 3.6386 2.9718 2.7489 2.4612 1.6791 1.3996 1.7969 1.6531 1.7180 1.1299 1.2735 1.6410 2.5407 1.9921 1.7543 1.8664 1.5733 2.7270 1.6993 1.6482 1.6706 2.7528 1.9264 2.3248 2.0365 2.5864 1.3689 2.2396 1.9474 2.1917 1.6736 1.7798 1.5870 1.6548 1.4091 1.3004 1.4115 2.3722 1.4947 1.2552 1.4038 1.2308 1.5941 1.3542 1.2353 1.1117 2.0317 1.0645 1.0461 1.0443 1.0889 1.0783 1.0526 1.0448 1.1039 1.0469 1.0494 1.0455 1.2632 6.7742 6.0397 10.6897 6.7669 11.7530 1.0382 1.0370 1.0408 1.0379 1.0388 1.0404 1.0998 1.0991 1.0990 1.0631 1.0938 1.0895 1.1020 1.1014 1.1016 1.1005 1.1008 1.0907 1.1013 1.0938 1.0967 1.0883 1.0939 1.0930 1.0890 1.0888 0.0003 0.0006 0.0015 0.0025 0.0063 0.0054 0.0155 0.0090 0.0161 0.0106 0.0118 0.0216 0.0363 0.0385 0.0375 0.0410 0.0312 0.0350 0.0337 0.0567 0.0797 0.0826 0.1277 0.1583 0.2618 0.2564 0.2147 0.2519 0.3064 0.2344 0.2559 0.5081 0.3663 0.4296 0.4480 0.4240 0.9245 0.6247 0.7284 0.8941 1.1480 1.2401 1.2306 1.2802 1.8652 0.8026 1.0980 0.7065 1.5679 1.3427 1.3902 1.2827 0.8985 0.7689 1.0076 0.9341 0.9969 0.6687 0.7579 0.9817 1.5729 1.2711 1.1409 1.2264 1.0541 1.8357 1.1761 1.1718 1.1922 1.9776 1.4547 1.7671 1.6115 2.0797 1.1399 1.9420 1.6921 2.0038 1.5968 1.7989 1.6328 1.7088 1.5185 1.4122 1.5454 2.6161 1.6733 1.4565 1.6394 1.4427 1.8702 1.5933 1.4691 1.3399 2.5083 1.3371 1.3169 1.3149 1.3847 1.3763 1.3437 1.3447 1.4242 1.3507 1.3553 1.3762 1.6784 10.6725 10.3035 18.3252 11.6343 20.2664 5.5126 5.5161 5.5519 5.5630 5.5841 5.5965 6.0093 6.0146 6.0187 5.8707 6.0552 6.0389 6.1179 6.1335 6.1822 6.1963 6.2320 6.2263 6.2892 6.2569 6.3044 6.2689 6.3009 6.3193 6.4798 6.4802 0.4369 2.4728 0.3814 1.1060 5.2249 3.5154 2.7854 0.1246 3.3263 0.5725 2.2173 0.1398 2.5825 1.6531 2.4175 0.3477 0.1550 2.1836 0.8411 5.6441 3.4583 1.0190 7.4853 0.4653 11.8398 4.8181 2.7374 1.2169 20.7245 0.1205 5.6593 13.8398 0.8670 5.0870 4.4293 0.6454 3.6487 9.2532 1.9315 2.7713 2.5302 15.4169 13.9122 9.8346 26.9621 16.0405 20.0563 2.3010 76.8955 2.1291 34.8187 7.9525 147.7235 0.5726 7.9199 38.7271 5.8800 62.0270 23.4221 94.8595 10.0896 86.1388 1.5093 21.6168 2.3203 14.1585 92.7009 23.1436 11.8374 42.1247 350.3236 21.6655 27.7035 669.9743 8.8860 25.4657 12.6410 93.4508 14.2185 66.7828 51.8195 36.3492 88.2755 10.1855 67.4896 54.8452 36.3895 3.7827 7.1975 4.0888 78.9842 19.1709 6.1051 9.7491 133.0181 28.3429 2.4678 16.8485 39.0547 20.4303 11.2280 3.4668 10.4845 16.7801 14.8436 21.2445 13.3993 230.3036 89.1252 419.3944 15.6693 721.1707 37.8824 40.3281 67.6683 23.8575 79.0018 15.6404 11.6099 23.2150 50.8396 4.2798 1.6088 21.0827 21.8325 70.8876 31.6592 38.8716 42.5152 10.6330 5.1491 22.3227 15.9075 39.2028 0.9798 39.6265 3.3947 3.6728 -0.00 0.09 -0.01 -0.01 0.10 -0.01 -0.11 -0.04 0.01 -0.05 0.00 -0.03 0.02 -0.01 -0.01 -0.00 0.07 -0.01 -0.07 -0.00 -0.04 -0.11 -0.02 -0.05 0.08 -0.04 0.01 -0.00 0.09 -0.01 0.16 -0.03 0.03 -0.00 0.07 -0.02 0.22 -0.06 0.06 0.19 0.03 0.04 -0.04 0.07 -0.03 0.00 0.03 -0.01 -0.04 -0.02 0.00 -0.07 0.00 -0.00 0.04 0.03 -0.01 -0.04 -0.07 0.02 -0.08 -0.11 0.03 -0.09 -0.17 0.04 0.03 -0.03 -0.00 0.01 0.09 -0.00 -0.12 0.03 -0.06 -0.03 0.02 -0.02 -0.09 -0.07 -0.05 -0.09 -0.01 -0.05 -0.15 0.02 -0.07 -0.12 -0.08 -0.06 0.07 -0.08 0.01 0.01 0.09 -0.00 0.25 -0.10 0.07 0.20 -0.10 0.06 0.26 -0.02 0.06 0.24 0.11 0.05 0.12 0.05 -0.01 0.23 -0.03 0.08 -0.09 0.10 -0.08 -0.00 0.10 -0.03 0.04 -0.01 0.00 0.09 0.04 -0.01 0.03 0.07 -0.02 -0.02 -0.08 0.02 -0.11 -0.11 0.02 -0.08 -0.21 0.05 -0.14 -0.18 0.04 -0.06 -0.18 0.04 -0.02 -0.04 0.01 0.02 0.00 -0.01 0.06 0.10 -0.12 -0.01 -0.01 -0.05 -0.02 0.00 -0.07 -0.03 -0.03 -0.04 -0.03 -0.02 -0.05 0.03 0.01 -0.03 -0.06 0.02 -0.09 -0.01 -0.02 -0.01 -0.00 0.03 0.05 -0.01 -0.00 0.03 -0.04 0.05 0.04 0.11 0.02 0.25 0.01 0.04 -0.03 -0.02 -0.04 0.06 0.00 -0.01 0.01 0.03 0.05 -0.06 -0.05 -0.10 0.14 -0.00 -0.03 0.01 0.01 -0.00 -0.04 0.01 -0.03 -0.03 -0.01 0.02 -0.07 -0.05 -0.05 -0.04 -0.02 -0.04 -0.02 -0.07 -0.04 -0.07 -0.02 0.01 -0.07 0.04 0.02 -0.03 0.04 -0.00 -0.00 0.04 0.03 -0.04 -0.15 0.02 -0.22 0.00 0.03 0.07 0.06 -0.02 0.05 -0.12 0.06 -0.09 -0.10 0.13 0.15 0.10 0.18 0.39 0.09 -0.01 0.18 0.24 -0.13 0.33 0.04 0.01 -0.04 -0.01 0.08 -0.02 -0.05 -0.11 0.14 -0.09 -0.07 0.20 -0.04 -0.17 0.13 -0.02 -0.07 0.06 0.03 0.03 -0.09 0.01 0.03 -0.02 0.03 -0.06 -0.08 -0.01 -0.07 0.02 0.01 -0.04 -0.08 -0.03 0.02 -0.05 0.00 -0.04 0.04 0.05 -0.02 0.08 -0.01 0.02 -0.02 0.01 -0.07 -0.03 0.10 -0.10 0.12 0.06 0.06 0.16 -0.04 0.01 -0.06 -0.01 -0.03 -0.05 0.00 0.01 -0.00 -0.00 0.00 -0.09 -0.02 0.01 -0.04 0.08 0.03 0.11 0.03 0.01 -0.08 -0.01 0.03 -0.09 -0.02 0.02 -0.03 0.00 -0.01 -0.02 -0.02 0.06 -0.13 -0.04 0.03 0.01 -0.06 -0.00 0.09 -0.09 0.00 0.13 -0.06 0.10 -0.03 0.04 -0.15 -0.06 0.16 -0.16 0.18 0.07 -0.17 0.05 0.11 -0.03 0.17 0.02 0.11 0.13 0.11 0.01 0.21 0.07 0.11 0.21 -0.10 -0.01 -0.14 -0.03 -0.00 -0.09 0.04 -0.01 -0.05 -0.07 0.00 -0.10 -0.06 0.04 0.01 0.08 0.13 0.19 0.05 0.02 0.06 0.16 -0.07 0.16 0.00 0.00 -0.14 0.09 0.02 -0.09 -0.03 0.07 -0.11 0.00 0.05 -0.17 -0.04 0.10 -0.15 -0.04 0.06 -0.03 -0.06 -0.04 0.13 -0.06 -0.06 0.17 -0.14 0.04 0.19 -0.09 0.04 0.08 0.02 0.01 -0.03 -0.00 -0.08 -0.03 0.07 0.15 -0.14 0.03 -0.02 -0.01 0.02 -0.04 0.05 0.03 -0.02 -0.00 0.07 0.04 -0.01 0.01 -0.06 -0.05 0.03 -0.01 0.11 0.02 -0.04 -0.02 -0.04 -0.02 0.06 0.02 0.07 -0.04 -0.03 0.01 0.12 -0.14 -0.07 -0.06 0.05 0.11 -0.10 0.01 0.04 -0.02 0.01 0.05 -0.03 0.05 0.10 -0.09 -0.02 0.00 0.03 -0.02 -0.00 0.02 -0.07 -0.06 0.09 -0.11 -0.12 0.16 -0.01 -0.08 0.05 0.05 0.01 0.01 0.08 0.06 -0.06 0.10 0.07 0.03 0.07 0.03 0.01 -0.02 -0.11 -0.05 0.03 -0.05 -0.11 0.01 -0.06 -0.04 0.10 0.03 0.20 -0.00 0.10 0.00 -0.12 0.04 0.15 0.03 0.05 0.19 0.00 -0.02 0.07 -0.15 -0.20 -0.15 -0.10 -0.09 -0.03 -0.26 0.03 -0.10 0.06 0.08 -0.15 0.06 0.17 -0.10 -0.02 -0.00 0.04 -0.04 0.02 0.07 -0.01 -0.05 0.03 -0.01 -0.00 0.02 -0.08 -0.06 0.09 -0.07 -0.20 0.21 -0.21 -0.12 0.19 -0.09 -0.11 0.14 0.04 0.12 0.05 0.05 -0.11 0.02 -0.14 -0.04 0.10 0.03 -0.06 -0.02 0.04 -0.06 -0.02 0.03 -0.07 0.01 -0.00 -0.06 -0.03 0.07 -0.05 -0.02 -0.03 -0.03 -0.05 0.04 -0.03 0.03 -0.07 -0.04 -0.01 0.03 0.15 0.03 -0.17 0.00 -0.06 -0.03 -0.09 0.10 -0.01 0.17 -0.03 0.05 0.10 0.01 0.00 0.05 0.01 -0.06 0.05 0.04 0.12 0.12 -0.01 0.01 -0.01 -0.00 -0.00 -0.02 -0.07 0.02 -0.08 -0.10 0.07 -0.06 -0.02 0.01 -0.06 0.02 -0.01 -0.06 -0.02 -0.03 -0.06 -0.03 0.00 -0.05 -0.06 0.10 -0.06 -0.01 0.07 -0.06 0.00 0.08 -0.05 -0.05 -0.06 0.00 -0.12 0.01 0.18 0.06 -0.14 0.01 -0.09 -0.19 0.04 -0.14 -0.25 -0.01 -0.01 -0.11 -0.12 0.15 0.04 -0.11 0.15 0.00 -0.07 0.07 -0.08 0.19 -0.15 0.08 0.25 -0.03 0.11 0.04 0.03 0.23 0.13 -0.03 0.07 0.21 -0.04 0.04 -0.04 0.03 -0.03 0.02 -0.11 -0.00 -0.05 -0.12 0.02 -0.12 -0.16 0.05 -0.12 -0.05 -0.00 -0.04 -0.05 -0.00 0.04 -0.05 -0.05 -0.07 0.09 0.02 -0.00 -0.00 -0.01 0.00 -0.01 0.01 -0.02 -0.04 0.07 0.00 0.02 0.01 0.00 0.00 0.01 0.01 0.02 -0.00 -0.01 -0.05 0.01 0.01 0.02 0.01 0.03 -0.03 0.05 0.02 0.08 -0.04 -0.00 -0.04 0.05 0.08 -0.11 -0.03 -0.02 0.03 -0.03 -0.03 0.04 -0.02 -0.01 0.02 -0.05 -0.06 0.07 -0.06 -0.06 0.09 0.04 0.07 -0.07 0.02 0.06 -0.02 -0.05 0.01 -0.01 0.02 -0.03 -0.05 0.10 -0.01 0.00 0.08 0.00 0.01 0.07 0.02 0.05 -0.04 -0.00 -0.01 0.04 -0.01 -0.02 0.01 0.02 0.04 0.04 0.01 0.07 0.01 0.08 0.03 0.01 0.00 0.12 0.07 0.02 0.12 0.09 0.03 0.06 -0.00 -0.01 -0.08 -0.06 -0.01 -0.07 -0.08 0.00 -0.02 -0.02 0.07 -0.28 0.18 0.20 -0.11 -0.10 -0.12 0.16 0.04 -0.02 0.09 -0.13 -0.05 -0.01 -0.17 -0.19 0.26 0.16 0.20 -0.25 0.03 0.34 0.00 0.13 -0.07 -0.24 -0.12 -0.09 0.18 0.04 -0.06 -0.03 0.01 0.29 0.03 0.04 -0.03 0.01 -0.03 -0.03 -0.01 0.05 -0.04 0.01 0.03 0.06 0.01 -0.07 -0.06 -0.02 -0.14 -0.04 -0.02 0.03 -0.02 0.02 0.02 0.11 0.01 -0.04 -0.03 0.04 0.03 -0.02 -0.03 -0.15 0.03 -0.00 -0.05 -0.11 0.09 0.06 -0.00 -0.06 0.03 -0.02 -0.03 0.03 -0.02 -0.02 0.04 -0.02 -0.02 0.03 -0.01 -0.04 0.02 -0.01 -0.00 0.04 0.00 0.01 0.02 0.01 0.04 0.07 -0.06 0.01 0.05 0.08 0.01 -0.17 0.01 -0.04 0.02 -0.03 0.00 -0.10 -0.18 -0.02 -0.14 -0.01 -0.03 -0.20 0.01 -0.04 -0.17 -0.12 0.01 0.02 0.02 -0.02 0.01 -0.01 -0.01 -0.13 0.03 -0.02 -0.17 0.08 -0.09 -0.25 0.01 0.06 -0.25 -0.38 0.06 0.16 -0.11 0.34 -0.08 0.12 -0.11 0.04 -0.01 -0.11 0.10 0.04 -0.06 0.02 -0.02 -0.02 0.07 -0.01 -0.06 0.00 0.02 -0.07 0.01 -0.01 0.01 0.06 0.00 0.01 0.03 0.02 0.06 0.02 0.01 0.04 -0.00 0.01 0.04 -0.00 -0.02 -0.01 0.02 0.05 -0.01 -0.04 -0.05 0.07 0.01 -0.01 -0.01 -0.01 -0.00 -0.03 -0.00 -0.02 -0.03 0.02 -0.02 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.02 0.00 0.00 -0.02 -0.01 -0.00 -0.00 0.00 0.02 0.01 0.02 0.02 0.05 -0.03 -0.02 -0.02 0.02 0.05 -0.04 -0.00 0.00 0.02 0.01 0.02 -0.01 -0.01 0.00 0.01 -0.04 -0.06 0.09 0.05 0.06 -0.08 -0.04 -0.05 0.06 0.03 0.03 -0.06 -0.02 0.00 -0.03 -0.00 -0.04 -0.04 0.03 -0.03 0.00 0.02 -0.03 -0.01 0.02 -0.01 0.01 -0.01 0.01 -0.01 0.03 -0.01 0.01 0.01 0.02 0.02 0.01 0.01 -0.00 0.00 0.05 0.04 0.00 -0.01 0.09 0.03 0.03 0.06 0.04 0.05 0.05 0.00 0.01 -0.03 -0.05 -0.03 -0.07 -0.05 -0.04 0.01 -0.01 0.04 -0.13 0.09 0.11 -0.04 0.02 0.05 -0.04 -0.26 -0.06 0.18 0.10 -0.23 0.21 0.17 0.20 -0.27 -0.17 -0.20 0.27 -0.02 -0.27 -0.14 -0.03 0.19 0.20 0.19 0.22 -0.31 -0.01 0.06 -0.00 0.03 0.08 -0.04 0.04 0.05 -0.02 -0.01 -0.04 -0.02 -0.02 -0.01 -0.09 -0.01 -0.04 -0.07 -0.00 -0.11 0.01 -0.00 0.02 0.05 -0.02 -0.01 -0.07 0.00 0.04 -0.04 -0.04 -0.01 -0.02 0.01 -0.00 0.03 0.03 0.06 0.15 -0.09 -0.06 -0.05 -0.02 -0.04 0.09 0.01 0.01 0.03 0.01 0.00 0.04 0.01 0.01 0.03 0.04 0.06 -0.03 0.02 -0.01 0.03 0.01 -0.02 -0.00 0.03 -0.05 -0.03 -0.04 0.02 -0.09 -0.02 -0.10 -0.09 -0.01 -0.12 0.04 0.02 -0.14 -0.03 -0.01 -0.12 0.03 -0.02 0.07 0.03 0.01 -0.01 0.09 -0.00 0.04 0.08 0.01 0.02 -0.03 0.05 -0.03 -0.02 -0.04 -0.01 0.26 0.08 0.10 0.18 0.10 0.13 0.14 0.08 0.17 -0.01 -0.24 -0.12 -0.32 -0.12 -0.28 0.17 0.01 -0.03 0.21 -0.10 -0.13 0.09 -0.01 -0.05 0.09 0.26 0.06 -0.11 -0.09 0.21 -0.14 0.03 -0.02 0.03 -0.02 -0.00 -0.02 0.01 -0.04 -0.06 0.03 -0.07 -0.06 0.05 -0.07 -0.01 0.01 -0.08 0.03 -0.00 0.02 0.05 0.00 -0.02 0.01 -0.01 0.01 0.00 0.01 -0.00 0.02 0.00 0.01 0.05 -0.05 0.03 -0.02 0.00 -0.01 -0.02 -0.00 0.00 0.01 0.00 -0.01 0.05 -0.02 -0.00 -0.02 -0.00 -0.01 0.00 -0.02 -0.01 -0.03 -0.01 0.00 -0.01 0.03 0.03 -0.06 0.01 -0.00 -0.01 0.01 0.00 -0.02 0.01 0.00 -0.02 0.01 0.01 -0.03 0.01 0.00 -0.01 0.01 0.00 -0.00 -0.00 0.01 0.02 0.04 -0.02 0.03 -0.01 0.03 0.06 -0.08 0.06 -0.04 -0.04 0.05 0.00 -0.05 -0.00 -0.06 0.01 -0.03 -0.01 -0.01 -0.00 -0.03 -0.00 -0.02 -0.04 0.01 0.00 0.04 -0.05 0.01 0.04 -0.15 0.09 -0.06 0.07 0.01 0.11 0.01 -0.13 -0.14 0.25 0.45 0.11 -0.28 -0.04 -0.40 0.04 -0.38 0.34 0.01 0.01 -0.15 0.09 0.11 -0.05 -0.01 -0.02 0.02 0.08 0.01 -0.05 -0.03 0.05 -0.07 0.00 0.01 -0.01 0.02 0.00 0.00 0.01 -0.01 0.03 -0.02 0.01 0.03 -0.01 0.01 0.01 -0.01 -0.09 0.02 -0.00 0.00 0.03 0.02 0.02 0.00 -0.01 0.01 -0.01 -0.02 0.01 -0.01 -0.02 -0.01 0.01 -0.02 0.02 -0.02 0.04 0.01 -0.01 -0.02 0.01 -0.01 -0.01 -0.03 0.02 0.01 0.01 0.00 -0.01 -0.01 0.02 0.04 -0.00 0.02 0.01 0.03 -0.01 0.03 0.03 -0.03 -0.02 -0.01 0.02 -0.01 0.00 0.02 0.01 0.01 0.00 -0.01 0.03 -0.03 0.01 0.01 -0.01 -0.02 -0.02 0.02 0.02 -0.01 -0.04 -0.01 0.00 -0.01 -0.04 -0.02 0.01 -0.02 0.01 -0.01 -0.05 0.02 -0.01 -0.02 0.04 -0.04 0.03 -0.01 -0.01 0.07 -0.01 -0.00 0.05 0.04 -0.01 -0.03 -0.00 -0.01 -0.05 0.01 0.05 0.11 -0.07 0.04 -0.01 -0.03 -0.04 0.04 0.07 0.07 -0.08 -0.14 -0.06 0.10 0.06 0.14 -0.01 0.18 -0.15 0.01 0.00 -0.12 0.08 0.10 -0.03 -0.16 -0.21 0.29 0.45 0.08 -0.14 -0.31 0.29 -0.32 0.06 0.06 -0.07 -0.08 -0.07 0.08 -0.02 -0.12 -0.09 0.00 0.05 0.04 0.09 0.05 -0.13 -0.01 0.07 -0.06 -0.02 -0.01 -0.08 0.03 0.02 0.01 0.00 0.01 0.01 -0.00 -0.00 0.05 0.02 0.03 -0.04 0.12 0.04 0.06 -0.11 -0.04 -0.03 0.02 -0.01 0.07 -0.01 0.02 -0.07 -0.00 -0.01 0.02 0.02 0.01 -0.01 -0.07 -0.04 -0.09 0.02 0.00 0.05 0.01 -0.02 0.03 -0.01 -0.01 0.03 -0.01 -0.01 0.05 0.01 0.00 0.03 -0.04 -0.02 0.04 0.01 -0.00 0.03 -0.02 -0.04 0.04 0.04 -0.00 -0.07 -0.07 -0.01 0.05 0.07 0.06 -0.04 0.20 0.02 0.01 0.14 0.04 0.05 0.13 0.09 0.14 -0.13 -0.05 -0.03 -0.16 0.02 -0.10 -0.14 -0.12 -0.00 0.01 -0.01 0.06 0.08 -0.00 -0.04 -0.16 0.11 -0.20 -0.00 -0.04 0.01 -0.10 -0.22 -0.20 0.09 0.15 0.10 -0.05 -0.00 -0.05 0.07 -0.12 0.14 0.01 0.00 0.08 -0.01 -0.07 0.03 -0.14 -0.18 0.26 0.25 0.03 0.00 -0.23 0.10 -0.16 0.06 0.04 -0.04 -0.08 -0.08 0.11 -0.02 -0.09 -0.14 0.07 0.05 0.00 0.12 0.05 -0.15 0.01 0.10 0.01 0.01 -0.04 -0.00 -0.09 -0.04 -0.12 0.01 -0.00 0.00 0.03 -0.00 -0.01 0.02 0.01 0.01 -0.03 -0.03 -0.00 0.02 0.01 0.02 0.02 0.00 -0.01 0.02 0.02 0.01 0.01 -0.00 -0.00 0.01 0.03 0.00 -0.01 0.02 0.02 -0.01 -0.03 -0.00 -0.07 0.02 -0.02 0.02 -0.06 0.01 -0.02 -0.10 -0.03 -0.06 -0.04 -0.06 0.09 -0.08 0.04 -0.02 -0.07 -0.04 0.03 -0.02 0.07 0.00 0.22 0.11 0.05 0.00 -0.01 0.02 0.01 0.01 -0.07 -0.01 0.01 -0.01 -0.03 -0.00 -0.04 -0.08 -0.02 0.06 0.04 0.03 -0.01 0.02 0.06 0.02 -0.00 -0.01 0.03 0.01 -0.01 0.06 0.05 0.01 -0.02 0.02 0.03 0.01 0.05 0.01 -0.01 0.03 0.02 -0.00 -0.02 0.00 -0.01 -0.04 -0.03 -0.02 -0.04 0.02 -0.09 0.05 -0.01 -0.10 0.03 -0.02 0.01 -0.29 0.23 0.40 -0.01 0.03 -0.09 0.07 -0.13 -0.04 -0.02 -0.10 0.11 -0.11 0.15 0.02 0.19 0.14 0.06 0.34 0.28 -0.11 0.34 -0.05 -0.01 -0.02 0.03 0.02 0.15 0.04 -0.02 0.05 -0.07 0.04 -0.02 -0.03 -0.01 -0.04 0.00 0.00 -0.06 -0.01 0.11 0.08 -0.03 0.14 -0.05 -0.06 0.00 -0.04 0.02 0.00 0.02 0.02 0.01 -0.04 0.01 -0.03 -0.00 0.02 -0.00 -0.06 -0.02 0.01 -0.03 0.02 -0.05 -0.01 0.02 -0.03 -0.01 0.01 -0.07 -0.05 0.05 -0.05 -0.01 0.01 0.02 0.05 -0.05 -0.07 -0.04 0.05 -0.06 -0.03 0.05 -0.01 0.07 -0.05 -0.02 -0.05 0.00 -0.01 -0.06 -0.01 0.24 0.02 -0.06 0.02 0.09 -0.01 0.14 0.22 -0.01 -0.13 -0.18 -0.13 0.44 -0.19 -0.20 0.20 0.22 0.13 0.01 -0.04 0.02 -0.04 -0.00 0.03 -0.04 -0.01 -0.06 0.02 -0.07 0.02 -0.00 -0.11 -0.07 0.01 -0.02 0.02 0.01 -0.03 0.01 0.02 -0.04 0.02 -0.05 0.00 0.04 -0.07 -0.01 0.02 0.08 0.15 -0.19 -0.13 -0.01 -0.08 0.13 0.04 0.08 -0.05 -0.01 0.01 -0.07 -0.07 0.09 -0.07 0.17 -0.13 0.15 0.07 -0.08 -0.03 0.06 -0.04 0.01 -0.02 -0.02 -0.01 -0.08 -0.01 0.06 0.05 -0.04 -0.02 0.01 0.01 0.01 0.02 0.00 0.00 0.03 0.01 -0.07 -0.04 0.01 -0.06 0.02 0.03 0.00 0.02 -0.01 0.00 -0.02 -0.00 -0.00 0.02 -0.01 0.02 0.01 -0.02 0.00 0.03 0.01 -0.00 0.02 -0.01 0.05 0.04 -0.06 0.00 -0.01 0.01 -0.04 -0.07 0.10 0.01 -0.01 0.01 0.05 0.06 -0.07 -0.05 -0.08 0.11 -0.05 -0.09 0.11 0.07 0.05 -0.10 0.02 0.02 0.00 0.00 0.03 0.01 -0.15 0.00 0.02 -0.01 -0.04 0.01 -0.09 -0.13 -0.01 0.08 0.09 0.07 -0.23 0.10 0.11 -0.10 -0.12 -0.08 0.00 0.02 -0.01 0.01 0.03 0.01 0.02 0.01 0.03 -0.01 0.03 -0.01 0.00 0.06 0.03 -0.00 0.02 -0.01 -0.00 0.02 -0.01 -0.01 0.02 -0.01 0.01 0.02 -0.18 0.14 0.11 -0.06 0.15 0.22 -0.29 -0.19 -0.02 -0.10 0.23 0.02 0.13 -0.01 -0.02 0.03 -0.11 -0.14 0.19 -0.07 0.22 -0.27 0.33 0.05 -0.16 0.07 0.04 -0.08 0.02 0.05 -0.04 -0.04 -0.02 -0.01 0.02 0.01 0.02 0.03 0.01 0.01 0.08 -0.00 0.01 0.05 0.04 0.05 -0.11 -0.04 -0.04 0.14 0.05 0.05 0.09 0.00 0.02 0.01 0.03 -0.00 0.05 -0.01 0.02 0.00 -0.00 -0.06 -0.02 0.03 -0.01 0.02 -0.07 0.01 -0.01 -0.04 0.00 -0.03 0.01 -0.03 -0.03 0.01 0.01 0.00 0.00 0.01 -0.13 -0.03 0.02 -0.04 0.02 0.02 -0.06 -0.01 0.01 -0.02 -0.02 -0.06 0.13 -0.04 0.02 0.07 0.05 0.04 -0.33 0.09 -0.06 0.02 0.02 0.01 -0.16 -0.28 -0.12 0.05 0.04 0.02 0.28 -0.05 0.07 0.18 0.21 0.11 0.11 0.01 0.04 0.02 -0.03 -0.09 -0.23 0.19 -0.06 0.11 0.10 0.15 -0.03 -0.17 -0.15 -0.01 -0.09 0.01 0.05 -0.10 0.01 -0.02 -0.06 0.02 0.01 -0.02 0.08 -0.03 -0.11 0.00 -0.20 -0.06 0.14 -0.07 -0.00 0.04 -0.22 -0.07 -0.09 -0.02 0.03 0.00 -0.10 -0.01 0.03 -0.06 0.03 -0.12 0.04 -0.04 -0.11 0.01 -0.04 -0.03 -0.02 -0.01 -0.01 -0.00 -0.00 -0.03 0.00 0.00 -0.00 -0.03 -0.01 -0.01 -0.05 -0.00 -0.02 -0.03 -0.03 -0.04 -0.04 -0.03 -0.01 0.00 0.01 0.01 -0.03 0.01 0.02 -0.02 -0.01 -0.03 0.01 0.02 0.05 0.00 0.00 0.02 0.01 -0.01 0.00 0.01 0.06 0.02 0.01 0.02 -0.00 0.01 -0.01 0.02 0.01 -0.01 0.01 0.01 -0.00 0.01 0.07 0.02 -0.00 0.02 -0.02 0.01 0.04 0.01 -0.02 0.02 -0.00 0.02 -0.09 -0.00 -0.02 -0.04 -0.05 -0.05 -0.11 0.01 -0.02 0.03 -0.02 0.00 -0.06 -0.12 -0.00 -0.11 -0.02 -0.03 0.13 -0.06 -0.02 0.03 0.13 0.11 -0.04 0.01 0.02 0.01 0.02 0.03 -0.35 0.28 -0.11 0.25 0.01 0.37 0.09 -0.36 -0.33 -0.04 -0.06 -0.02 0.06 0.09 0.14 0.01 0.17 -0.08 0.00 0.01 -0.04 0.03 0.05 -0.00 0.11 0.03 -0.07 0.03 0.00 -0.02 0.12 0.04 0.06 -0.00 -0.04 0.04 0.07 0.03 -0.05 0.05 -0.15 0.06 -0.09 0.05 0.12 0.06 0.06 -0.06 -0.00 0.05 -0.05 -0.06 -0.00 -0.02 0.03 -0.01 0.01 -0.02 -0.00 0.01 -0.03 -0.01 0.03 -0.02 0.00 0.01 -0.06 0.01 -0.00 0.02 -0.01 0.01 -0.04 -0.01 0.04 -0.03 0.01 -0.03 -0.04 -0.01 0.00 0.02 0.02 -0.02 -0.00 -0.05 -0.01 -0.02 0.04 -0.00 0.03 0.01 -0.01 0.02 -0.00 -0.00 0.03 -0.01 0.00 0.03 -0.00 0.00 0.04 -0.01 0.01 0.03 -0.01 0.01 0.03 -0.01 0.01 0.04 -0.01 0.01 -0.05 -0.02 0.04 0.01 0.01 0.00 -0.21 0.14 -0.09 0.11 0.09 0.07 -0.11 -0.20 -0.01 -0.31 -0.13 -0.09 0.35 -0.16 -0.16 0.07 0.28 0.27 -0.04 -0.01 0.04 0.05 0.02 -0.03 0.26 -0.23 0.02 -0.18 -0.12 -0.24 -0.04 0.17 0.18 0.04 0.12 0.01 -0.08 0.06 -0.05 0.01 -0.02 0.04 0.02 0.01 -0.01 0.04 -0.00 -0.01 0.05 -0.03 0.00 0.05 -0.00 0.03 0.05 -0.02 0.02 0.03 -0.01 0.01 0.04 -0.02 0.02 0.03 -0.01 0.01 0.04 -0.00 0.01 0.04 -0.00 0.01 -0.00 -0.00 0.01 0.00 0.01 0.00 -0.01 -0.02 0.01 -0.01 -0.01 -0.00 -0.03 -0.00 -0.01 -0.02 -0.02 -0.01 -0.00 -0.01 -0.00 -0.01 -0.01 -0.00 -0.03 0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.01 0.01 0.00 0.00 0.01 0.01 -0.01 0.01 -0.00 0.03 0.01 0.00 0.00 0.01 0.02 0.01 -0.01 0.04 0.04 -0.05 0.01 0.01 -0.01 0.02 -0.02 0.02 0.05 0.05 -0.07 -0.03 -0.05 0.07 0.00 0.00 0.02 -0.04 0.00 -0.01 -0.02 -0.03 -0.01 0.01 -0.02 0.00 -0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.03 -0.01 -0.01 0.01 -0.02 -0.01 -0.00 0.01 0.01 -0.03 0.00 -0.00 -0.01 -0.00 0.00 -0.08 0.06 -0.02 0.07 -0.01 0.10 0.04 -0.09 -0.08 -0.01 -0.00 -0.01 0.01 0.05 0.04 0.00 0.06 -0.03 0.01 -0.00 0.03 -0.02 -0.01 0.01 -0.00 -0.06 0.07 0.07 0.01 0.04 -0.02 -0.02 -0.02 0.12 0.13 -0.18 -0.09 -0.14 0.18 -0.06 0.53 -0.04 0.32 -0.20 -0.35 -0.20 -0.24 0.34 -0.01 0.05 -0.05 -0.11 0.01 -0.01 0.04 -0.01 0.02 -0.04 0.02 0.00 -0.03 0.00 0.00 -0.04 0.02 0.02 -0.06 0.07 -0.02 0.05 0.05 0.03 -0.01 -0.04 -0.01 -0.04 0.03 -0.01 -0.00 -0.04 0.00 0.02 0.01 -0.03 0.01 -0.05 0.02 -0.01 -0.08 0.01 0.03 0.01 -0.02 0.02 -0.00 -0.01 0.02 -0.00 0.00 0.03 -0.00 0.00 0.04 -0.02 0.01 0.02 -0.02 0.01 0.03 -0.01 0.01 0.04 -0.01 0.01 -0.01 0.00 0.00 -0.04 0.02 0.02 0.28 -0.22 0.18 -0.52 -0.06 -0.12 0.07 0.57 -0.13 0.16 0.10 0.06 0.00 0.03 0.14 0.06 0.05 -0.07 -0.02 -0.06 -0.02 0.04 0.01 -0.04 -0.04 -0.02 0.02 0.04 -0.05 0.07 0.03 -0.08 -0.03 -0.03 -0.10 0.02 0.02 -0.09 0.02 -0.02 -0.07 0.01 0.03 0.01 -0.03 0.05 0.00 -0.02 0.04 -0.04 0.00 0.04 -0.00 0.03 0.04 -0.02 0.01 0.02 -0.02 0.01 0.04 -0.01 0.01 0.03 -0.03 0.00 0.04 -0.01 0.02 0.05 -0.01 -0.00 0.03 0.07 -0.03 -0.02 0.09 0.01 0.01 -0.00 0.00 0.05 -0.06 0.00 -0.01 -0.04 0.03 0.02 -0.09 0.01 -0.03 -0.04 -0.04 0.10 -0.08 -0.02 -0.08 0.03 0.06 0.01 0.01 -0.00 -0.07 0.03 0.05 0.02 0.02 -0.05 0.01 -0.06 0.00 -0.03 0.16 0.00 -0.00 -0.01 0.01 0.01 0.01 -0.03 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.03 -0.02 0.00 -0.02 -0.02 0.03 -0.00 -0.00 0.01 0.01 0.00 -0.01 -0.03 -0.07 0.03 0.04 -0.11 0.00 -0.08 -0.03 -0.02 -0.06 -0.03 -0.02 -0.03 -0.07 -0.11 0.48 0.01 0.11 -0.24 0.07 0.16 0.06 -0.35 -0.37 -0.07 0.06 0.05 0.05 0.00 -0.07 0.07 -0.06 -0.04 -0.03 -0.15 0.02 0.05 -0.05 -0.03 0.03 0.18 -0.04 -0.10 0.23 0.03 0.01 0.17 -0.03 0.01 0.01 0.09 -0.04 -0.09 0.01 -0.05 -0.03 0.04 -0.03 0.00 0.03 -0.05 -0.06 -0.03 -0.03 -0.03 0.04 0.01 0.01 -0.01 -0.00 -0.05 -0.03 -0.00 0.03 0.03 0.04 0.04 -0.06 -0.05 -0.06 -0.02 0.01 0.02 -0.07 -0.01 0.01 -0.00 0.01 0.03 0.00 -0.04 0.02 0.01 -0.02 0.00 -0.06 -0.00 0.07 -0.01 0.08 0.08 0.04 0.03 -0.03 0.06 -0.02 -0.01 -0.07 0.01 -0.04 0.03 -0.02 -0.01 0.04 -0.01 -0.07 -0.03 -0.01 -0.08 0.02 -0.01 0.01 0.02 -0.02 -0.01 0.05 -0.01 0.00 0.01 -0.01 0.00 0.01 0.07 0.02 0.02 0.02 0.03 -0.03 -0.00 0.01 -0.01 -0.02 -0.00 0.01 -0.10 0.01 0.01 0.01 -0.02 -0.07 -0.21 0.27 -0.17 0.25 0.20 0.10 -0.08 -0.22 0.01 0.40 0.21 0.13 -0.16 0.14 0.27 0.07 -0.08 -0.23 0.05 -0.05 0.10 -0.01 0.00 0.06 0.10 -0.09 -0.06 -0.08 -0.11 -0.11 -0.05 -0.03 0.04 -0.01 -0.06 0.03 -0.01 -0.11 -0.02 -0.04 -0.11 0.06 -0.01 -0.00 -0.01 0.00 0.04 0.02 0.12 -0.00 -0.05 0.08 0.01 -0.00 0.11 0.09 0.08 0.04 0.04 -0.05 -0.01 -0.01 0.01 0.00 0.04 0.04 -0.02 -0.03 -0.03 -0.05 -0.03 0.05 -0.00 -0.02 0.02 0.17 -0.02 -0.07 -0.04 -0.00 -0.03 -0.03 0.00 -0.03 0.00 -0.02 0.02 0.01 0.06 -0.06 -0.08 -0.09 -0.02 0.00 0.05 0.03 0.05 0.02 0.15 0.04 0.02 -0.05 0.00 0.01 0.09 -0.00 -0.02 0.04 -0.03 -0.05 -0.03 -0.03 0.05 0.00 -0.01 0.01 -0.00 -0.01 -0.02 0.03 -0.00 -0.01 0.01 -0.02 -0.01 0.00 -0.06 0.03 -0.03 0.02 0.01 -0.02 0.01 0.01 -0.01 0.00 -0.01 0.01 -0.06 -0.10 0.03 0.05 0.09 -0.06 0.11 -0.32 0.23 -0.41 -0.26 -0.18 0.01 0.23 -0.12 -0.07 0.06 -0.01 0.12 -0.03 0.04 0.03 0.18 0.10 0.08 0.03 0.18 0.01 0.00 0.06 0.14 -0.07 -0.11 -0.16 -0.12 -0.17 -0.12 -0.02 0.07 0.06 0.11 -0.05 -0.12 0.08 -0.07 -0.06 0.02 0.05 -0.02 0.00 -0.06 0.02 0.07 -0.00 -0.07 0.11 -0.03 -0.10 -0.02 -0.10 -0.07 0.04 -0.03 0.02 0.03 -0.04 0.00 -0.01 0.01 0.02 0.02 0.03 -0.01 -0.02 -0.01 -0.02 -0.03 0.04 -0.02 -0.07 -0.04 -0.07 0.01 -0.02 0.07 0.03 0.07 0.02 -0.02 -0.02 0.06 -0.02 0.01 0.03 0.01 0.02 -0.01 -0.09 -0.02 0.01 -0.04 -0.03 0.07 0.03 0.06 -0.02 -0.02 -0.02 0.04 0.03 0.02 -0.02 -0.01 -0.00 -0.03 0.07 -0.02 0.02 0.05 -0.03 0.01 -0.04 0.02 -0.03 0.01 0.01 -0.05 0.02 -0.01 0.01 0.00 0.02 0.22 -0.04 0.10 -0.08 0.04 -0.02 -0.11 0.02 -0.05 -0.14 0.04 -0.05 0.08 -0.08 0.02 0.05 0.03 0.02 0.09 -0.22 0.13 -0.17 -0.19 -0.11 0.04 0.07 -0.06 -0.03 -0.06 -0.04 0.04 -0.04 -0.07 0.01 -0.02 0.01 0.08 0.04 0.07 -0.04 -0.03 -0.02 0.02 0.06 -0.03 -0.07 0.12 -0.12 -0.12 0.09 0.06 0.07 0.07 -0.06 -0.02 0.06 -0.06 0.00 0.04 -0.01 0.02 -0.03 0.07 -0.02 -0.08 0.02 0.31 -0.24 0.01 0.33 0.06 0.20 0.28 0.05 0.18 -0.04 0.03 -0.01 -0.13 0.03 -0.05 -0.13 0.05 -0.04 -0.13 0.04 -0.04 -0.16 0.04 -0.06 0.08 0.04 0.06 0.23 -0.02 0.02 0.12 -0.01 0.08 -0.04 0.04 0.01 -0.06 0.02 -0.01 -0.02 0.03 -0.03 -0.03 0.09 0.01 -0.05 0.08 0.05 -0.10 -0.03 -0.05 0.09 0.02 0.03 -0.09 -0.04 -0.00 0.03 0.01 -0.06 0.04 -0.15 0.03 -0.06 -0.03 0.05 0.04 -0.04 -0.02 0.03 0.05 -0.10 -0.02 0.03 -0.06 0.06 -0.00 -0.02 0.06 -0.06 0.03 -0.12 -0.03 0.03 -0.13 -0.02 -0.04 -0.14 0.06 -0.08 -0.09 0.08 -0.01 -0.04 0.03 -0.03 -0.06 0.13 -0.05 -0.00 0.14 0.06 -0.04 0.05 -0.00 -0.11 0.10 0.02 0.01 0.03 0.06 -0.04 0.13 0.12 -0.12 -0.02 -0.08 -0.03 -0.04 -0.11 0.03 -0.14 0.02 0.06 -0.27 0.17 0.19 -0.15 -0.09 -0.10 -0.05 0.08 -0.02 -0.03 0.09 -0.02 -0.02 0.03 0.06 -0.03 0.06 -0.02 -0.11 -0.02 0.05 -0.20 0.09 0.12 0.04 0.17 0.03 -0.13 -0.01 -0.12 -0.08 0.09 -0.11 0.02 -0.10 -0.16 0.03 -0.11 -0.09 0.13 0.01 -0.15 0.13 -0.17 0.02 -0.05 -0.01 0.02 -0.00 -0.00 -0.14 -0.09 -0.14 0.00 0.01 -0.01 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.01 -0.01 -0.02 0.02 0.01 -0.01 0.00 -0.00 0.01 -0.02 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.04 0.01 -0.02 0.00 -0.01 -0.00 0.01 -0.01 -0.01 0.01 0.02 -0.00 -0.07 0.03 0.02 -0.02 0.01 -0.02 -0.05 0.10 -0.07 0.02 -0.06 0.19 0.18 -0.05 0.21 0.18 0.09 -0.08 -0.03 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.02 0.00 -0.01 -0.00 0.02 -0.02 -0.04 0.04 -0.01 -0.00 0.01 0.01 -0.02 0.03 0.04 -0.01 0.00 -0.00 -0.04 -0.02 -0.05 0.01 -0.02 -0.00 0.00 -0.04 0.02 0.02 -0.02 -0.01 -0.01 -0.00 0.01 -0.01 -0.01 0.01 -0.01 -0.00 0.01 0.02 -0.01 0.10 -0.07 -0.09 0.01 0.11 -0.18 0.03 0.16 0.00 0.11 0.10 -0.08 0.01 -0.19 0.20 0.19 -0.16 0.29 0.10 -0.05 -0.24 -0.23 0.01 -0.17 -0.15 0.45 -0.15 0.03 0.00 -0.02 0.01 -0.11 -0.02 0.05 -0.00 0.01 0.00 0.01 0.03 -0.16 0.07 -0.03 -0.03 0.02 0.10 0.05 0.14 -0.13 -0.08 -0.01 0.16 -0.04 -0.03 0.02 -0.00 -0.02 0.01 0.05 -0.08 0.00 0.03 -0.01 -0.00 0.01 0.04 -0.13 0.00 -0.07 0.02 0.05 -0.01 0.00 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 -0.01 0.01 0.00 -0.00 0.01 0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.00 0.01 0.00 0.01 0.25 -0.18 -0.01 0.00 0.29 0.11 0.16 -0.15 -0.06 0.32 -0.20 -0.18 0.11 -0.19 0.13 -0.00 0.31 -0.08 -0.02 0.11 0.10 -0.01 0.18 0.01 -0.02 0.08 -0.02 -0.02 -0.00 0.01 0.10 -0.13 -0.04 0.01 -0.28 0.09 0.16 -0.11 -0.08 -0.08 0.02 0.06 -0.06 0.01 0.06 -0.05 0.01 0.04 -0.00 0.00 0.00 -0.01 0.01 0.00 -0.00 0.01 0.00 -0.00 0.01 0.01 -0.00 0.00 0.01 0.01 -0.01 -0.00 0.02 -0.01 -0.00 0.01 0.01 0.01 0.01 0.01 0.01 -0.01 0.01 0.00 -0.01 0.15 0.01 0.02 -0.01 0.00 0.08 -0.01 -0.02 0.00 -0.00 0.02 0.03 -0.00 0.02 0.02 0.04 0.03 0.01 -0.01 0.03 0.03 -0.05 -0.02 -0.04 -0.00 -0.05 0.00 0.07 0.01 -0.05 -0.01 -0.04 0.01 -0.05 0.04 0.01 -0.03 0.02 -0.01 0.01 0.01 0.03 -0.01 -0.08 -0.07 -0.15 0.10 -0.06 -0.11 0.08 -0.00 -0.10 0.04 0.01 -0.04 -0.05 0.01 0.16 -0.07 -0.04 0.13 -0.04 -0.07 -0.04 -0.01 0.06 0.02 0.02 0.04 0.06 0.03 0.00 -0.01 0.03 0.04 -0.02 0.02 0.00 -0.03 0.06 0.06 -0.10 0.01 0.03 -0.03 -0.06 0.04 -0.04 -0.08 -0.05 0.01 -0.07 0.15 -0.00 0.07 -0.03 -0.04 0.06 0.05 -0.05 0.10 0.10 -0.01 -0.04 -0.04 0.01 0.05 0.01 0.02 0.06 0.04 0.01 -0.01 -0.09 -0.03 -0.41 0.27 0.24 -0.08 0.05 0.01 -0.12 0.04 -0.13 -0.19 0.04 0.13 0.02 0.03 0.26 -0.20 -0.15 0.06 0.06 -0.02 -0.01 0.06 -0.19 -0.15 -0.15 -0.04 -0.15 0.14 -0.03 0.13 0.11 0.01 -0.00 0.09 0.10 -0.02 0.05 -0.11 -0.02 -0.08 -0.12 -0.01 -0.07 -0.12 -0.04 -0.05 0.07 -0.05 -0.00 0.03 0.04 -0.03 0.06 -0.02 0.09 -0.05 0.02 0.09 0.13 0.00 0.10 -0.04 -0.01 -0.01 -0.05 0.07 -0.03 0.04 -0.01 -0.05 0.00 -0.00 -0.07 -0.00 -0.02 -0.08 0.01 -0.00 -0.06 0.04 -0.01 -0.04 0.00 -0.07 -0.04 -0.03 -0.01 0.03 -0.00 0.02 0.04 0.03 -0.02 -0.01 -0.18 -0.07 -0.07 -0.22 -0.07 -0.03 0.11 -0.03 -0.10 0.27 -0.05 -0.02 0.03 -0.11 0.22 0.15 0.09 0.01 0.02 -0.01 0.11 0.06 0.10 -0.15 0.08 -0.07 0.14 -0.07 -0.02 -0.01 0.01 0.12 -0.13 -0.13 0.17 -0.23 -0.30 -0.00 0.11 0.16 -0.01 -0.16 -0.04 -0.00 -0.14 -0.08 0.00 -0.00 0.00 -0.04 -0.18 0.05 0.10 -0.07 -0.01 -0.10 -0.02 0.02 -0.04 -0.00 -0.01 -0.09 -0.07 -0.08 -0.02 0.06 0.02 0.04 0.01 -0.01 -0.06 -0.07 0.04 -0.02 -0.01 0.12 -0.02 -0.01 0.03 0.03 -0.00 -0.03 0.01 0.03 0.00 -0.01 -0.02 0.04 -0.08 -0.05 0.05 -0.09 -0.04 0.03 -0.12 -0.01 0.02 0.11 -0.13 -0.10 0.08 0.14 0.02 -0.03 0.01 0.02 -0.05 0.02 0.02 -0.03 0.04 0.03 0.01 0.00 -0.05 0.01 0.02 0.03 0.07 -0.03 0.01 0.00 0.01 0.00 -0.02 0.03 -0.01 -0.03 0.04 -0.00 -0.03 0.02 -0.01 0.00 -0.00 0.01 0.03 -0.02 -0.01 0.02 -0.02 -0.04 0.00 -0.01 0.07 -0.11 -0.04 -0.00 -0.13 0.00 0.05 0.16 -0.29 -0.07 0.25 0.04 0.04 0.17 -0.24 -0.22 0.34 0.01 -0.13 0.04 0.27 -0.15 0.04 0.38 0.04 0.01 0.00 0.06 0.01 0.01 -0.06 0.03 0.02 -0.05 0.08 -0.04 -0.13 -0.01 0.07 0.11 0.09 -0.10 -0.06 0.15 -0.02 0.05 0.09 -0.06 -0.02 0.02 -0.02 0.05 0.01 0.00 -0.02 0.04 -0.00 -0.02 -0.02 -0.04 -0.01 0.02 -0.00 0.03 0.06 -0.05 -0.05 -0.00 0.00 -0.01 0.02 0.03 -0.06 -0.01 -0.02 -0.06 -0.01 0.02 0.02 0.03 0.01 -0.05 0.01 0.04 0.00 -0.01 -0.02 0.08 0.02 0.02 -0.02 0.07 -0.05 0.01 -0.11 -0.01 -0.02 -0.01 -0.02 -0.05 -0.01 -0.01 -0.00 0.11 0.01 0.01 -0.05 0.02 0.07 0.13 0.10 0.02 0.01 -0.00 0.11 -0.01 -0.10 -0.09 -0.10 0.05 0.01 0.00 0.00 0.01 -0.01 0.01 -0.00 -0.02 0.02 0.00 -0.02 0.01 -0.01 -0.00 -0.00 0.00 0.02 -0.01 -0.01 0.01 -0.01 -0.02 0.00 -0.00 -0.08 0.10 -0.05 -0.05 -0.22 -0.03 -0.07 -0.02 0.07 -0.11 -0.03 -0.04 -0.01 -0.01 -0.14 -0.16 -0.03 -0.05 -0.07 0.06 -0.14 -0.09 -0.10 0.11 -0.05 0.10 -0.05 0.04 0.01 -0.00 0.31 0.06 -0.29 -0.03 -0.23 -0.12 0.10 -0.08 -0.14 -0.13 -0.18 0.02 0.01 -0.30 -0.14 -0.38 -0.12 0.19 -0.01 0.01 -0.01 0.03 0.01 0.00 -0.02 0.02 0.00 -0.02 -0.01 -0.02 -0.01 -0.00 -0.01 0.02 0.03 -0.03 -0.03 -0.00 0.00 -0.01 0.01 0.02 -0.04 -0.01 -0.01 -0.04 -0.01 0.01 -0.03 -0.01 0.01 0.08 0.00 -0.01 0.08 0.17 0.14 0.07 -0.02 0.01 0.06 -0.01 0.00 0.04 -0.03 0.01 -0.01 0.02 -0.03 -0.03 -0.01 0.04 0.01 0.03 -0.01 0.01 -0.01 -0.01 -0.03 0.02 -0.02 -0.13 0.00 -0.09 0.02 -0.01 -0.01 -0.02 0.00 0.02 -0.18 -0.03 -0.09 -0.09 0.02 -0.11 -0.13 -0.03 -0.01 -0.16 0.02 0.04 0.06 -0.08 -0.01 -0.00 -0.03 -0.07 0.12 0.04 0.07 0.18 -0.07 0.07 0.08 -0.01 0.00 0.07 -0.03 0.00 -0.02 0.03 -0.03 -0.09 0.05 0.01 0.01 0.05 -0.14 -0.11 0.04 -0.00 -0.05 0.02 0.01 -0.06 -0.06 0.15 0.02 0.06 -0.01 -0.18 -0.01 -0.09 0.04 -0.02 -0.01 0.02 -0.07 0.03 0.09 0.01 -0.05 -0.06 0.00 0.06 0.01 -0.02 0.03 -0.01 -0.01 0.02 -0.25 -0.00 -0.15 -0.09 -0.00 -0.09 0.11 -0.29 -0.05 0.13 0.04 0.16 0.10 -0.10 0.04 -0.03 0.03 -0.13 0.17 -0.02 0.13 0.16 -0.12 0.03 0.10 -0.14 -0.03 0.32 -0.14 0.15 0.06 -0.06 -0.05 0.01 -0.01 0.02 -0.03 0.05 -0.04 -0.05 0.02 0.01 -0.00 0.01 -0.02 -0.01 0.06 0.02 -0.00 0.01 0.05 0.02 -0.00 -0.03 -0.06 -0.06 -0.12 0.03 0.01 0.02 0.10 -0.04 0.18 0.04 0.03 -0.08 -0.05 -0.04 0.04 -0.00 0.03 -0.04 0.00 -0.02 0.01 0.03 0.06 -0.05 -0.05 -0.05 0.10 -0.06 -0.05 0.10 0.01 0.01 0.03 0.03 0.02 -0.03 0.02 0.01 -0.04 -0.00 -0.00 0.01 0.04 0.09 -0.03 -0.02 0.08 0.03 0.00 0.02 0.03 0.07 0.00 0.03 -0.02 -0.02 0.13 0.06 -0.07 0.01 0.05 -0.01 -0.04 0.04 0.04 -0.11 -0.22 -0.07 -0.37 -0.01 -0.00 -0.11 -0.01 0.06 -0.10 -0.10 -0.01 -0.07 -0.24 -0.17 0.09 0.23 -0.04 -0.32 -0.19 0.09 -0.18 -0.24 0.11 -0.02 -0.09 0.06 -0.00 0.12 -0.08 0.01 -0.01 -0.05 0.08 -0.00 0.08 0.15 -0.00 -0.11 -0.00 0.10 0.08 -0.11 -0.02 -0.04 0.04 0.05 0.01 0.08 -0.06 -0.03 -0.01 -0.05 -0.03 0.06 -0.07 0.02 0.02 0.00 -0.01 -0.05 0.02 -0.04 0.07 0.03 -0.03 0.04 0.11 -0.03 -0.02 0.05 0.05 0.03 0.00 0.04 0.01 0.01 -0.05 0.04 -0.02 -0.01 -0.14 -0.02 0.06 -0.04 0.06 0.01 0.15 -0.06 -0.05 0.09 -0.01 -0.05 0.02 -0.04 0.04 -0.01 -0.02 0.02 -0.02 -0.06 -0.09 0.08 0.05 0.07 -0.12 0.06 0.09 -0.13 0.00 -0.01 -0.02 -0.03 -0.03 0.03 -0.02 -0.02 0.05 0.02 -0.00 -0.01 0.20 0.05 -0.03 0.11 0.06 0.01 0.00 0.07 -0.05 -0.02 0.09 0.07 0.01 0.05 -0.03 -0.01 -0.06 0.03 -0.00 -0.03 0.01 -0.00 -0.07 0.06 -0.16 0.05 -0.38 0.01 -0.00 0.13 0.06 0.03 -0.11 -0.07 -0.10 -0.03 -0.10 -0.14 0.02 0.13 -0.03 -0.22 -0.17 0.06 -0.13 -0.25 0.10 0.02 0.12 -0.08 0.05 -0.21 0.06 -0.01 0.05 0.06 -0.12 0.03 -0.10 -0.19 0.03 0.19 0.04 -0.12 -0.11 0.13 0.04 0.05 -0.04 -0.05 -0.02 -0.10 0.09 0.03 0.02 0.09 0.04 -0.06 0.02 0.02 0.00 -0.02 0.02 0.02 0.02 -0.00 0.04 0.18 0.16 0.02 -0.06 0.09 0.07 0.01 -0.08 -0.01 -0.00 -0.04 -0.02 -0.02 0.12 -0.11 -0.03 -0.07 0.00 0.02 -0.07 0.01 0.02 -0.09 0.01 0.01 0.02 0.01 -0.08 -0.05 0.06 0.06 -0.01 -0.04 -0.03 0.02 -0.01 -0.02 -0.05 0.04 -0.01 -0.01 -0.02 0.00 0.03 -0.05 -0.00 -0.01 -0.02 -0.01 0.00 -0.01 -0.00 0.01 0.01 0.01 -0.00 0.00 -0.14 0.15 0.07 -0.00 -0.09 -0.01 -0.21 -0.07 0.31 -0.08 -0.20 -0.18 -0.02 -0.17 -0.20 -0.14 0.06 -0.14 -0.09 0.26 -0.30 -0.09 -0.05 0.02 -0.09 -0.17 -0.03 0.05 0.05 0.04 -0.16 -0.06 0.11 -0.03 0.07 0.02 -0.15 -0.06 0.12 0.15 0.01 -0.12 -0.04 0.09 -0.01 0.11 0.02 -0.10 0.02 0.03 0.11 -0.15 -0.04 -0.01 0.01 0.03 -0.05 0.00 -0.06 -0.10 0.00 0.07 0.01 -0.04 0.01 -0.01 0.00 0.01 0.02 -0.00 -0.02 -0.02 -0.00 -0.02 -0.02 0.04 -0.01 0.01 0.08 -0.05 -0.08 0.03 -0.00 0.04 -0.00 -0.00 0.07 -0.10 -0.03 -0.03 -0.04 -0.02 0.01 -0.02 0.01 0.02 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.03 0.01 0.02 0.04 -0.03 0.04 0.01 0.02 -0.01 0.07 0.08 -0.09 0.02 0.04 -0.02 0.00 -0.01 0.00 -0.02 0.05 -0.04 -0.06 -0.10 0.10 -0.06 -0.06 0.04 0.01 0.08 -0.11 -0.00 -0.01 -0.01 -0.01 0.01 -0.04 0.01 0.03 -0.00 0.01 -0.01 0.01 -0.01 -0.06 0.01 -0.06 0.05 0.05 0.08 -0.01 -0.08 0.07 0.02 0.02 -0.01 0.03 0.13 0.06 0.01 0.02 0.04 -0.07 0.09 0.04 0.09 -0.06 -0.02 -0.01 0.04 0.15 0.16 -0.00 0.03 0.04 -0.03 0.02 0.04 -0.03 0.02 0.03 -0.02 -0.03 -0.02 0.03 0.04 -0.06 -0.02 -0.03 -0.03 0.03 0.13 0.12 0.50 -0.43 -0.31 -0.03 0.05 0.05 -0.11 0.03 -0.11 -0.18 0.03 0.19 0.07 -0.00 0.08 -0.12 -0.02 -0.03 0.08 0.03 -0.02 0.04 -0.06 -0.05 -0.04 0.03 -0.05 0.06 0.02 -0.02 0.01 -0.04 -0.01 0.01 0.16 -0.14 -0.04 -0.01 0.01 0.02 0.02 0.02 -0.08 -0.01 0.00 -0.04 -0.02 0.01 0.03 0.00 -0.01 -0.01 0.08 0.01 -0.01 0.01 0.01 0.01 -0.03 -0.02 0.00 0.04 0.03 0.03 -0.02 -0.04 0.02 -0.02 0.02 0.01 -0.05 -0.05 -0.06 0.01 0.14 0.08 -0.11 -0.05 -0.07 -0.01 -0.18 -0.14 -0.03 0.26 0.20 -0.10 -0.04 -0.09 0.02 0.06 0.05 0.07 -0.02 0.02 -0.03 0.08 -0.09 -0.06 -0.11 -0.06 -0.00 0.01 0.02 -0.01 0.02 0.04 -0.01 0.02 0.04 0.00 -0.05 0.01 0.01 0.00 -0.04 0.01 -0.01 -0.03 0.16 0.08 0.06 -0.01 0.00 0.00 0.00 -0.04 0.00 -0.04 -0.08 0.02 -0.01 -0.04 0.01 -0.00 0.05 0.02 -0.04 0.07 0.06 0.06 0.02 -0.02 -0.14 0.03 -0.02 -0.19 0.00 -0.05 -0.06 0.28 0.23 -0.04 0.27 0.22 -0.04 0.23 0.18 -0.20 0.02 -0.13 0.09 0.01 0.08 0.02 -0.09 -0.04 0.01 -0.09 -0.06 0.22 -0.08 0.09 0.03 -0.04 0.02 -0.07 -0.03 0.04 -0.02 0.04 0.03 -0.01 0.03 0.05 0.06 0.06 -0.21 -0.02 0.00 -0.08 -0.04 0.03 0.08 0.01 -0.02 -0.01 0.22 0.03 -0.03 0.02 0.03 0.03 -0.07 -0.04 0.01 0.02 0.02 -0.00 -0.06 -0.12 0.05 -0.04 0.06 0.03 -0.01 0.05 0.02 0.02 -0.05 -0.02 0.02 -0.03 0.03 -0.00 0.05 0.01 0.01 -0.09 -0.07 0.02 0.02 0.01 -0.01 0.00 -0.01 -0.02 0.00 -0.01 -0.07 0.20 -0.23 -0.15 -0.29 -0.15 -0.01 0.03 0.07 -0.03 0.04 0.10 -0.03 0.06 0.10 -0.00 -0.13 0.01 0.01 0.02 -0.12 0.01 -0.04 -0.06 0.40 0.20 0.16 -0.00 0.06 0.04 0.00 -0.12 0.01 -0.11 -0.20 0.06 -0.02 -0.11 0.02 -0.01 0.13 0.06 -0.11 0.18 0.14 0.15 0.05 -0.05 0.03 0.06 0.13 -0.08 -0.04 0.02 -0.01 -0.06 -0.06 -0.01 -0.10 -0.09 -0.00 -0.09 -0.08 0.04 0.03 -0.01 -0.04 -0.01 0.01 -0.00 0.01 0.02 -0.03 0.00 -0.01 -0.05 0.00 -0.00 -0.04 -0.07 0.05 -0.04 0.01 -0.07 0.14 -0.01 0.03 -0.01 -0.01 -0.00 0.01 -0.02 0.05 0.02 0.03 -0.01 0.00 0.00 -0.01 0.01 -0.01 0.01 -0.04 -0.00 -0.01 -0.02 -0.01 -0.06 0.01 0.01 -0.00 0.04 0.15 0.12 0.01 0.02 -0.01 0.00 -0.01 -0.00 -0.09 0.16 0.10 0.17 0.01 -0.08 0.02 -0.13 -0.03 -0.02 -0.09 -0.00 -0.00 -0.09 -0.10 -0.04 0.01 -0.01 -0.02 0.05 0.01 -0.03 0.00 -0.02 0.04 -0.04 0.05 0.09 0.12 0.01 0.00 0.00 -0.02 -0.01 0.01 0.00 0.00 0.00 -0.02 0.02 0.00 0.02 0.01 -0.03 0.05 0.02 0.01 -0.00 -0.10 -0.03 -0.08 -0.03 0.23 0.22 0.00 0.02 -0.00 0.02 0.03 -0.00 0.02 0.02 -0.01 0.00 -0.03 -0.02 0.01 -0.03 -0.03 -0.05 -0.00 0.01 -0.21 0.30 0.20 -0.26 0.15 0.11 -0.16 0.09 0.10 -0.16 -0.11 -0.07 -0.12 -0.35 -0.28 -0.11 0.07 -0.07 -0.04 0.05 0.03 -0.05 -0.03 -0.04 -0.08 -0.04 -0.07 0.03 -0.03 0.02 -0.15 0.02 0.07 0.06 -0.00 -0.01 0.01 -0.12 -0.04 0.07 0.01 0.02 0.04 -0.01 0.00 -0.03 0.00 0.03 0.02 -0.01 -0.02 0.01 -0.01 0.01 0.02 0.00 -0.01 -0.09 0.02 -0.00 -0.00 -0.00 0.00 -0.13 0.07 -0.05 -0.00 -0.01 0.00 -0.00 0.01 0.00 0.14 0.07 0.01 -0.07 0.07 -0.11 -0.11 -0.09 0.18 0.16 0.03 -0.06 -0.00 0.01 -0.01 0.03 -0.00 0.00 0.04 -0.00 -0.06 0.02 0.00 0.01 0.09 -0.01 0.00 0.03 0.00 0.01 -0.03 0.00 0.02 -0.02 -0.01 -0.02 0.02 -0.03 -0.10 -0.04 -0.00 -0.01 -0.04 0.04 -0.04 -0.03 -0.09 0.08 0.02 0.02 -0.03 -0.30 0.04 -0.05 0.00 -0.01 0.00 -0.01 -0.02 0.01 0.01 -0.01 -0.00 0.00 0.01 -0.01 -0.01 0.01 0.00 -0.00 0.01 -0.00 0.39 -0.01 0.35 -0.18 -0.19 0.01 0.03 -0.15 -0.02 0.02 0.12 0.16 0.03 -0.09 0.01 0.21 0.12 -0.18 -0.06 -0.15 0.13 0.14 0.02 0.16 -0.11 -0.03 -0.01 -0.09 -0.04 0.07 0.05 -0.06 0.03 -0.07 -0.07 0.02 -0.02 0.02 0.02 0.17 -0.06 0.03 -0.22 0.08 -0.07 0.01 0.23 -0.05 0.09 -0.05 -0.17 0.03 -0.16 0.14 -0.06 -0.01 0.03 0.04 0.22 0.04 0.02 -0.01 -0.00 0.03 -0.03 0.00 -0.01 -0.01 0.01 0.03 -0.03 -0.01 -0.01 -0.01 -0.03 0.02 0.01 0.00 -0.01 -0.02 0.02 -0.01 0.03 -0.03 0.00 0.01 0.01 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.36 0.17 -0.07 -0.03 0.11 -0.09 -0.01 -0.01 -0.14 -0.03 -0.01 -0.12 0.11 -0.09 -0.42 -0.04 -0.08 0.08 -0.04 -0.11 0.12 -0.03 -0.30 0.27 -0.02 -0.11 0.15 -0.01 -0.03 0.02 -0.02 0.01 -0.00 -0.02 0.03 -0.03 -0.06 -0.03 0.03 0.02 -0.02 -0.00 0.02 -0.01 -0.00 0.04 -0.03 -0.01 0.04 -0.02 0.04 -0.08 -0.03 -0.03 -0.01 0.01 0.02 -0.00 0.01 0.01 -0.00 -0.01 -0.01 0.00 0.03 -0.03 -0.02 -0.01 0.03 0.01 -0.01 0.01 -0.03 -0.01 -0.01 0.00 -0.01 0.01 -0.06 -0.04 -0.10 0.09 -0.01 0.05 0.07 -0.04 -0.08 0.05 0.00 0.01 -0.04 0.03 -0.05 -0.05 0.04 0.08 0.03 -0.02 -0.04 0.01 -0.03 0.03 0.02 0.01 -0.01 -0.05 0.00 0.05 0.00 -0.00 0.01 -0.04 0.19 -0.10 -0.01 -0.02 0.01 0.00 -0.00 -0.00 0.06 0.09 0.15 -0.16 -0.07 0.05 0.02 0.11 -0.14 0.02 -0.15 0.16 -0.03 -0.05 -0.02 -0.02 -0.01 -0.06 -0.01 -0.04 0.03 0.03 -0.01 0.02 0.04 0.03 -0.04 -0.09 -0.02 0.07 0.02 -0.01 -0.04 0.03 -0.01 -0.04 0.03 -0.02 -0.07 -0.04 -0.03 0.01 -0.03 0.01 -0.01 -0.02 -0.10 0.09 0.10 0.02 0.11 -0.00 0.24 -0.04 0.00 -0.00 -0.02 -0.03 -0.03 -0.01 -0.03 -0.04 0.01 0.00 0.01 0.01 -0.00 0.02 0.02 0.04 -0.01 -0.01 -0.24 0.33 0.08 0.32 -0.07 0.13 0.08 -0.09 -0.18 0.06 -0.10 -0.15 0.05 0.21 0.11 -0.11 -0.15 0.12 0.15 0.07 -0.13 -0.06 -0.00 -0.09 0.15 0.02 0.05 0.09 0.03 -0.04 0.07 0.01 0.05 -0.06 0.00 -0.01 -0.08 0.04 0.01 -0.03 -0.01 -0.01 0.00 -0.00 0.02 0.04 -0.01 -0.06 -0.01 0.01 0.02 -0.00 0.01 -0.01 -0.02 -0.01 0.01 0.06 0.00 -0.02 -0.00 0.00 -0.00 0.03 -0.03 0.08 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.23 0.02 0.15 -0.04 0.02 -0.02 -0.12 -0.04 -0.08 0.03 0.09 0.05 -0.00 -0.04 -0.04 -0.20 -0.11 -0.20 -0.00 0.07 0.04 0.06 0.00 0.04 -0.07 0.01 0.02 0.05 0.02 -0.05 -0.01 0.01 0.01 -0.02 0.01 0.02 -0.01 0.01 0.03 0.03 0.01 0.00 0.02 -0.02 0.03 0.02 0.06 -0.04 -0.06 -0.02 -0.05 0.01 -0.10 -0.00 -0.01 -0.00 0.01 0.01 0.02 0.00 0.01 0.02 -0.00 0.00 -0.01 -0.01 0.00 -0.01 -0.01 -0.02 0.00 0.01 0.34 -0.11 0.03 0.33 0.07 0.15 0.00 -0.08 -0.04 -0.00 -0.03 -0.02 -0.01 -0.06 -0.05 -0.33 -0.05 -0.25 0.19 -0.04 0.13 -0.02 -0.13 -0.08 -0.04 -0.12 -0.12 0.34 -0.09 0.14 -0.11 0.03 -0.14 0.12 0.02 0.01 -0.05 0.06 0.04 0.03 0.01 0.01 -0.04 0.05 -0.05 -0.10 0.00 0.20 0.02 -0.02 -0.05 0.01 -0.02 0.02 0.02 0.02 -0.06 -0.14 -0.06 0.01 0.01 0.01 0.02 0.07 -0.06 0.02 -0.02 -0.03 0.03 0.01 -0.00 -0.01 0.05 -0.04 -0.01 0.16 0.01 0.02 0.02 -0.09 -0.02 -0.04 0.07 -0.02 0.04 0.03 0.01 -0.05 -0.03 -0.05 -0.01 0.05 0.03 -0.03 0.01 -0.01 0.27 -0.02 -0.04 -0.12 -0.06 0.19 0.06 -0.03 -0.07 0.07 -0.01 -0.04 0.02 -0.01 0.00 -0.06 -0.04 -0.00 -0.05 0.05 -0.06 -0.04 -0.13 0.10 0.28 0.07 0.32 0.19 -0.09 -0.02 0.03 0.03 -0.07 -0.07 -0.06 -0.03 -0.09 -0.10 0.03 -0.01 0.03 0.03 0.02 0.01 0.03 0.08 -0.02 -0.03 0.13 -0.12 -0.03 0.05 0.00 -0.01 -0.11 0.24 0.21 -0.11 -0.03 -0.01 -0.08 -0.19 -0.17 -0.16 0.02 -0.09 0.03 0.02 0.06 -0.07 -0.06 -0.07 -0.08 -0.05 -0.09 0.10 -0.04 0.04 -0.05 -0.09 -0.05 0.03 -0.11 0.02 -0.01 0.03 0.01 0.13 -0.00 0.03 0.06 -0.23 -0.06 -0.10 -0.10 -0.01 -0.03 0.03 0.12 0.02 0.13 -0.10 -0.08 -0.07 0.07 -0.03 0.39 0.06 0.00 -0.02 -0.00 0.04 -0.00 -0.02 0.06 0.08 -0.06 -0.03 0.02 0.02 0.02 -0.00 -0.01 0.04 -0.01 0.02 0.02 -0.02 -0.02 -0.02 0.00 0.02 0.01 0.01 0.01 -0.01 -0.00 -0.02 -0.01 0.01 0.02 -0.01 0.00 -0.00 0.00 -0.34 -0.05 -0.02 -0.32 -0.10 -0.09 0.05 0.17 -0.06 0.05 0.14 -0.03 0.01 0.06 -0.09 0.18 -0.17 -0.09 0.27 -0.23 -0.05 -0.05 0.02 -0.11 -0.05 -0.00 0.03 0.02 0.01 0.02 0.07 -0.02 0.10 0.15 -0.07 0.04 0.09 -0.03 -0.06 0.01 0.03 -0.00 -0.02 0.00 -0.06 0.00 0.04 0.01 0.04 0.06 0.02 -0.09 -0.02 -0.03 0.08 0.05 -0.03 -0.02 -0.02 -0.02 -0.03 -0.04 -0.07 -0.02 0.00 0.03 0.03 -0.02 -0.04 -0.02 -0.05 0.00 -0.01 -0.02 0.04 -0.00 0.00 0.05 -0.01 -0.01 -0.01 -0.01 -0.03 0.02 -0.02 -0.01 0.00 -0.03 -0.01 -0.03 -0.00 -0.06 0.07 -0.02 0.05 -0.04 0.00 0.06 0.00 0.03 -0.03 -0.15 0.05 -0.04 0.04 0.04 -0.02 0.01 0.04 0.03 -0.03 -0.01 0.04 -0.02 -0.04 0.06 0.08 -0.04 -0.07 -0.03 0.02 0.04 -0.04 0.01 -0.02 -0.02 0.03 0.00 0.02 -0.00 -0.02 -0.01 -0.01 -0.02 -0.01 -0.01 0.04 0.01 0.00 -0.03 0.02 0.00 -0.00 0.18 -0.09 -0.04 0.10 -0.02 0.04 0.03 -0.00 -0.02 -0.02 0.06 0.11 -0.02 0.06 0.10 -0.03 0.04 -0.05 -0.02 0.05 -0.05 -0.01 -0.00 -0.00 0.32 0.15 0.62 -0.03 -0.03 0.01 0.03 0.09 -0.11 -0.12 -0.07 -0.05 -0.18 -0.18 0.07 -0.01 -0.01 0.04 0.19 -0.11 -0.04 0.15 -0.10 -0.04 -0.04 -0.00 -0.06 -0.04 0.15 0.05 0.03 -0.10 -0.06 0.03 0.03 0.03 0.02 0.02 0.03 0.10 0.06 -0.07 -0.07 -0.08 0.08 0.09 0.01 0.09 -0.05 -0.00 0.00 -0.04 -0.01 0.02 -0.02 -0.03 -0.03 0.02 -0.03 0.00 -0.00 0.00 0.00 -0.07 -0.01 -0.01 0.05 0.09 0.03 0.02 -0.10 0.02 0.00 -0.02 -0.05 -0.01 -0.01 0.01 0.02 0.15 0.10 -0.02 0.13 0.02 -0.04 0.08 -0.02 -0.01 -0.00 0.00 -0.11 -0.10 0.06 0.16 -0.06 -0.08 0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.05 0.04 0.03 0.01 -0.24 -0.03 0.09 -0.04 -0.12 0.08 -0.02 -0.06 -0.00 0.03 0.09 0.00 -0.01 0.01 0.01 -0.04 0.04 0.00 0.03 -0.01 -0.36 0.16 -0.48 0.00 -0.00 0.00 -0.11 -0.20 0.18 -0.08 -0.20 0.21 0.06 0.02 0.02 0.14 -0.12 -0.12 0.22 -0.17 -0.19 0.03 -0.05 -0.04 0.01 0.00 0.01 -0.01 -0.01 -0.00 -0.01 0.03 0.03 -0.02 -0.00 0.00 -0.01 -0.03 -0.02 -0.02 -0.02 0.02 0.02 0.02 -0.02 -0.02 -0.00 -0.02 0.01 0.00 0.00 0.01 0.00 -0.01 0.00 -0.01 -0.04 0.01 -0.01 0.01 0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.01 0.01 -0.01 -0.01 0.01 0.01 -0.00 -0.02 -0.00 -0.00 0.00 0.04 -0.01 0.01 -0.01 0.02 0.01 -0.00 -0.01 -0.01 -0.00 0.00 0.00 0.01 0.01 -0.01 -0.02 0.01 0.02 -0.02 -0.00 0.04 -0.00 -0.01 0.01 0.04 0.05 -0.07 0.00 0.00 -0.01 -0.00 -0.01 0.01 -0.08 -0.10 0.13 0.04 0.05 -0.07 0.02 0.03 -0.04 -0.05 0.03 0.01 -0.03 -0.05 0.00 0.01 -0.01 -0.01 0.02 -0.02 -0.03 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 -0.08 -0.05 -0.15 0.02 -0.02 -0.03 -0.01 -0.02 0.03 0.03 0.02 0.01 0.04 0.04 -0.02 0.00 0.00 -0.01 -0.05 0.03 0.01 -0.04 0.03 0.01 -0.09 -0.00 -0.10 0.07 0.11 0.04 0.01 0.03 -0.02 0.01 -0.05 -0.06 -0.00 0.06 0.02 0.22 0.27 -0.37 -0.23 -0.30 0.41 0.23 -0.04 0.24 -0.33 -0.07 -0.11 -0.07 -0.10 0.13 0.06 -0.03 -0.11 0.02 -0.04 -0.01 0.02 -0.04 0.00 -0.11 -0.02 0.00 -0.06 0.14 0.09 0.09 -0.14 0.11 0.02 -0.03 -0.09 -0.02 0.03 -0.03 0.08 -0.07 -0.07 0.02 0.16 0.02 0.03 -0.06 -0.00 -0.06 -0.05 0.09 0.04 0.03 -0.03 -0.11 0.04 0.07 -0.05 0.05 0.08 -0.03 0.03 -0.03 -0.05 -0.01 0.06 0.04 0.02 -0.06 -0.00 -0.01 -0.03 0.03 0.04 -0.03 -0.01 -0.03 0.01 0.01 -0.02 0.02 -0.11 0.29 0.08 0.10 -0.29 0.06 0.11 -0.06 -0.15 0.11 -0.05 -0.13 0.01 0.00 0.06 0.02 0.05 -0.02 0.02 -0.04 0.06 0.01 0.12 -0.07 0.14 -0.18 0.08 0.03 -0.10 0.01 0.04 0.05 -0.05 0.04 0.07 -0.06 0.00 0.00 -0.02 -0.04 0.07 0.04 -0.22 0.16 0.14 -0.04 0.06 0.01 -0.02 -0.05 -0.11 -0.12 0.35 0.10 0.01 -0.13 -0.03 0.01 0.08 0.11 0.02 -0.09 -0.02 -0.01 -0.08 0.12 0.03 0.07 -0.12 -0.02 0.04 -0.03 0.12 0.04 0.07 -0.02 0.03 -0.05 -0.05 -0.03 0.16 -0.02 -0.02 -0.07 -0.02 0.04 -0.01 -0.07 0.00 0.01 0.02 0.09 0.11 0.06 -0.11 0.00 0.02 -0.02 -0.07 -0.02 0.00 -0.01 -0.01 -0.01 -0.10 -0.03 0.11 -0.03 0.02 -0.01 0.01 0.03 0.05 -0.08 0.01 -0.00 0.02 -0.03 0.00 0.01 0.07 -0.04 -0.12 0.03 -0.04 0.03 0.05 0.01 -0.06 -0.05 -0.04 0.08 0.00 0.01 0.04 -0.01 -0.03 0.01 0.01 0.02 0.00 -0.02 0.01 -0.01 0.02 0.21 0.10 0.16 -0.03 0.00 0.04 -0.04 -0.06 0.05 -0.04 -0.10 0.01 -0.01 -0.01 0.04 -0.01 0.02 0.03 -0.06 0.06 0.02 0.10 -0.08 0.28 0.01 0.33 -0.11 0.14 0.05 0.05 0.08 -0.09 -0.05 -0.03 -0.05 -0.08 -0.10 0.02 -0.03 0.04 0.04 -0.03 0.04 0.06 0.05 -0.01 -0.02 0.05 0.09 0.21 0.10 -0.51 -0.15 -0.01 0.14 0.03 -0.00 -0.09 -0.11 -0.03 0.11 0.02 -0.00 0.05 -0.08 -0.00 -0.03 0.07 -0.01 -0.03 -0.01 -0.08 -0.03 -0.06 0.03 -0.02 0.03 0.03 0.01 0.09 -0.01 0.02 -0.10 -0.00 0.01 -0.01 0.03 -0.07 -0.02 -0.14 0.05 -0.11 0.07 0.05 0.19 -0.06 -0.02 0.05 0.04 0.04 -0.05 0.06 -0.01 0.07 -0.01 -0.03 -0.06 0.01 -0.03 -0.02 0.05 -0.01 0.03 -0.00 -0.01 -0.03 -0.02 0.01 0.03 0.04 0.00 -0.07 -0.02 0.01 -0.01 -0.01 0.04 -0.01 -0.04 -0.04 0.03 -0.02 -0.01 -0.02 -0.02 0.01 0.01 -0.01 -0.01 -0.02 0.03 -0.01 0.01 0.20 -0.20 -0.08 0.07 -0.32 0.07 0.15 -0.03 -0.20 0.04 0.10 0.17 -0.03 0.12 0.21 -0.11 0.15 -0.15 -0.09 0.13 -0.08 -0.05 -0.16 0.15 -0.22 -0.14 -0.27 0.03 0.06 0.12 -0.07 -0.09 0.10 0.07 0.07 0.02 0.06 0.09 -0.00 0.03 -0.01 -0.04 -0.08 0.04 0.00 -0.08 0.04 0.02 0.04 0.08 0.15 -0.07 -0.19 -0.07 0.03 -0.12 -0.07 0.04 0.04 0.04 0.03 0.01 0.04 0.02 0.02 -0.01 -0.05 0.00 -0.02 0.06 0.03 0.05 0.04 0.02 0.05 -0.04 0.01 -0.01 -0.01 -0.00 0.01 0.00 -0.00 -0.01 0.00 0.01 -0.00 -0.01 0.06 0.02 0.06 -0.03 0.04 -0.11 -0.03 -0.01 0.02 0.02 -0.05 -0.00 -0.02 0.05 -0.00 0.01 -0.02 -0.02 0.02 -0.00 -0.00 0.01 0.01 0.17 -0.05 0.08 -0.00 0.00 0.01 0.01 -0.00 -0.01 0.05 0.01 -0.04 -0.04 0.04 -0.00 -0.06 0.07 -0.02 -0.06 -0.04 -0.01 -0.02 -0.02 -0.07 -0.06 0.05 0.02 -0.06 -0.03 -0.06 0.13 -0.06 0.03 0.05 -0.01 0.03 -0.13 0.05 0.02 -0.03 -0.02 0.09 0.06 -0.08 -0.16 0.00 -0.06 -0.01 0.01 -0.13 0.09 0.01 0.00 -0.03 0.01 -0.03 -0.02 0.06 0.05 0.05 0.29 0.01 0.14 0.03 0.02 -0.03 -0.03 -0.03 0.00 -0.01 -0.02 -0.01 -0.01 0.01 0.01 0.03 -0.01 -0.00 0.03 -0.01 -0.01 0.01 0.10 0.13 -0.15 -0.02 -0.03 0.05 -0.29 -0.11 0.05 0.13 0.15 0.06 -0.12 0.01 -0.02 0.06 -0.00 -0.27 0.03 -0.10 0.27 0.16 0.24 0.22 0.12 0.27 -0.22 0.05 -0.08 -0.00 0.00 -0.01 0.00 -0.00 0.02 -0.00 0.01 0.01 0.00 -0.03 -0.01 -0.02 0.01 -0.01 0.05 0.01 -0.01 -0.00 -0.01 0.03 -0.00 0.01 -0.03 -0.00 -0.00 0.00 0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.09 0.05 -0.03 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.03 -0.03 0.03 0.04 -0.02 0.02 -0.02 -0.06 -0.05 -0.01 0.02 -0.02 0.06 -0.00 0.05 -0.04 0.06 0.02 -0.06 -0.02 -0.04 0.11 -0.07 0.01 -0.06 0.03 -0.01 0.07 0.03 -0.01 -0.01 0.02 -0.03 -0.05 0.04 0.09 0.01 0.02 -0.04 0.01 0.06 -0.04 0.00 -0.02 0.03 0.00 0.04 -0.01 -0.01 -0.01 -0.01 -0.14 0.00 -0.08 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 0.08 -0.10 -0.06 0.17 -0.06 0.02 -0.09 0.34 0.18 -0.10 -0.18 -0.17 -0.09 -0.01 -0.12 -0.14 0.11 -0.03 -0.31 0.10 -0.14 0.26 0.18 0.23 0.23 0.14 0.29 -0.29 0.07 -0.12 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.02 -0.00 -0.02 -0.01 0.01 0.01 0.00 0.01 0.00 -0.01 0.01 -0.00 0.01 -0.02 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.06 -0.01 0.05 0.00 -0.00 0.01 -0.02 0.12 0.00 0.03 -0.11 -0.01 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.05 0.02 0.01 0.01 0.03 0.01 -0.01 0.01 -0.01 -0.04 0.02 0.05 0.01 0.00 -0.04 0.01 0.06 -0.03 -0.00 -0.01 0.03 0.00 0.03 0.00 -0.00 0.03 -0.03 0.01 0.00 0.01 0.32 0.10 -0.19 -0.18 -0.35 0.16 0.27 0.08 -0.25 0.34 0.04 -0.18 -0.28 0.25 0.16 0.29 0.02 -0.25 0.01 0.01 0.01 -0.01 -0.01 -0.01 0.00 -0.01 -0.00 0.00 0.01 0.01 0.00 -0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.04 -0.02 0.07 -0.01 0.00 -0.06 -0.00 -0.01 0.01 -0.00 0.07 -0.04 0.01 0.00 -0.00 -0.06 -0.02 0.03 -0.04 0.08 -0.03 0.05 -0.07 0.04 -0.00 -0.00 0.01 -0.00 0.02 -0.03 -0.01 -0.01 0.01 0.03 0.04 -0.07 0.00 0.02 -0.00 -0.01 -0.02 0.00 -0.04 -0.04 0.07 0.01 -0.00 -0.01 -0.01 -0.03 0.02 0.03 0.05 -0.05 -0.01 -0.02 0.04 0.01 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.18 -0.14 0.01 -0.07 -0.07 0.02 0.03 -0.09 0.24 0.25 -0.20 -0.37 -0.11 -0.05 0.38 -0.09 0.08 -0.06 -0.09 0.00 0.08 -0.04 -0.23 0.27 -0.01 -0.02 0.00 -0.09 -0.04 -0.14 0.04 0.02 -0.03 -0.01 -0.02 0.01 0.02 0.01 -0.02 0.04 0.02 -0.02 -0.05 0.05 0.04 0.05 0.00 -0.04 -0.13 -0.05 -0.18 0.17 0.13 0.07 0.03 0.08 -0.06 0.04 -0.11 -0.14 -0.01 0.18 0.07 -0.05 -0.02 0.04 -0.03 0.01 -0.00 0.01 0.01 0.01 0.02 0.01 0.02 -0.03 0.01 -0.01 -0.02 0.01 -0.05 0.01 -0.01 0.04 0.00 0.00 -0.01 0.03 -0.02 -0.08 -0.03 0.02 0.00 0.04 -0.03 -0.03 -0.03 0.08 0.06 0.02 -0.09 -0.05 0.02 0.01 -0.02 0.00 0.01 0.02 0.01 0.01 -0.01 -0.04 -0.03 0.05 -0.01 -0.01 0.01 -0.01 0.01 -0.00 0.03 0.03 -0.05 -0.01 -0.00 0.01 0.01 0.02 -0.02 -0.02 -0.03 0.04 0.02 0.02 -0.02 -0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.06 0.04 0.00 0.05 0.27 0.07 -0.11 -0.01 0.35 0.04 -0.13 -0.17 -0.08 -0.08 0.18 -0.03 0.42 -0.23 -0.07 -0.20 0.37 -0.01 -0.04 0.30 0.02 -0.01 -0.02 0.04 0.03 0.10 -0.01 -0.00 0.00 -0.01 -0.01 0.00 -0.02 -0.02 0.01 -0.04 0.00 0.02 0.02 -0.02 -0.01 -0.02 -0.00 0.02 0.11 0.02 0.13 -0.12 -0.11 -0.05 -0.03 -0.02 0.06 -0.04 0.07 0.09 0.00 -0.13 -0.06 0.04 0.02 -0.04 0.02 0.00 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 0.02 -0.00 0.01 -0.01 -0.02 0.04 0.00 -0.01 -0.02 -0.00 -0.00 0.01 0.03 -0.04 -0.02 -0.08 0.03 0.00 -0.02 -0.09 -0.00 0.03 -0.02 0.07 -0.01 0.00 -0.03 0.08 0.02 -0.03 -0.04 0.04 0.00 0.01 0.02 -0.01 0.09 0.02 -0.04 -0.03 -0.02 0.01 -0.00 0.02 0.00 -0.02 -0.03 0.05 0.00 0.01 -0.01 -0.01 -0.01 0.02 0.01 0.03 -0.05 -0.03 -0.01 0.00 0.00 0.01 -0.02 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.16 -0.08 0.01 0.07 0.68 0.23 -0.12 0.09 0.00 -0.21 0.10 0.24 0.06 -0.02 -0.26 0.02 0.07 -0.03 0.01 -0.04 0.05 0.01 0.06 -0.03 0.03 -0.01 -0.10 0.06 -0.02 -0.08 -0.00 -0.04 0.02 -0.04 -0.08 0.05 0.02 -0.00 -0.01 -0.03 -0.01 0.01 0.04 -0.03 -0.03 -0.05 0.01 0.04 -0.14 0.01 -0.12 0.09 0.12 0.05 0.04 -0.07 -0.10 0.06 -0.01 -0.03 0.02 0.10 0.08 -0.06 -0.07 0.10 -0.05 -0.05 0.06 0.02 0.00 0.02 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.02 0.00 0.02 -0.01 0.01 0.01 0.03 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.03 -0.01 -0.00 -0.01 0.00 -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 -0.00 -0.01 0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.03 0.04 -0.05 0.01 0.01 -0.01 0.02 0.02 -0.03 -0.11 0.08 0.00 -0.01 -0.18 -0.06 0.01 -0.01 0.01 0.01 -0.00 -0.01 -0.00 0.00 0.02 0.01 0.10 -0.05 -0.00 -0.04 0.08 0.00 0.04 0.03 0.03 0.01 0.05 0.03 0.02 0.01 -0.01 -0.01 0.02 0.01 0.01 0.01 0.01 0.02 -0.00 0.01 -0.02 -0.02 0.00 -0.01 -0.02 -0.03 0.01 0.01 -0.03 0.01 -0.01 0.03 -0.01 -0.00 -0.00 -0.03 0.01 -0.01 0.03 0.03 0.01 -0.04 -0.01 -0.31 -0.37 0.50 -0.25 -0.31 0.42 0.13 -0.01 0.12 -0.15 -0.02 -0.05 -0.03 -0.03 0.04 0.02 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 -0.02 0.00 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 0.02 0.00 0.04 0.00 0.01 -0.00 0.00 -0.01 -0.00 -0.03 -0.00 0.01 0.05 0.01 0.07 -0.06 -0.01 -0.08 0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.01 0.01 0.00 -0.00 0.01 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.01 0.08 -0.06 -0.01 0.02 0.11 0.04 0.01 0.00 -0.02 0.01 0.00 -0.00 -0.00 0.01 0.01 -0.01 -0.10 0.05 0.00 0.05 -0.08 -0.00 -0.04 -0.03 -0.24 -0.05 -0.33 -0.02 0.01 0.02 0.12 0.25 -0.24 -0.08 0.01 -0.15 -0.25 -0.27 0.09 -0.24 0.21 0.28 0.10 0.03 0.18 0.38 -0.18 -0.10 0.04 -0.01 0.03 -0.02 -0.03 -0.01 -0.01 0.02 0.03 -0.02 0.00 0.01 -0.01 -0.03 -0.02 -0.06 -0.08 0.10 -0.05 -0.07 0.09 0.03 -0.00 0.02 -0.04 -0.01 -0.01 -0.01 -0.01 0.01 0.07 0.01 -0.03 -0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.06 -0.02 -0.03 0.02 -0.04 -0.02 -0.08 -0.03 -0.01 0.01 -0.02 0.01 0.00 0.09 -0.01 -0.01 0.01 0.02 0.03 -0.00 -0.00 -0.02 0.00 -0.11 -0.01 0.04 -0.01 0.00 -0.04 0.01 -0.01 0.04 0.02 0.03 -0.04 -0.01 -0.01 0.01 0.01 0.00 -0.02 -0.01 -0.03 0.05 0.03 0.01 0.00 0.01 0.01 -0.01 0.01 0.00 -0.00 0.00 0.01 -0.01 0.31 -0.23 -0.02 0.03 0.40 0.12 0.02 -0.01 -0.01 0.05 -0.01 -0.05 -0.02 0.02 0.07 -0.04 -0.33 0.17 0.00 0.15 -0.24 -0.01 -0.15 -0.06 0.04 -0.02 0.10 -0.07 0.02 0.07 -0.05 -0.11 0.11 0.06 0.03 0.05 0.12 0.14 -0.04 0.15 -0.07 -0.14 -0.10 0.04 -0.03 -0.12 0.08 0.01 0.13 -0.02 0.10 -0.08 -0.10 -0.04 -0.04 0.08 0.10 -0.06 0.00 0.02 -0.03 -0.09 -0.07 -0.11 -0.13 0.18 -0.08 -0.12 0.16 0.04 -0.01 0.04 -0.07 -0.01 -0.03 -0.01 -0.01 0.02 -0.02 -0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.05 -0.03 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.00 -0.01 -0.01 -0.00 -0.00 0.01 0.00 0.01 -0.01 -0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.03 0.11 0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.06 -0.15 -0.04 -0.04 0.06 0.11 -0.07 0.15 0.09 0.07 0.04 -0.02 0.12 -0.07 -0.08 -0.04 -0.01 -0.02 -0.03 -0.02 -0.03 0.02 0.03 0.04 0.02 -0.01 -0.00 0.02 0.03 0.00 0.03 -0.01 -0.03 0.02 0.01 0.01 -0.01 0.02 0.04 -0.01 -0.02 0.00 -0.01 0.02 -0.02 -0.00 -0.03 0.01 -0.01 -0.01 0.00 0.11 0.23 0.14 -0.01 -0.00 0.00 0.01 0.02 -0.01 -0.01 0.00 0.01 0.01 0.00 -0.01 -0.02 0.01 0.01 0.01 0.00 -0.01 -0.15 -0.12 -0.17 0.14 -0.11 -0.06 -0.12 0.13 0.23 -0.23 -0.15 -0.06 -0.10 -0.45 -0.38 0.19 -0.06 -0.01 0.15 -0.06 -0.02 -0.04 -0.07 -0.05 0.00 -0.05 -0.07 0.23 -0.03 0.11 0.12 0.01 0.01 -0.00 0.01 -0.06 0.01 -0.01 -0.02 -0.00 0.00 0.03 -0.03 -0.06 -0.01 -0.08 0.02 0.10 0.09 0.04 0.00 -0.06 -0.01 -0.02 0.04 -0.00 -0.02 -0.02 0.01 -0.04 0.00 0.02 -0.00 -0.07 -0.02 0.04 -0.03 0.01 0.02 0.01 0.03 -0.01 -0.00 0.02 -0.04 0.01 0.04 -0.01 -0.02 0.04 0.02 0.00 -0.02 0.04 0.02 -0.06 0.04 -0.01 0.00 -0.01 -0.01 -0.01 -0.01 0.01 0.01 0.01 0.05 -0.07 -0.00 -0.18 -0.24 0.04 -0.23 0.08 0.30 -0.11 -0.09 -0.12 0.06 -0.20 -0.32 0.12 0.04 0.03 0.09 -0.17 0.16 0.04 0.24 -0.15 0.03 0.01 -0.05 -0.11 -0.05 -0.00 0.07 -0.00 -0.03 -0.08 -0.14 0.08 0.06 0.01 -0.06 -0.08 -0.01 0.04 0.12 -0.09 -0.07 -0.06 -0.02 0.06 0.07 -0.01 0.06 -0.12 -0.03 -0.04 -0.00 0.20 -0.00 -0.02 -0.23 -0.24 -0.07 0.12 -0.04 0.03 -0.06 0.05 0.03 -0.05 0.03 -0.01 -0.02 -0.01 -0.01 -0.02 -0.03 0.07 -0.01 0.04 0.03 -0.01 0.02 -0.01 0.00 -0.03 -0.01 0.01 0.02 -0.00 0.01 0.00 -0.02 -0.01 -0.03 -0.00 0.00 0.05 0.05 0.03 0.00 -0.05 -0.01 0.00 0.00 -0.00 0.01 0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.03 0.07 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.05 0.04 -0.05 -0.10 0.04 0.03 -0.06 -0.05 -0.00 0.04 -0.04 -0.00 0.11 -0.07 0.02 -0.00 0.03 0.03 0.01 0.03 -0.02 -0.01 -0.03 0.13 -0.09 -0.02 -0.05 -0.15 0.01 -0.14 0.05 0.20 -0.05 -0.07 -0.09 0.02 -0.12 -0.16 0.08 -0.04 0.06 0.07 -0.12 0.08 0.03 0.16 -0.13 -0.02 -0.00 -0.02 0.06 0.20 0.12 0.00 -0.01 0.01 0.00 -0.01 0.01 0.01 0.01 -0.01 -0.00 -0.00 0.00 0.01 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.09 -0.08 0.26 -0.11 0.02 -0.06 -0.24 0.13 -0.06 0.37 0.41 0.09 -0.32 -0.04 -0.03 0.07 -0.05 -0.02 0.06 -0.02 0.01 0.03 0.02 -0.03 0.02 0.02 -0.12 0.01 -0.05 0.08 0.00 0.01 -0.00 0.00 -0.02 0.00 -0.00 0.00 0.01 -0.02 0.03 -0.01 -0.06 0.10 -0.09 0.02 -0.01 -0.04 -0.04 -0.02 0.08 0.03 -0.02 0.07 -0.03 -0.08 -0.01 -0.00 -0.02 0.02 0.03 -0.02 -0.05 0.00 -0.00 -0.07 0.03 0.05 0.01 0.07 -0.02 -0.00 0.01 0.01 -0.02 -0.04 0.02 0.01 -0.01 -0.02 0.01 0.00 0.01 0.02 0.04 -0.02 0.00 -0.00 0.01 0.00 0.00 0.01 -0.00 -0.00 -0.01 -0.25 0.04 0.09 -0.06 0.07 -0.01 0.16 -0.06 -0.24 0.07 0.07 0.09 -0.01 0.11 0.14 -0.14 0.09 -0.12 -0.13 0.22 -0.14 -0.05 -0.25 0.20 0.10 -0.07 -0.02 -0.00 0.03 0.02 0.17 0.03 -0.09 -0.20 -0.32 0.16 0.10 -0.03 -0.12 -0.18 -0.02 0.09 0.21 -0.16 -0.12 -0.13 -0.02 0.13 0.03 -0.02 0.00 0.02 -0.02 0.00 -0.04 -0.02 0.10 -0.06 0.10 0.13 0.01 -0.14 -0.06 -0.01 0.01 -0.01 0.00 0.01 -0.00 0.01 0.00 0.01 -0.02 0.00 -0.00 -0.03 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.02 0.03 0.07 0.09 -0.12 -0.06 -0.08 0.11 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 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 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.02 -0.01 -0.00 -0.00 -0.01 0.00 0.00 0.01 0.01 0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.19 -0.25 0.34 -0.41 0.14 -0.35 0.55 0.03 0.13 0.12 0.17 -0.24 0.02 -0.00 -0.07 0.01 -0.00 0.02 0.00 0.01 0.01 -0.00 -0.00 0.00 0.01 -0.02 -0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.01 0.01 0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.04 0.16 0.17 -0.00 0.00 0.00 0.00 0.01 -0.00 0.08 -0.14 -0.02 0.04 0.09 -0.05 -0.04 -0.02 -0.01 -0.12 -0.02 -0.10 -0.08 -0.07 0.00 0.07 0.01 0.04 0.05 0.00 0.03 -0.04 -0.00 -0.03 -0.15 0.09 -0.02 -0.01 0.09 0.04 0.03 -0.01 -0.03 0.02 0.00 -0.00 -0.01 0.02 0.04 -0.02 -0.01 -0.01 -0.02 0.05 -0.04 -0.01 -0.04 0.02 0.01 0.01 0.00 0.01 0.27 0.28 0.01 0.00 -0.01 -0.01 -0.02 0.01 0.01 0.00 -0.01 -0.02 -0.01 0.01 0.02 -0.02 -0.02 -0.02 -0.00 0.01 0.20 -0.27 -0.08 0.29 -0.29 -0.04 0.12 -0.15 -0.31 0.17 -0.10 -0.16 0.03 0.29 0.19 0.08 -0.01 0.07 0.04 0.01 0.03 -0.04 -0.00 -0.02 -0.06 -0.00 -0.03 -0.09 0.00 -0.04 0.09 -0.00 0.02 0.00 0.01 -0.05 0.00 -0.00 -0.00 0.00 -0.01 0.02 0.07 -0.02 0.00 -0.11 -0.02 0.06 0.01 -0.04 0.00 0.03 -0.01 -0.04 -0.02 0.06 0.02 -0.04 0.00 -0.03 -0.03 0.00 0.02 -0.04 -0.00 0.00 0.06 -0.05 -0.04 -0.01 -0.06 0.02 -0.00 0.01 -0.00 -0.01 -0.02 0.01 0.00 -0.00 -0.01 0.01 0.00 0.01 0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.32 0.38 -0.04 -0.21 0.25 0.17 0.03 0.00 -0.11 -0.05 0.06 0.12 0.03 0.04 -0.05 -0.04 0.18 -0.12 -0.06 0.01 0.06 -0.01 -0.05 0.12 0.03 0.26 -0.02 -0.02 0.01 0.00 -0.19 -0.02 0.09 0.18 0.31 -0.17 -0.14 -0.01 0.15 0.17 0.02 -0.08 -0.18 0.13 0.09 0.12 0.02 -0.12 0.02 -0.01 0.01 0.00 -0.02 -0.00 -0.02 0.02 0.05 -0.03 0.03 0.04 -0.00 -0.05 -0.03 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 0.04 0.00 -0.01 -0.00 -0.00 0.02 0.01 0.00 0.00 -0.01 0.02 -0.02 -0.01 0.07 0.10 -0.07 0.03 -0.09 0.01 -0.05 0.03 0.02 -0.03 -0.03 -0.00 0.03 -0.04 -0.02 0.01 0.00 0.04 0.01 0.04 -0.01 0.00 0.01 -0.01 -0.03 -0.03 -0.04 -0.03 -0.02 0.03 0.01 0.01 -0.02 0.01 0.01 -0.02 0.01 -0.01 -0.05 -0.02 -0.03 0.01 -0.01 -0.01 0.03 0.01 0.02 0.02 -0.00 0.01 -0.02 0.00 -0.01 0.51 -0.35 0.15 -0.07 -0.33 -0.22 -0.01 0.04 -0.14 -0.12 0.10 0.21 0.05 0.05 -0.16 -0.03 0.14 -0.10 -0.05 -0.05 0.13 -0.01 -0.07 0.15 0.03 0.01 0.01 -0.01 -0.05 -0.06 -0.10 -0.11 0.12 0.09 0.08 0.03 0.03 0.09 0.03 0.00 0.11 0.05 -0.05 0.08 0.14 0.18 -0.05 -0.09 0.06 -0.02 0.01 -0.01 0.02 0.02 -0.01 0.03 0.03 -0.03 -0.03 -0.02 -0.02 -0.04 -0.05 0.06 -0.01 0.04 0.03 -0.01 0.02 -0.02 -0.00 -0.01 -0.02 -0.00 -0.01 -0.02 0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 0.01 0.00 -0.02 -0.03 0.02 -0.01 0.03 -0.01 0.01 -0.01 -0.01 0.01 0.01 -0.02 -0.01 -0.01 0.01 -0.00 -0.00 0.09 0.02 0.14 -0.00 -0.00 -0.00 -0.07 -0.00 -0.09 -0.05 -0.00 -0.09 -0.02 -0.00 -0.01 0.01 -0.00 -0.01 0.01 -0.01 0.01 0.02 0.01 0.02 -0.01 0.00 0.00 -0.01 -0.00 -0.01 -0.01 0.00 -0.00 0.01 -0.00 0.00 -0.18 0.14 -0.05 0.02 0.12 0.07 0.01 -0.02 0.03 0.04 -0.03 -0.06 -0.02 -0.01 0.06 0.01 -0.03 0.02 0.01 0.02 -0.04 0.00 0.02 -0.04 0.01 -0.01 0.02 0.01 0.03 0.03 -0.10 -0.32 0.27 0.13 0.00 0.23 0.28 0.36 -0.09 -0.24 0.21 0.27 0.17 -0.00 0.18 0.31 -0.20 -0.05 -0.02 0.00 -0.00 0.00 -0.01 -0.01 0.01 -0.01 -0.02 0.02 0.01 0.01 0.01 0.02 0.02 -0.03 0.01 -0.02 -0.01 0.00 -0.01 0.01 0.00 0.01 0.01 0.00 0.01 0.01 -0.00 0.01 0.03 -0.00 -0.04 0.00 -0.00 0.02 -0.02 -0.01 -0.02 -0.00 0.01 -0.01 -0.00 0.03 0.04 -0.03 0.01 -0.04 0.01 -0.02 0.01 0.01 -0.01 -0.01 0.00 0.01 -0.01 -0.01 0.00 0.00 -0.00 0.00 -0.01 -0.06 0.02 0.05 0.01 -0.01 0.01 -0.00 -0.01 0.01 -0.13 -0.05 -0.07 0.09 -0.01 -0.06 0.10 -0.05 0.05 0.19 0.07 0.13 -0.09 0.02 0.02 -0.09 -0.02 -0.07 -0.08 0.01 -0.04 0.06 -0.00 0.03 0.20 -0.15 0.06 -0.04 -0.13 -0.09 -0.00 0.02 -0.06 -0.05 0.04 0.09 0.02 0.02 -0.07 -0.02 0.06 -0.04 -0.02 -0.01 0.05 -0.01 -0.04 0.07 0.01 0.01 0.00 0.16 0.35 0.39 -0.02 0.01 -0.01 0.01 0.02 -0.03 -0.04 -0.03 0.02 0.04 0.00 -0.03 -0.04 0.03 0.02 0.01 0.02 -0.02 -0.12 -0.05 -0.05 0.08 -0.18 -0.09 0.08 -0.16 -0.20 0.18 0.11 0.06 0.08 0.21 0.23 -0.23 0.04 -0.13 -0.12 0.04 -0.07 0.07 0.01 0.05 0.07 0.01 0.05 0.08 -0.01 0.05 -0.03 0.00 -0.01 -0.01 0.00 -0.02 -0.00 -0.00 -0.00 0.17 0.05 0.03 -0.01 0.01 0.01 -0.07 -0.02 0.01 -0.09 -0.04 -0.02 -0.10 -0.04 -0.02 0.01 0.00 -0.00 0.11 0.01 -0.01 0.01 0.00 -0.01 -0.00 0.01 0.00 -0.01 0.00 0.01 -0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.01 0.01 -0.00 -0.00 0.01 -0.00 0.02 0.00 0.02 0.01 -0.01 0.00 -0.00 -0.01 -0.01 0.04 0.02 0.04 -0.02 -0.03 -0.03 0.10 -0.05 0.02 -0.25 0.08 0.10 0.25 -0.12 -0.26 0.19 0.09 0.10 -0.06 0.20 0.34 0.23 0.06 0.08 0.16 -0.30 0.23 0.06 0.37 -0.18 -0.01 -0.07 0.00 -0.08 0.02 0.04 0.01 0.00 -0.00 -0.02 -0.03 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.00 0.00 0.04 -0.04 -0.00 -0.05 0.02 -0.01 -0.00 0.02 0.01 -0.01 -0.02 -0.02 -0.01 -0.00 -0.02 -0.07 0.02 -0.03 0.04 0.02 0.03 0.01 0.05 0.01 -0.01 0.02 0.04 -0.16 0.02 -0.08 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.02 0.02 0.05 0.02 0.01 -0.00 0.00 0.00 -0.02 -0.01 0.00 -0.03 -0.01 -0.01 -0.03 -0.01 -0.01 0.00 -0.00 -0.00 0.02 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 0.03 0.02 0.03 0.03 -0.06 -0.02 0.03 -0.05 -0.02 -0.07 -0.02 -0.06 -0.02 0.03 0.01 0.02 0.06 0.05 -0.15 -0.09 -0.15 0.07 0.11 0.12 0.03 -0.01 0.00 -0.04 0.02 0.02 0.08 -0.04 -0.08 0.06 0.03 0.02 -0.02 0.06 0.11 0.07 0.02 0.03 0.05 -0.09 0.07 0.02 0.11 -0.06 -0.00 -0.02 0.00 -0.07 -0.02 -0.04 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 0.11 -0.06 -0.00 0.09 -0.03 0.03 -0.00 -0.03 0.00 0.03 0.09 0.08 0.04 0.03 0.07 0.25 -0.05 0.12 -0.16 -0.10 -0.14 -0.05 -0.19 -0.06 0.03 -0.10 -0.18 0.65 -0.07 0.32 -0.02 -0.00 -0.00 -0.01 0.00 -0.03 -0.00 0.00 0.00 -0.06 0.05 -0.04 0.12 0.11 -0.07 -0.03 -0.02 0.01 0.03 -0.05 0.03 0.03 -0.05 -0.01 -0.08 -0.10 0.10 0.06 0.01 0.00 -0.00 -0.06 0.01 0.00 0.01 -0.00 -0.02 0.06 0.00 0.02 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 0.26 0.40 -0.10 -0.36 0.02 0.11 -0.06 0.08 -0.11 -0.15 0.08 0.19 0.07 0.03 -0.19 -0.05 0.12 -0.09 -0.07 -0.04 0.11 -0.01 -0.08 0.17 -0.15 -0.33 0.14 -0.05 0.00 0.01 0.14 0.04 -0.07 -0.08 -0.12 0.07 0.12 0.04 -0.12 -0.14 -0.05 0.06 0.13 -0.10 -0.08 -0.10 -0.03 0.11 0.03 -0.03 -0.00 -0.02 0.02 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 0.01 -0.00 0.00 -0.12 0.00 -0.02 -0.03 0.00 -0.04 -0.00 0.01 -0.00 -0.06 -0.04 -0.05 -0.04 -0.03 0.06 -0.01 0.00 0.05 0.05 0.01 0.02 0.05 0.03 0.02 0.04 0.05 -0.05 0.28 0.02 0.02 0.02 0.04 -0.02 0.02 0.03 -0.01 0.00 -0.03 0.01 -0.02 -0.02 0.01 -0.00 -0.01 -0.01 -0.00 -0.01 -0.00 0.01 -0.01 -0.01 -0.00 -0.02 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.00 0.01 0.01 -0.16 -0.23 0.08 -0.59 -0.05 0.20 -0.12 0.06 0.13 -0.12 -0.02 0.00 0.03 -0.10 -0.12 -0.11 -0.07 -0.01 -0.07 0.17 -0.14 -0.03 -0.18 0.06 0.05 0.05 -0.03 -0.21 0.02 0.02 -0.07 -0.03 0.04 0.01 0.01 -0.01 -0.06 -0.03 0.06 0.07 0.03 -0.03 -0.09 0.07 0.05 0.04 0.02 -0.05 0.20 -0.20 -0.04 -0.14 0.12 0.01 -0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.01 0.01 -0.02 0.01 -0.00 -0.02 -0.00 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.01 0.02 -0.00 0.01 0.02 -0.02 0.02 0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.02 -0.00 0.00 -0.01 0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.01 0.01 -0.05 -0.00 -0.00 -0.01 -0.01 0.01 0.01 0.09 -0.05 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.03 -0.01 -0.01 0.03 0.00 0.07 0.04 0.02 0.01 -0.02 -0.05 0.06 -0.03 -0.01 -0.03 -0.02 -0.01 -0.02 -0.01 0.01 0.00 0.01 -0.01 -0.00 0.04 0.04 -0.01 0.15 0.01 -0.04 0.01 -0.01 -0.00 0.02 -0.01 -0.02 -0.00 0.00 0.01 0.01 0.02 -0.01 0.00 -0.01 0.01 0.00 0.02 -0.00 -0.00 0.02 -0.01 -0.01 -0.03 -0.20 0.01 0.01 -0.01 0.01 0.01 -0.01 0.01 0.01 -0.01 -0.01 -0.01 0.00 0.02 -0.01 -0.01 -0.00 -0.01 0.01 0.54 -0.54 -0.11 -0.36 0.36 0.02 0.02 -0.14 -0.07 0.04 0.04 0.03 0.05 -0.03 0.05 -0.07 0.00 -0.03 -0.03 0.02 -0.00 0.01 0.01 0.01 0.01 0.01 0.02 -0.01 0.00 -0.01 0.03 0.00 -0.00 0.01 0.00 -0.00 0.01 -0.01 -0.00 0.02 0.02 -0.07 0.07 -0.01 -0.02 0.01 0.00 0.02 -0.00 -0.00 0.03 -0.01 -0.01 0.03 -0.04 0.04 0.01 -0.05 0.00 -0.01 0.17 0.08 -0.13 -0.03 -0.00 -0.00 -0.05 -0.03 0.04 -0.06 -0.03 0.05 0.00 0.02 -0.01 0.07 0.03 0.10 0.04 0.02 0.04 -0.02 -0.00 -0.03 -0.03 -0.02 -0.05 -0.02 -0.02 -0.03 -0.01 0.02 0.01 0.01 -0.01 0.00 -0.27 -0.07 -0.02 -0.03 -0.03 0.02 -0.03 0.02 0.01 -0.04 0.03 0.06 0.00 0.02 0.00 0.01 -0.08 0.06 0.03 -0.03 -0.00 0.00 -0.00 -0.04 -0.14 -0.48 0.17 -0.24 -0.21 -0.21 -0.03 -0.08 0.07 -0.12 -0.21 0.11 -0.07 -0.09 0.02 0.08 0.09 0.01 -0.25 0.18 0.15 0.01 0.08 -0.09 -0.08 0.09 0.01 0.10 -0.14 -0.02 0.03 -0.20 -0.09 0.05 0.04 0.02 0.06 -0.07 0.05 -0.06 -0.00 -0.04 -0.05 0.03 -0.01 0.01 0.02 0.01 0.01 0.01 0.02 -0.01 0.00 -0.01 -0.01 0.01 -0.02 -0.00 0.00 -0.00 0.01 -0.01 0.00 -0.01 -0.01 0.03 -0.04 0.01 0.02 -0.01 -0.00 -0.01 0.00 -0.00 -0.01 0.01 0.00 -0.01 0.02 -0.02 -0.01 0.05 -0.00 0.01 -0.09 -0.05 0.07 -0.05 -0.01 0.01 0.03 0.02 -0.02 0.04 0.02 -0.03 0.01 0.03 -0.01 0.10 0.04 0.15 0.05 0.03 0.05 -0.03 -0.00 -0.05 -0.04 -0.02 -0.07 -0.03 -0.02 -0.04 -0.02 0.02 0.01 0.01 -0.01 0.00 0.13 0.02 0.02 -0.05 0.02 0.01 0.01 -0.01 -0.01 0.01 -0.01 -0.02 -0.00 -0.01 -0.00 -0.01 0.03 -0.03 -0.02 0.02 0.00 -0.00 -0.00 0.02 0.08 0.27 -0.10 -0.48 -0.31 -0.27 0.02 0.04 -0.04 0.07 0.12 -0.06 0.04 0.05 -0.01 -0.04 -0.05 -0.01 0.14 -0.10 -0.08 -0.00 -0.05 0.05 -0.18 0.20 0.04 0.18 -0.25 -0.04 0.04 -0.29 -0.13 0.08 0.06 0.02 0.09 -0.11 0.07 -0.09 0.00 -0.06 -0.08 0.05 -0.02 0.02 0.02 0.01 0.02 0.01 0.03 -0.01 0.00 -0.01 -0.02 0.01 -0.01 -0.01 0.00 0.01 -0.00 0.00 0.00 -0.05 -0.10 0.22 -0.03 -0.04 -0.03 -0.06 0.00 -0.05 0.02 0.03 -0.07 0.02 0.03 -0.07 -0.01 0.03 0.05 0.08 -0.02 0.00 0.07 0.05 -0.06 0.00 -0.00 0.01 -0.02 -0.02 0.01 -0.02 -0.02 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 0.60 0.37 -0.06 0.22 0.17 -0.07 0.07 -0.06 0.04 0.10 -0.11 -0.23 -0.02 -0.12 -0.02 -0.04 0.23 -0.16 -0.09 0.11 -0.05 0.02 0.08 0.03 -0.08 -0.14 0.04 -0.10 -0.01 0.02 -0.04 -0.04 0.05 -0.05 -0.08 0.04 -0.04 -0.03 0.02 0.05 0.04 0.00 -0.12 0.08 0.06 -0.01 0.05 -0.05 -0.04 0.03 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 -0.01 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 -0.02 -0.01 0.02 -0.00 0.00 -0.00 0.03 -0.03 -0.01 0.00 -0.02 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.08 -0.06 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.12 0.14 0.05 0.03 0.02 0.01 -0.02 0.04 0.03 -0.04 -0.02 -0.04 0.00 -0.01 0.01 -0.02 0.00 -0.01 -0.00 0.02 0.01 0.00 -0.01 -0.01 0.04 0.03 0.00 -0.07 0.01 0.02 0.00 -0.01 0.01 0.00 -0.01 -0.01 -0.01 -0.01 0.01 -0.00 0.01 -0.00 -0.00 0.01 -0.02 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.39 0.10 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 0.42 -0.32 0.03 0.56 -0.36 -0.00 0.02 0.01 -0.02 0.02 -0.02 -0.03 -0.01 -0.00 -0.01 0.11 -0.05 0.03 0.11 -0.03 0.04 0.02 0.03 0.01 0.00 0.02 0.03 -0.04 -0.00 -0.02 -0.02 0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.08 0.16 0.12 0.02 -0.01 -0.08 -0.01 -0.03 0.04 0.03 -0.05 -0.02 0.02 -0.05 -0.05 0.00 0.00 -0.02 0.06 -0.01 0.00 -0.02 0.01 0.01 0.02 -0.00 0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.02 0.01 -0.00 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.37 -0.56 -0.04 0.44 0.10 -0.02 0.01 0.05 -0.19 0.01 -0.02 -0.00 0.07 0.06 -0.20 0.02 0.13 -0.09 -0.14 -0.04 0.19 0.02 0.08 0.22 -0.01 -0.13 0.04 -0.11 -0.01 0.02 -0.01 0.01 0.00 0.00 0.00 -0.01 -0.01 0.00 0.01 0.03 -0.01 -0.03 0.03 -0.03 -0.01 0.03 -0.01 -0.00 0.05 -0.04 0.01 0.07 -0.04 -0.01 -0.00 0.01 0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.01 0.06 -0.02 0.01 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.00 0.01 0.01 -0.00 0.00 0.00 -0.00 -0.01 0.02 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.04 -0.03 -0.07 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.07 -0.03 0.04 0.06 -0.04 -0.00 0.05 0.04 0.06 -0.05 -0.03 -0.05 -0.01 0.00 -0.00 -0.09 0.05 -0.01 -0.06 0.02 -0.01 0.02 -0.05 -0.03 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.12 0.28 0.31 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.09 0.07 -0.06 -0.19 0.15 0.06 -0.02 0.03 0.01 0.06 0.05 0.04 0.05 0.02 0.07 0.21 -0.07 0.07 0.67 -0.25 0.20 0.09 0.10 0.08 0.06 0.06 0.13 -0.07 -0.02 -0.05 -0.00 -0.01 -0.01 0.00 -0.00 0.01 -0.01 0.00 -0.00 0.01 -0.01 -0.02 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.07 0.07 0.11 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.07 0.02 -0.05 -0.03 -0.03 -0.02 -0.02 -0.05 -0.06 0.06 0.02 0.05 -0.00 0.01 0.00 -0.03 0.08 0.04 -0.02 -0.03 -0.03 0.00 -0.03 -0.02 0.03 0.07 0.00 0.02 -0.02 -0.02 -0.01 -0.00 0.02 -0.01 0.01 0.01 -0.00 0.00 0.02 -0.00 -0.02 0.01 0.02 -0.00 -0.01 -0.00 -0.02 -0.02 0.00 0.02 -0.01 -0.16 -0.39 -0.40 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.08 -0.07 0.07 0.19 -0.15 -0.07 -0.02 -0.00 0.03 -0.02 0.02 0.02 0.01 0.01 0.02 0.09 0.04 0.08 0.62 -0.27 0.16 0.06 0.03 0.05 0.05 0.03 0.06 -0.04 -0.01 -0.03 -0.00 0.01 -0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.07 -0.08 -0.04 -0.05 0.01 -0.04 -0.01 0.03 0.01 -0.03 0.00 -0.00 -0.01 0.01 -0.02 -0.02 0.03 0.03 -0.00 0.01 0.07 -0.02 -0.04 0.05 -0.02 -0.00 -0.02 0.01 0.01 0.00 -0.01 0.00 -0.02 0.01 0.01 -0.02 -0.01 -0.01 0.00 0.01 0.01 -0.00 -0.01 -0.01 0.01 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 0.10 0.31 -0.02 0.42 -0.09 -0.12 -0.12 0.04 0.03 -0.05 0.07 0.12 0.03 0.11 0.04 0.02 -0.09 0.05 0.03 -0.06 0.07 -0.03 -0.08 0.06 0.08 0.49 -0.13 -0.37 0.09 0.19 0.04 -0.06 0.04 -0.04 -0.07 0.04 -0.01 -0.06 -0.05 -0.08 0.04 0.11 -0.11 0.11 0.05 -0.13 0.04 0.02 0.08 -0.07 0.03 0.09 0.00 0.01 -0.01 0.03 0.03 -0.03 0.00 0.02 -0.01 0.02 -0.01 -0.02 0.00 -0.01 -0.07 0.03 -0.02 -0.01 -0.01 -0.02 -0.01 -0.01 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 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 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.02 -0.00 0.01 -0.04 -0.05 -0.06 0.04 0.01 0.03 -0.01 0.03 0.02 -0.01 -0.04 -0.03 -0.04 0.09 0.04 0.02 -0.02 -0.01 0.00 0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.02 -0.01 -0.03 -0.02 -0.03 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 0.01 0.00 -0.01 0.00 0.00 -0.02 0.02 0.02 -0.02 0.03 -0.01 0.06 -0.13 -0.06 -0.01 -0.05 -0.11 -0.02 -0.10 -0.02 0.80 -0.38 0.20 -0.18 0.15 0.01 0.00 0.12 -0.01 -0.06 0.04 0.10 -0.02 -0.00 -0.01 -0.01 -0.02 0.03 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.02 0.04 0.04 -0.01 -0.00 -0.01 0.04 -0.00 -0.00 0.00 -0.01 -0.01 0.01 -0.02 -0.01 -0.04 -0.03 0.03 0.02 0.00 -0.00 0.08 -0.04 -0.05 -0.08 0.02 -0.01 -0.02 0.03 0.01 0.01 -0.01 -0.00 0.03 -0.01 -0.01 0.03 0.03 0.03 -0.01 -0.02 -0.02 0.01 0.01 0.01 -0.02 0.00 -0.00 0.00 0.02 0.02 -0.00 -0.01 -0.01 -0.01 -0.00 -0.00 -0.02 -0.11 -0.00 -0.17 0.02 0.06 0.00 -0.00 -0.04 0.02 -0.00 -0.00 0.01 0.03 -0.03 0.01 0.03 -0.02 -0.05 0.01 0.03 0.01 0.05 0.05 0.09 0.55 -0.13 0.55 -0.08 -0.23 0.06 -0.08 0.06 -0.05 -0.09 0.05 -0.02 -0.09 -0.07 -0.09 0.06 0.13 -0.11 0.13 0.07 -0.17 0.04 0.04 -0.11 0.09 -0.07 -0.13 -0.02 -0.00 0.03 -0.07 -0.07 0.06 -0.02 -0.06 0.01 -0.08 0.01 -0.04 0.04 0.00 0.10 -0.05 0.02 0.02 -0.01 0.03 0.03 0.01 0.01 0.03 -0.01 0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.01 0.00 0.01 -0.00 0.00 0.03 0.00 0.01 -0.00 0.02 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.01 -0.01 0.00 -0.00 0.02 -0.01 -0.01 0.01 0.08 0.09 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.05 -0.12 -0.13 0.12 0.09 0.14 -0.06 -0.03 -0.06 0.04 -0.03 -0.01 -0.05 -0.07 -0.08 -0.02 0.06 0.03 0.03 -0.02 0.00 -0.02 -0.09 0.00 -0.14 0.02 0.04 0.03 -0.01 -0.02 0.02 -0.01 -0.02 -0.00 -0.01 -0.02 -0.00 0.03 -0.02 -0.02 0.01 -0.01 0.01 0.03 0.00 0.03 0.17 -0.04 0.13 -0.24 -0.31 0.02 -0.02 0.02 -0.02 -0.03 0.01 -0.01 -0.03 -0.02 -0.03 0.02 0.04 -0.03 0.04 0.02 -0.06 0.01 0.01 -0.00 -0.00 -0.03 0.04 -0.10 -0.02 -0.17 0.31 0.24 -0.16 0.14 0.33 0.01 0.40 0.06 0.15 -0.16 -0.02 -0.17 0.12 -0.01 -0.02 0.08 -0.05 -0.08 0.01 0.05 -0.07 0.02 -0.03 -0.02 -0.02 0.02 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.05 -0.07 -0.03 -0.07 0.01 -0.06 -0.00 0.04 0.01 -0.02 -0.00 -0.00 0.00 0.00 0.04 0.02 -0.01 0.09 0.00 -0.00 -0.04 0.04 0.02 -0.08 0.03 0.01 0.01 -0.02 -0.00 -0.01 0.00 0.01 0.04 -0.00 -0.00 0.02 0.00 -0.00 0.02 0.00 0.01 -0.01 0.00 -0.01 -0.00 -0.01 -0.01 -0.01 -0.00 -0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.11 0.33 -0.03 0.40 -0.08 -0.11 -0.14 0.05 0.05 -0.07 0.07 0.11 0.03 0.10 0.09 0.02 -0.11 0.05 0.05 -0.06 0.07 -0.04 -0.11 0.06 -0.04 -0.28 0.05 0.52 -0.11 -0.26 -0.05 0.05 -0.04 0.03 0.05 -0.03 0.02 0.07 0.05 0.06 -0.04 -0.09 0.06 -0.08 -0.06 0.13 -0.02 -0.04 -0.10 0.08 -0.10 -0.12 -0.08 -0.01 -0.01 0.02 -0.00 0.02 0.02 0.02 0.01 0.02 0.02 0.01 -0.01 -0.00 0.03 -0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.02 0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 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 0.01 0.02 0.02 -0.13 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 -0.03 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.02 0.02 0.01 -0.00 -0.02 0.02 0.02 -0.06 0.02 0.06 -0.01 0.09 -0.00 0.04 -0.04 -0.00 -0.06 0.05 0.00 0.33 -0.14 0.49 0.58 0.17 0.08 0.41 -0.16 0.13 -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 0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.01 0.00 -0.03 -0.01 0.02 -0.01 0.00 0.00 0.08 -0.01 -0.05 0.00 -0.00 -0.00 -0.07 -0.06 0.05 -0.09 0.05 0.06 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.05 0.00 0.02 -0.03 -0.00 0.03 -0.00 0.03 0.03 0.01 0.03 0.03 -0.00 0.03 -0.01 -0.04 0.03 -0.02 0.02 0.05 -0.00 0.03 0.25 -0.05 -0.02 0.00 0.01 0.17 0.16 -0.31 0.06 0.27 -0.07 0.32 0.19 -0.08 0.15 -0.23 -0.37 0.13 -0.21 -0.09 0.44 -0.17 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 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -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 -0.00 0.01 0.00 -0.00 0.01 -0.01 -0.03 -0.00 0.02 -0.02 -0.01 -0.00 0.00 -0.01 0.00 -0.00 0.01 -0.02 -0.00 0.00 -0.00 -0.00 0.05 0.08 -0.05 -0.06 0.05 0.03 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.04 0.01 0.01 -0.07 -0.01 0.08 -0.04 0.06 0.06 0.00 0.02 0.11 0.02 -0.08 0.02 0.03 -0.04 0.07 -0.03 -0.07 0.05 0.01 0.08 -0.02 -0.01 0.00 0.01 -0.09 -0.25 0.37 -0.09 -0.33 0.11 -0.35 -0.30 0.01 0.11 -0.20 -0.30 0.13 -0.18 -0.08 0.35 -0.16 0.03 0.00 0.00 0.02 0.01 0.01 -0.00 -0.01 0.00 0.01 -0.01 0.01 0.02 0.00 0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 -0.03 -0.03 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.05 0.07 0.08 -0.06 -0.05 -0.07 0.03 0.01 0.03 0.02 -0.11 -0.10 0.02 0.02 0.02 -0.00 -0.00 -0.00 0.01 0.00 0.01 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.01 0.00 0.01 -0.01 0.01 0.01 0.00 0.01 0.02 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.00 0.01 0.06 0.07 0.00 0.01 -0.02 0.00 0.02 -0.01 0.02 0.02 -0.00 -0.01 0.01 0.02 -0.01 0.01 0.01 -0.02 0.01 -0.00 -0.01 0.02 0.04 -0.00 0.06 0.00 -0.19 0.12 0.18 -0.28 0.19 0.50 0.05 0.66 0.12 0.12 -0.03 0.06 0.01 -0.01 0.00 -0.04 0.02 -0.06 -0.07 -0.02 -0.01 -0.04 0.02 -0.01 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.02 0.07 0.01 0.02 -0.01 0.02 0.00 -0.02 0.04 -0.02 -0.10 -0.00 0.07 -0.07 -0.01 -0.00 0.00 -0.02 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.00 -0.01 -0.02 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 -0.01 -0.13 -0.00 -0.14 0.05 0.04 -0.25 -0.02 0.30 -0.18 0.23 0.22 0.00 0.07 0.41 0.08 -0.31 0.09 0.11 -0.17 0.31 -0.14 -0.25 0.23 -0.01 -0.04 0.01 -0.04 0.00 0.01 0.02 0.07 -0.10 0.02 0.08 -0.03 0.09 0.08 -0.00 -0.02 0.07 0.09 -0.03 0.05 0.03 -0.11 0.05 -0.01 0.01 -0.00 0.03 0.02 0.02 -0.00 0.01 -0.00 -0.00 0.01 -0.01 -0.02 -0.00 -0.02 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 0.01 0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.00 0.04 -0.04 -0.08 0.01 -0.09 0.06 0.01 0.00 -0.01 -0.01 -0.00 -0.01 -0.01 0.00 0.01 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 -0.03 0.00 -0.01 -0.02 -0.00 -0.30 0.03 0.25 -0.16 0.21 0.22 0.03 0.15 0.37 -0.09 0.35 -0.12 -0.21 0.23 -0.31 0.17 0.36 -0.21 -0.01 -0.05 0.01 -0.01 0.00 0.00 -0.02 -0.01 0.02 -0.00 -0.02 0.00 -0.03 -0.01 0.01 -0.01 0.03 0.03 -0.00 0.01 0.01 -0.04 0.02 -0.01 0.01 0.00 0.02 0.01 0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 -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 0.00 -0.00 0.01 -0.00 -0.01 -0.02 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.01 0.00 -0.03 0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.06 -0.05 0.01 -0.00 0.00 0.01 0.01 0.01 -0.01 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 0.04 -0.00 -0.02 -0.01 0.01 0.00 0.01 -0.03 0.02 -0.02 -0.01 0.01 0.02 -0.03 0.00 -0.01 0.00 -0.01 0.00 0.01 -0.00 0.00 0.02 -0.00 -0.01 0.00 0.11 -0.00 -0.04 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 -0.00 0.00 0.01 -0.01 -0.00 -0.01 0.00 0.01 -0.01 0.09 0.15 0.67 0.41 0.57 -0.01 -0.01 0.01 -0.00 0.05 0.00 -0.02 0.02 -0.04 0.02 -0.02 0.00 -0.01 0.01 -0.00 0.00 -0.00 0.01 -0.01 -0.01 0.00 0.01 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.03 0.13 0.02 -0.08 -0.16 0.01 0.16 -0.00 -0.04 -0.01 -0.04 0.02 0.02 -0.02 -0.02 0.03 0.00 -0.01 -0.08 0.01 0.01 -0.02 0.06 0.00 0.02 -0.00 -0.00 0.01 -0.02 -0.01 -0.00 -0.02 0.01 -0.00 0.01 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.23 0.32 -0.03 -0.48 -0.04 0.12 -0.11 0.10 -0.14 0.20 -0.08 -0.07 0.08 0.30 -0.12 0.06 -0.14 0.04 -0.18 0.06 0.12 0.02 0.12 0.22 -0.00 -0.10 -0.01 -0.11 0.01 0.04 -0.13 0.07 -0.02 -0.00 -0.09 0.04 -0.06 0.10 0.13 0.07 0.09 0.02 0.03 -0.09 -0.08 0.04 0.11 -0.13 0.01 -0.03 -0.08 -0.04 -0.06 0.00 0.02 -0.01 -0.02 -0.03 -0.00 0.01 -0.02 0.02 -0.03 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.02 -0.03 0.02 -0.00 0.01 -0.00 0.00 -0.02 0.02 -0.05 -0.00 0.00 -0.00 0.01 -0.00 0.01 -0.01 0.01 0.01 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.01 0.00 -0.01 -0.02 -0.01 -0.02 0.00 -0.33 -0.07 0.52 0.11 -0.13 -0.30 0.46 -0.08 0.48 0.03 -0.01 0.01 -0.03 0.02 -0.02 0.03 -0.08 0.05 0.06 -0.07 -0.12 -0.04 0.07 -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 0.01 -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 -0.03 -0.00 -0.04 0.02 0.00 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.03 0.00 0.01 0.00 -0.00 0.01 -0.01 0.01 -0.01 0.01 0.01 -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 0.01 -0.00 0.00 -0.00 -0.00 0.36 -0.04 -0.20 0.34 0.05 0.50 -0.32 0.08 0.28 -0.19 -0.11 0.12 -0.21 -0.04 -0.31 0.15 0.12 -0.16 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.00 0.01 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 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.01 0.01 -0.01 0.02 0.03 -0.04 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 -0.01 -0.00 -0.02 0.01 -0.00 -0.01 0.01 0.00 -0.00 0.01 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.04 -0.02 0.06 0.00 -0.02 -0.04 0.05 -0.01 0.05 -0.01 -0.00 0.00 -0.03 -0.03 0.04 -0.18 -0.32 -0.30 0.11 0.31 0.38 -0.28 -0.39 0.52 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.02 0.01 -0.04 0.01 -0.01 0.01 0.00 0.01 -0.04 -0.05 -0.01 -0.01 0.00 -0.00 0.01 0.00 0.01 0.00 0.02 0.01 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.03 -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 -0.01 -0.00 -0.01 -0.01 -0.01 -0.00 -0.03 0.55 -0.18 0.54 0.24 0.19 0.03 -0.21 0.01 0.12 -0.05 0.04 -0.04 0.02 -0.00 0.03 -0.29 0.02 0.17 -0.09 -0.17 -0.21 0.06 -0.04 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.01 -0.02 0.01 -0.01 0.01 0.00 0.01 -0.02 -0.02 -0.02 0.04 -0.01 0.01 -0.00 -0.01 -0.00 -0.02 -0.04 -0.03 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 -0.03 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.01 -0.00 0.00 -0.01 -0.01 0.01 0.02 0.00 0.01 -0.01 -0.01 -0.00 0.01 -0.01 0.00 -0.01 -0.02 -0.01 -0.02 -0.00 -0.08 0.28 0.02 0.31 0.09 0.03 0.11 -0.13 0.10 -0.08 0.03 -0.03 -0.03 0.00 -0.01 -0.05 0.54 -0.04 -0.32 0.19 0.35 0.42 -0.13 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 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.03 0.02 0.02 -0.03 -0.03 0.03 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 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 0.01 -0.00 0.02 -0.01 -0.01 -0.00 -0.02 -0.01 0.00 -0.01 0.00 0.00 0.00 -0.00 0.25 -0.24 0.13 0.04 0.25 -0.11 0.04 -0.30 -0.26 0.19 0.37 0.13 0.20 -0.33 -0.19 -0.02 0.37 -0.34 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.02 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 -0.01 -0.01 0.01 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.03 -0.03 -0.01 0.02 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 -0.01 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.03 -0.00 -0.00 0.01 0.01 -0.13 -0.07 0.26 0.50 0.10 0.07 0.10 0.35 -0.26 -0.39 0.01 -0.15 0.06 -0.10 0.20 0.01 -0.16 -0.37 -0.01 -0.02 0.00 0.00 0.00 -0.00 0.09 -0.04 -0.02 0.06 0.05 0.06 -0.04 -0.03 0.00 0.05 0.02 -0.04 0.06 0.03 0.11 -0.06 -0.05 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.03 0.01 0.02 -0.00 -0.01 0.01 -0.01 0.01 -0.00 -0.00 -0.01 0.01 0.05 -0.01 -0.01 0.00 -0.00 -0.02 -0.00 0.01 0.00 -0.00 0.00 -0.04 0.01 0.01 0.03 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 0.03 0.04 -0.00 -0.05 -0.00 0.01 -0.12 0.13 -0.12 -0.05 -0.11 -0.10 0.03 0.11 0.07 0.09 0.00 0.04 0.00 0.01 -0.04 -0.01 0.02 0.09 -0.04 -0.15 0.05 -0.01 0.00 0.00 0.39 -0.29 0.08 0.15 0.35 -0.03 -0.01 -0.33 -0.25 -0.10 -0.22 -0.08 -0.11 0.23 0.17 -0.03 -0.25 0.25 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.01 -0.00 -0.02 -0.00 0.00 -0.00 -0.01 -0.00 -0.02 -0.04 -0.01 -0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -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 -0.04 0.08 -0.10 -0.10 -0.07 -0.06 -0.00 -0.00 0.07 0.10 0.09 0.02 0.10 -0.03 -0.10 -0.03 -0.05 0.04 0.02 0.05 -0.00 0.00 0.00 -0.00 0.14 0.03 -0.13 0.17 -0.03 0.29 -0.19 0.08 0.20 0.38 0.27 -0.17 0.39 -0.05 0.42 -0.26 -0.06 0.15 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.03 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.02 -0.02 0.02 -0.02 0.01 0.02 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.06 0.00 -0.03 0.02 0.01 -0.30 0.28 -0.21 -0.05 -0.23 -0.23 0.08 0.29 0.13 0.06 0.32 -0.05 0.39 -0.18 -0.19 -0.10 -0.33 -0.14 0.01 0.03 -0.00 -0.00 0.00 0.00 -0.12 0.06 0.01 -0.07 -0.07 -0.05 0.05 0.06 0.01 -0.08 -0.03 0.06 -0.08 -0.03 -0.14 0.07 0.06 -0.09 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.03 -0.01 -0.01 0.00 0.01 0.00 -0.00 0.00 0.00 -0.02 -0.01 -0.01 -0.04 -0.01 -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 -0.01 -0.02 0.00 0.01 0.00 -0.00 0.03 -0.17 0.29 0.36 0.18 0.15 0.04 0.11 -0.24 0.50 0.21 0.15 0.19 0.01 -0.38 -0.08 -0.05 0.35 -0.01 -0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.00 -0.01 -0.01 -0.01 -0.01 0.00 -0.01 0.01 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.03 -0.10 -0.02 0.03 0.07 0.00 -0.06 0.01 0.01 -0.00 -0.01 0.03 0.00 0.01 -0.03 -0.01 -0.01 0.00 0.02 -0.00 0.00 0.01 -0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.06 -0.07 0.02 0.10 0.02 -0.03 -0.34 0.23 -0.04 0.20 -0.20 -0.22 0.10 0.42 0.01 0.12 -0.31 0.12 -0.33 0.20 0.05 0.06 0.33 0.24 0.01 0.04 0.00 0.01 -0.00 -0.01 -0.04 0.04 -0.02 -0.02 -0.05 0.01 -0.00 0.04 0.03 0.01 0.04 0.02 0.03 -0.04 -0.03 -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 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.05 -0.05 -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.04 -0.04 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.34 0.32 0.06 0.34 -0.25 -0.01 -0.12 0.10 0.02 0.02 -0.07 -0.04 0.10 -0.09 -0.01 -0.21 0.13 -0.02 0.04 -0.01 0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.06 0.08 0.11 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.02 -0.03 -0.01 -0.01 -0.02 -0.01 -0.15 0.28 0.15 0.23 -0.08 -0.16 0.13 -0.21 0.07 0.00 -0.07 -0.05 0.30 -0.04 0.15 0.07 -0.09 0.05 0.11 -0.03 -0.03 -0.15 0.05 -0.05 -0.01 -0.00 0.00 0.00 -0.01 0.08 0.04 -0.07 -0.03 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 0.01 -0.13 -0.00 0.01 -0.00 0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.12 -0.13 -0.04 -0.20 0.12 -0.02 -0.05 0.09 0.06 -0.01 0.02 0.01 0.35 -0.22 0.04 -0.31 0.21 -0.03 0.04 -0.02 0.01 0.01 0.00 -0.00 -0.03 0.00 0.03 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 -0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.01 -0.00 -0.07 -0.03 -0.03 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.02 0.02 0.01 0.04 -0.07 -0.03 -0.06 0.03 0.06 -0.03 0.08 -0.01 -0.44 0.07 -0.20 0.39 -0.01 0.21 0.09 -0.10 0.08 0.16 -0.02 -0.02 -0.16 0.05 -0.06 0.02 0.00 -0.04 -0.01 0.05 -0.43 -0.06 0.08 0.04 0.02 -0.01 0.02 0.01 -0.02 0.01 0.02 0.02 -0.08 -0.01 0.00 -0.01 -0.00 -0.00 0.01 -0.01 0.07 -0.01 -0.05 -0.08 0.69 0.01 -0.07 0.00 -0.02 0.01 0.03 0.00 0.01 -0.00 -0.00 0.01 0.00 -0.01 0.01 -0.00 0.01 -0.01 -0.01 -0.05 0.03 -0.00 0.10 -0.13 -0.06 0.00 0.00 0.00 0.15 -0.10 0.01 -0.13 0.09 -0.01 0.02 -0.01 0.01 -0.03 -0.02 0.02 0.19 -0.01 -0.14 -0.01 -0.00 -0.00 -0.01 0.00 -0.01 -0.01 0.01 0.06 -0.06 0.04 -0.03 -0.00 -0.00 -0.00 0.02 0.02 -0.08 -0.04 -0.07 0.04 0.09 -0.04 -0.01 -0.01 0.02 -0.01 -0.01 -0.03 0.01 0.01 0.02 0.01 -0.00 0.02 0.02 0.03 -0.02 -0.00 -0.02 0.02 -0.00 0.01 0.00 0.01 0.05 -0.04 -0.00 0.01 -0.01 -0.00 -0.02 -0.01 0.00 -0.01 0.01 -0.01 -0.20 0.03 -0.09 0.14 0.00 0.08 0.04 -0.04 0.03 0.06 -0.01 -0.01 -0.06 0.02 -0.02 0.00 0.00 -0.00 -0.00 0.00 -0.04 -0.01 0.01 0.01 0.01 -0.01 -0.01 0.02 0.08 -0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.03 -0.48 0.04 -0.01 -0.01 0.06 -0.10 0.51 -0.00 -0.00 0.00 0.00 -0.01 -0.05 0.01 0.03 -0.05 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.02 -0.01 0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.05 -0.00 0.03 -0.00 -0.01 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 -0.01 0.00 -0.01 0.01 0.01 -0.01 0.24 0.25 -0.19 0.01 -0.00 -0.00 0.02 -0.16 0.13 0.07 0.21 -0.08 -0.09 -0.19 -0.03 0.04 -0.17 -0.14 -0.17 0.19 0.09 0.16 -0.15 0.04 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 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 -0.01 0.00 -0.02 -0.00 0.02 -0.14 0.25 -0.35 -0.17 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.03 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 -0.03 0.23 -0.00 0.01 0.00 0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.04 -0.04 -0.01 0.09 -0.12 -0.04 -0.03 0.02 -0.00 -0.41 0.55 0.26 -0.01 0.02 0.01 -0.12 0.09 -0.00 0.11 -0.08 0.01 -0.02 0.00 -0.01 -0.01 -0.01 0.01 0.07 -0.00 -0.05 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.02 -0.02 0.01 -0.01 -0.00 0.00 -0.00 0.01 0.01 -0.03 0.00 -0.01 -0.00 -0.05 -0.02 0.01 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.01 0.00 -0.05 0.04 0.00 -0.11 0.07 0.01 0.02 -0.03 -0.02 -0.01 0.04 0.05 -0.01 0.06 0.02 0.20 -0.04 0.09 -0.06 -0.03 -0.05 -0.02 0.04 -0.01 -0.04 0.02 0.02 0.04 -0.02 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.04 -0.02 0.01 -0.02 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.22 -0.39 -0.39 -0.28 0.17 0.17 0.34 -0.30 0.41 -0.14 0.12 -0.16 -0.06 -0.08 0.05 0.08 0.15 0.16 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.05 -0.01 0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -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 -0.00 -0.49 -0.03 0.39 -0.05 0.52 -0.35 -0.01 -0.36 -0.27 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.02 0.01 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 0.01 0.01 -0.01 0.00 -0.00 -0.02 0.01 0.01 -0.00 0.00 -0.00 0.08 0.15 0.15 0.11 -0.07 -0.07 -0.13 0.12 -0.16 -0.37 0.31 -0.41 -0.16 -0.22 0.13 0.20 0.39 0.42 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.02 0.03 0.01 -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 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.23 -0.37 -0.17 -0.03 0.26 -0.22 0.52 -0.12 0.06 0.08 -0.07 -0.18 0.22 0.32 0.14 -0.39 0.11 -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 0.01 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.02 0.02 -0.01 0.04 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 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 -0.18 -0.29 -0.13 -0.02 0.20 -0.18 0.41 -0.10 0.05 -0.10 0.08 0.23 -0.28 -0.41 -0.18 0.49 -0.14 0.07 -0.01 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 -0.01 -0.01 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.01 -0.00 0.02 -0.01 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.03 -0.04 -0.02 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 0.00 0.00 -0.01 0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.01 0.01 0.01 0.01 -0.02 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 0.00 -0.00 -0.00 -0.00 0.29 0.04 0.17 -0.14 0.57 -0.37 -0.46 -0.09 0.41 -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.05 -0.01 -0.07 0.02 0.00 0.03 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.24 0.46 0.42 -0.00 -0.01 -0.02 0.35 -0.34 0.43 -0.14 0.13 -0.16 0.01 0.00 0.01 -0.08 -0.17 -0.17 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.04 -0.05 0.07 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.56 0.01 -0.43 -0.08 0.58 -0.38 -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 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.00 -0.03 -0.05 -0.01 -0.07 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -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 0.09 0.18 0.16 -0.00 -0.00 -0.00 0.14 -0.13 0.17 0.37 -0.34 0.40 -0.01 -0.00 -0.01 0.20 0.45 0.45 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 -0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -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 -0.06 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 0.53 0.62 -0.26 0.01 -0.04 0.50 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 -0.01 0.04 -0.03 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.03 -0.04 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 0.06 -0.45 0.38 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.04 0.05 -0.02 -0.00 0.00 -0.03 -0.02 -0.01 0.00 -0.12 0.43 -0.27 0.46 0.07 -0.39 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.05 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.02 -0.03 0.04 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.02 0.01 -0.00 0.00 -0.00 -0.00 -0.09 0.60 -0.51 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.07 -0.08 0.03 0.00 -0.00 0.04 0.00 -0.00 0.01 -0.10 0.34 -0.21 0.32 0.05 -0.27 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.03 0.01 0.01 -0.08 -0.03 -0.02 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.11 -0.18 -0.08 0.00 0.02 -0.02 -0.20 0.05 -0.02 -0.02 -0.01 -0.01 0.34 0.52 0.22 0.64 -0.21 0.08 0.00 -0.00 -0.00 -0.00 0.02 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.08 -0.03 -0.03 -0.03 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.32 0.56 0.25 -0.01 -0.06 0.04 0.62 -0.16 0.06 -0.00 -0.00 -0.01 0.11 0.17 0.07 0.21 -0.07 0.03 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.02 -0.08 -0.05 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 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.07 -0.06 -0.24 -0.03 0.19 -0.02 0.24 -0.18 0.03 0.71 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 -0.06 0.06 0.04 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -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 -0.05 0.02 0.03 0.00 -0.00 0.00 -0.12 -0.18 -0.18 0.70 -0.40 -0.43 0.14 -0.13 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 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.08 0.04 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 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 0.17 0.26 0.13 -0.07 0.67 -0.59 -0.26 0.05 -0.02 -0.00 0.00 0.01 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.06 0.02 0.04 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 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 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.02 -0.04 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 -0.01 0.07 0.80 -0.01 0.01 -0.03 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.06 -0.04 -0.13 -0.02 -0.03 -0.01 0.04 -0.01 0.01 0.03 -0.01 -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 -0.08 0.06 -0.08 0.29 0.37 -0.24 0.03 0.07 0.08 0.04 0.05 -0.02 -0.01 0.01 -0.12 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.02 0.03 -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 0.01 0.14 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.02 -0.00 -0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.08 0.07 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.01 0.02 0.03 -0.02 0.00 0.01 0.01 -0.30 -0.35 0.13 0.04 -0.05 0.85 -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 0.05 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.03 -0.06 0.03 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.05 -0.53 0.00 -0.01 0.02 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.05 0.04 0.13 0.02 0.03 0.01 -0.03 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 -0.11 0.08 -0.11 0.43 0.55 -0.36 0.06 0.11 0.13 -0.01 -0.02 0.01 0.00 -0.00 0.03 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 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 0.03 -0.04 -0.07 -0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 0.21 -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.34 0.25 0.81 0.13 0.17 0.07 -0.20 0.06 -0.04 0.09 -0.04 -0.06 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 -0.03 0.02 -0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.01 -0.07 0.03 0.04 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.07 0.00 -0.01 0.02 0.01 0.01 0.01 -0.01 0.06 -0.05 -0.01 0.00 -0.00 0.03 -0.03 -0.08 -0.02 -0.02 -0.01 0.02 -0.01 0.00 0.78 -0.31 -0.51 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.05 -0.03 -0.03 0.01 -0.00 0.01 -0.01 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.04 0.01 0.02 0.00 -0.01 0.01 0.01 0.00 -0.01 -0.01 -0.04 -0.03 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -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 0.03 -0.01 -0.05 -0.04 -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 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.06 -0.02 -0.04 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.53 -0.09 -0.32 -0.03 0.14 -0.08 -0.11 -0.02 0.11 0.09 0.56 0.47 -0.01 -0.06 -0.05 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -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 -0.03 -0.01 -0.04 -0.04 -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 -0.01 0.59 0.10 0.36 0.03 -0.14 0.09 0.11 0.02 -0.11 0.08 0.51 0.42 -0.01 -0.07 -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 -0.02 0.03 -0.08 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.05 0.24 -0.31 0.91 -0.00 -0.00 -0.00 0.00 -0.02 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 -0.01 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 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 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 -0.07 -0.05 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.02 0.10 0.08 0.10 0.76 0.62 -0.03 -0.00 0.02 -0.01 0.03 -0.02 0.01 0.06 0.05 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.99491 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 302.18819 0.99998 0.00542 0.00369 -0.00543 0.99998 8.0E-4 -0.00369 -8.2E-4 0.99999 asymmetric 1 0.02239 0.00572 0.00515 0.46652 0.11911 0.10740 1065725.0 16.28 26.14 39.72 45.76 70.74 87.98 119.28 134.40 152.22 163.95 173.31 183.86 208.18 222.90 228.40 248.53 282.75 288.25 296.76 333.75 349.70 388.17 421.98 427.43 450.23 481.67 504.68 515.51 551.86 573.41 604.55 630.80 678.39 689.57 743.14 775.49 823.34 825.04 851.08 907.73 944.57 1021.33 1051.45 1119.59 1134.19 1188.08 1194.47 1204.22 1230.42 1259.96 1332.98 1353.19 1371.16 1389.33 1403.61 1409.03 1427.85 1441.95 1445.98 1449.76 1474.86 1497.29 1511.56 1519.42 1534.30 1537.91 1559.40 1580.48 1583.43 1588.72 1628.86 1634.23 1667.40 1680.83 1710.47 1745.46 1747.25 1792.28 1830.89 1884.47 1901.24 1904.80 1945.82 1953.39 1961.36 1968.41 1983.27 2019.15 2025.60 2029.36 2030.26 2033.12 2044.13 2057.82 2082.68 2100.74 2103.11 2103.36 2113.79 2117.67 2117.83 2126.45 2129.00 2129.07 2130.15 2150.55 2160.65 2352.73 2448.23 2454.20 2457.78 2461.41 4319.31 4323.03 4329.27 4339.66 4345.89 4347.41 4381.51 4384.73 4386.43 4404.76 4410.21 4412.93 4416.57 4423.35 4440.55 4447.69 4459.91 4478.47 4479.37 4483.04 4494.13 4498.67 4498.74 4507.10 4572.26 4572.94 0.405913 0.430962 0.431906 0.347979 -965.249781 -965.224732 -965.223788 -965.307715 270.433 91.412 176.641 0.000 0.000 0.000 0.889 2.981 43.014 0.889 2.981 35.242 268.655 85.450 98.384 1 0.593 1.987 7.766 2 0.593 1.986 6.825 3 0.593 1.984 5.995 4 0.594 1.983 5.713 5 0.595 1.978 4.851 6 0.597 1.973 4.420 7 0.600 1.961 3.821 8 0.602 1.954 3.587 9 0.605 1.945 3.345 10 0.607 1.938 3.201 11 0.609 1.932 3.093 12 0.611 1.925 2.979 13 0.616 1.908 2.741 14 0.620 1.897 2.611 15 0.621 1.893 2.565 16 0.626 1.876 2.405 17 0.636 1.845 2.165 18 0.638 1.839 2.130 19 0.641 1.831 2.077 20 0.653 1.792 1.864 21 0.659 1.774 1.780 22 0.674 1.729 1.598 23 0.688 1.686 1.455 24 0.691 1.679 1.433 25 0.701 1.649 1.347 26 0.716 1.606 1.237 27 0.728 1.574 1.163 28 0.733 1.558 1.129 29 0.753 1.505 1.025 30 0.765 1.473 0.968 31 0.783 1.426 0.891 32 0.799 1.386 0.832 33 0.828 1.313 0.733 34 0.836 1.296 0.712 35 0.872 1.213 0.618 36 0.894 1.164 0.567 37 0.928 1.091 0.500 38 0.930 1.089 0.498 39 0.949 1.050 0.464 0.444662e+27 26.648030 61.359358 0.191693e+12 11.282607 25.979163 0.100000e+01 0.000000 0.000000 0.206476e+09 8.314870 19.145696 0.112345e+08 7.050553 16.234499 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 2.1480 -3.1944 -4.6700 6.0520 -129.1001 -130.1962 -140.9414 14.2913 6.1961 -0.9354 4.3124 3.2164 -7.5288 14.2913 6.1961 -0.9354 -2.3089 -14.3768 -8.9693 29.7491 -40.2048 -76.3979 -1.0908 -6.5431 -15.4784 19.2351 -10563.3952 -2325.7938 -1050.0357 11.2034 243.2503 91.3924 -15.1238 -0.5527 7.6153 -2219.0065 -2049.1355 -581.8187 -65.9359 52.5470 52.8805 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -965.6556941 2.44E-9 6.418E-6 0.4059132 0.4309622 -965.2247319 -965.2237877 -965.3077155 4.6434455,-0.208819,-4.4346265,-11.3306132,-1.0388747,-2.8580265 C01 [X(C19H26O3)] 0.743103 1.8071751 1.3606143 -2.8796224 -0.347331 0.3663045 -0.0140214 -0.3665421 -0.0980605 0.3311694 -0.045851 -0.7705113 -1.0727845 -0.1034181 -0.0529892 0.0155451 -0.4987874 -0.2409145 0.0739635 -0.1037533 -1.6698355 -1.0584313 -0.6152352 -0.0152028 -0.6608185 -1.8799898 -0.2755002 0.0180572 -0.2646118 -0.5947736 0.7273404 0.1708042 0.120896 -0.0990581 0.2415723 -0.0283171 -0.2230894 -0.034034 0.1857104 0.3213243 -0.0159083 0.0503911 0.2689815 0.1683393 -0.0142513 -0.1973381 -0.0900104 0.0451994 -1.4488085 -0.1820526 -0.4038841 -0.3477287 -0.1757648 -0.0511226 -0.1527494 0.0973123 -0.1695149 0.0481907 -0.0345767 -0.0634521 -0.0180462 0.0554994 0.0124196 0.0578729 0.0381192 -0.0040166 0.0434915 -0.0749995 -0.0474729 -0.0590341 0.0651985 -0.0096556 -0.0517362 -0.0633378 -0.0327028 -0.0610589 -0.1223806 0.2390803 0.0774471 -0.2713684 0.0191669 0.2793299 -0.1271186 -0.1276709 3.1495123 0.2517667 -0.0666604 0.1073218 0.2941268 0.3649151 -0.2388316 0.1502022 2.1007486 0.0965655 0.195264 0.2093517 0.0852486 0.4571359 -0.1968443 0.2076011 -0.1352081 0.0300414 1.5437313 0.3990121 0.0172063 -0.0530036 0.2960075 0.019003 0.5015175 0.0125688 0.3508385 0.0611402 -0.0211102 -0.0897571 0.0629578 -0.0006597 0.097801 -0.1164 0.0448622 0.0612724 -0.0189775 -0.054621 -0.1299001 -0.0864742 -0.0436395 0.0256369 -0.118954 0.039033 0.0710964 -0.5752261 -0.0673717 0.1710736 0.0256601 -0.1307519 -0.0587131 0.1392633 0.0302491 0.0423483 0.0134614 0.3423646 0.0374287 0.4734046 0.9296819 0.1260463 0.0187604 0.1659842 -0.075552 0.2735902 0.1153885 -0.1169363 -0.2191782 -1.1508982 -0.3197298 -0.2588739 -0.4951797 -0.0219426 1.1503934 0.4026011 -0.1702301 0.6670434 2.399621 0.5468743 -0.137078 0.6394812 0.543925 -0.0654793 -0.1908361 -0.0038703 -0.0859035 -0.2740147 -0.1129285 0.0403403 -0.1068577 0.0098552 -0.2757487 -0.1329846 -0.0259097 -0.2377746 -0.0205921 0.1740696 -0.0265495 0.1348101 -0.1710869 0.4063668 0.1924483 -0.2873751 0.1951596 0.1056052 0.0119023 -0.2852979 0.0072222 -0.097634 -0.1969968 -0.0779163 0.1430759 -0.161895 0.0613956 0.0593326 0.1179269 0.0232891 0.0747751 0.0396211 0.0950028 -0.0785099 0.061512 -0.0405889 -0.0217315 -0.0015186 0.0019753 -0.0696521 -0.0013284 -0.0297942 0.0071439 0.0127144 0.1325473 0.0327112 0.0317302 0.0010699 -0.0542376 0.0059669 0.1448297 0.0155268 0.0835206 -0.1585262 -0.0539049 -0.0272788 -0.0435994 0.0761772 0.0869057 -0.0336891 0.0037344 -0.0157541 0.0061137 0.1168008 -0.0258609 0.0929432 -0.1252499 -0.1964077 -0.1257239 0.0112006 -0.0939598 0.034699 -0.0290123 0.0188218 -0.0371712 0.0461415 0.1052891 -0.0044114 -0.0740613 -0.0279005 0.0238615 -0.0929739 -0.0583459 -0.0481972 -0.0601969 0.0049566 0.1713271 0.0020146 0.1130611 -0.1493997 0.0408439 0.0509692 0.0121111 0.0411318 -0.1720868 -0.1139124 0.0831613 -0.087227 0.0259863 0.055322 0.0615254 0.0804573 0.0624169 -0.0645426 -0.0811633 -0.1391375 -0.0765825 0.0068861 0.0117371 -0.1769398 0.0376215 0.0774465 -0.1433373 -0.1384192 0.06097 -0.0089782 -0.0008783 0.0647966 -0.0754926 0.0694283 0.0017577 0.0219843 0.1552782 -0.0320079 0.1192626 -0.1344733 -0.0380388 0.0248535 -0.0707755 0.0116706 -0.0775671 -0.0714304 -0.1015577 -0.1417926 -0.0233789 -0.0586573 -0.077767 -0.0041632 0.0404999 -0.0164112 -0.0200601 0.1078754 -0.0103156 0.0403645 0.0847435 0.0435674 0.1605377 -0.1132561 0.004483 -0.1393107 0.0887964 -0.0521459 0.0345283 0.0433342 0.1134635 0.0708337 -0.0683468 -0.0311514 0.0259133 -0.0953864 0.0673162 0.0437285 0.0759637 -0.1228297 0.0507875 -0.0185205 0.0313019 0.0501445 0.0572807 0.0480729 -0.1294532 -0.0804909 0.0155151 -0.149201 0.0672631 0.0354293 0.057462 -0.027477 0.0338351 0.0451933 0.0266522 -0.0451827 0.0487501 0.0610513 0.0892317 -0.0111103 0.0080936 -0.0438711 0.0689332 -0.0299845 0.0250989 -0.0763261 -0.0532234 -0.0602789 0.0871625 0.099902 0.0131866 0.0278421 -0.0315083 0.0901716 -0.0480952 0.0584796 0.1436824 0.0313103 0.0509499 -0.0923723 -0.0701483 0.0646031 0.0376135 0.090602 -0.0307126 0.0305346 0.0269664 -0.0947407 -0.0589887 0.0062821 0.002347 -0.1409746 -0.0792899 0.0470984 0.0377461 0.0195431 0.0803445 0.0552206 -0.0700609 -0.1031684 0.0813801 -0.0922845 0.11027 0.0964842 0.0089078 0.05207 0.0006755 0.0020549 -0.0536603 0.0444691 -0.0633161 0.1513085 -0.177396 -0.0784771 -0.0346619 0.0355431 0.1272281 -0.0729517 -0.0689521 -0.0225855 -0.010034 -0.0017035 -0.0205095 0.0418767 0.0522009 0.0238684 0.1064234 0.1420235 0.151898 -0.0799332 0.0266201 -0.0347435 0.0254318 0.0779334 -0.1343844 -0.1113257 0.0610356 -0.0511818 0.0500804 380.2503807|51.9126777|352.6029917|-18.4543436|-9.6210796|265.4003516 -0.000005363 0.000016656 0.000002626 -0.000000786 0.000003831 0.000029865 0.000004689 -0.000000502 0.000005500 0.000010668 -0.000000663 0.000008858 0.000007441 0.000004699 -0.000007101 -0.000013453 -0.000005652 -0.000002199 -0.000004633 -0.000006610 -0.000009980 -0.000009503 -0.000004826 0.000002411 -0.000007849 0.000004620 0.000002427 0.000019375 -0.000006604 -0.000032609 0.000002204 -0.000002388 0.000004863 -0.000002346 -0.000011373 0.000014449 -0.000003643 -0.000000215 -0.000001349 0.000001108 -0.000000946 0.000002442 -0.000008090 -0.000002841 -0.000011396 0.000009674 0.000006585 -0.000008255 0.000003377 -0.000023176 -0.000003444 -0.000007848 0.000019594 -0.000007623 -0.000000406 -0.000002681 -0.000000589 -0.000001084 0.000001665 0.000002873 -0.000002038 0.000001277 -0.000000667 0.000002351 -0.000000714 -0.000002286 -0.000000973 0.000002420 -0.000001666 0.000002442 -0.000001045 -0.000000004 0.000003473 0.000000670 0.000000071 -0.000000069 0.000003290 -0.000001191 -0.000000638 -0.000000186 0.000002162 0.000004617 0.000000879 -0.000000101 0.000000961 -0.000002596 -0.000002235 -0.000001405 0.000001982 -0.000001222 0.000001483 -0.000000811 -0.000002072 -0.000006132 0.000002091 -0.000000438 -0.000000866 0.000002888 0.000002557 -0.000000875 -0.000000420 0.000000076 0.000001930 0.000002302 -0.000000133 0.000001499 0.000000602 -0.000002259 0.000001450 -0.000003454 0.000001829 -0.000001704 0.000002190 0.000000563 -0.000000329 0.000001610 0.000006106 0.000003441 -0.000002952 0.000005458 0.000002500 0.000000745 -0.000002273 -0.000001008 -0.000000723 0.000002115 -0.000002835 0.000000281 -0.000001448 0.000000960 -0.000002623 0.000001591 -0.000000585 0.000001274 0.000002265 0.000000684 0.000001414 0.000002584 -0.000001249 0.000002126 -0.000001529 -0.000000616 -0.000001690 0.000000376 276.20149999999984 AuxInfo=1/0/N:4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;2;3;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/rA:48nO0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.1401,.6821,-.206;1.1008,.3806,-2.066;-3.5952,-2.3571,-.8194;3.3314,1.802,-.3145;3.5556,.3216,-.3468;2.1684,.8549,.0375;3.8723,2.6081,.8517;3.3099,2.5707,-1.6209;4.3851,-.4053,.657;1.0375,.6186,-.8732;4.1857,-1.6742,1.0411;-1.35,.433,-.975;5.0924,-2.3509,2.0347;3.0549,-2.5254,.5268;-1.5973,-1.0486,-1.2419;-2.5175,.8913,-.1373;-3.4574,-.0812,.0096;-2.9871,-1.3047,-.6865;-2.5256,2.2845,.3837;-4.7245,.0556,.7193;-5.6444,-.9031,.9123;-6.9253,-.6939,1.6561;3.5599,-.1014,-1.3487;1.9065,.8187,1.0873;3.2931,3.5284,.9767;3.8354,2.0552,1.7927;4.9141,2.8907,.6655;2.9391,1.969,-2.4506;2.6805,3.4628,-1.5354;4.3251,2.9003,-1.8662;5.2246,.141,1.0814;-1.2879,1.0163,-1.8972;5.5521,-3.2443,1.5948;5.8909,-1.6899,2.3805;4.524,-2.6918,2.9088;2.4374,-2.8822,1.3601;2.4072,-2,-.1762;3.4475,-3.4192,.0269;-.8776,-1.6699,-.7016;-1.5503,-1.3203,-2.2975;-3.4622,2.5534,.8709;-2.3375,2.9904,-.4333;-1.7097,2.4171,1.1028;-4.9248,1.0418,1.1323;-5.4717,-1.8978,.516;-7.7866,-.917,1.0148;-6.9932,-1.3776,2.5109;-7.0256,.3307,2.0248; Gaussian 16 27-Jan-2025 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(C19H26O3)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 276.20149999999984 AuxInfo=1/0/N:4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;2;3;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/rA:48nO0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.1401,.6821,-.206;1.1008,.3806,-2.066;-3.5952,-2.3571,-.8194;3.3314,1.802,-.3145;3.5556,.3216,-.3468;2.1684,.8549,.0375;3.8723,2.6081,.8517;3.3099,2.5707,-1.6209;4.3851,-.4053,.657;1.0375,.6186,-.8732;4.1857,-1.6742,1.0411;-1.35,.433,-.975;5.0924,-2.3509,2.0347;3.0549,-2.5254,.5268;-1.5973,-1.0486,-1.2419;-2.5175,.8913,-.1373;-3.4574,-.0812,.0096;-2.9871,-1.3047,-.6865;-2.5256,2.2845,.3837;-4.7245,.0556,.7193;-5.6444,-.9031,.9123;-6.9253,-.6939,1.6561;3.5599,-.1014,-1.3487;1.9065,.8187,1.0873;3.2931,3.5284,.9767;3.8354,2.0552,1.7927;4.9141,2.8907,.6655;2.9391,1.969,-2.4506;2.6805,3.4628,-1.5354;4.3251,2.9003,-1.8662;5.2246,.141,1.0814;-1.2879,1.0163,-1.8972;5.5521,-3.2443,1.5948;5.8909,-1.6899,2.3805;4.524,-2.6918,2.9088;2.4374,-2.8822,1.3601;2.4072,-2,-.1762;3.4475,-3.4192,.0269;-.8776,-1.6699,-.7016;-1.5503,-1.3203,-2.2975;-3.4622,2.5535,.8709;-2.3375,2.9904,-.4333;-1.7097,2.4171,1.1028;-4.9248,1.0418,1.1323;-5.4717,-1.8978,.516;-7.7866,-.917,1.0148;-6.9932,-1.3776,2.5109;-7.0256,.3307,2.0248; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octa 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=1,70=32201,72=25,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6,53=25/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction Allethrin_RR CONF43 octanol Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 16 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5.6000000 5.6000000 5.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 662 A 640 A 640 1000 662 82 82 1769.8331893354 48 48 48 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0474291249 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 2.256217 0.000000 4.642269 5.576863 0.000000 3.649236 3.172324 8.095073 0.000000 3.715853 2.997472 7.650591 1.497710 0.000000 2.327693 2.406172 6.653552 1.540639 1.535067 0.000000 4.574649 4.599599 9.121904 1.517405 2.601027 2.576838 0.000000 4.179862 3.142432 8.520909 1.515910 2.596600 2.645302 2.536053 0.000000 4.733287 4.338045 8.347079 2.631781 1.491310 2.623992 3.062916 3.898873 0.000000 1.354966 1.218016 5.506313 2.640896 2.589539 1.471077 3.869038 3.087660 3.820422 0.000000 5.081249 4.836540 8.029271 3.827707 2.511202 3.387104 4.297930 5.086447 1.340665 4.339540 0.000000 1.455122 2.683217 3.584648 4.921960 4.946881 3.685422 5.944783 5.167371 6.021399 2.396905 6.256867 0.000000 6.449706 6.341131 9.144395 5.085983 3.895618 4.776577 5.242180 6.384626 2.486781 5.806519 1.505844 7.636319 0.000000 4.586160 4.357260 6.787085 4.417081 3.019734 3.528649 5.208317 5.536030 2.506207 3.989251 1.505845 5.514611 2.540785 0.000000 2.488380 3.162554 2.425299 5.768714 5.406525 4.409160 6.904460 6.109340 6.309391 3.139727 6.248661 1.525671 7.562020 5.191551 0.000000 2.387576 4.131951 3.489768 5.921982 6.103302 4.689267 6.689907 6.243407 7.068027 3.640606 7.273377 1.508236 8.552161 6.570092 2.414558 0.000000 3.410819 5.029812 2.426051 7.052576 7.033535 5.703184 7.852757 7.449014 7.875781 4.633936 7.875097 2.382241 9.074728 6.975043 2.441739 1.360437 0.000000 3.504837 4.631901 1.222653 7.050763 6.750295 5.636231 8.045353 7.452815 7.547367 4.464480 7.387103 2.404804 8.589385 6.282358 1.518415 2.311831 1.484146 0.000000 2.933559 4.772472 4.912767 5.918087 6.431691 4.919007 6.423103 6.176811 7.420649 4.129219 7.819418 2.579876 9.068944 7.368630 3.822770 1.487423 2.569964 3.773656 0.000000 4.718676 6.465175 3.076334 8.307606 8.352679 6.972514 8.968742 8.738120 9.121454 6.004523 9.082231 3.794810 10.192801 8.198669 3.852929 2.510619 1.458760 2.616354 3.148978 0.000000 5.836159 7.484392 3.051556 9.454454 9.366106 8.055736 10.143925 9.932966 10.045027 7.081760 9.861060 4.877381 10.891909 8.857655 4.586998 3.754853 2.504634 3.127073 4.490771 1.342544 0.000000 7.169383 8.912213 4.470338 10.738353 10.718740 9.365555 11.319822 11.231920 11.358081 8.457338 11.171068 6.267109 12.137291 10.209538 6.075507 5.015764 3.887495 4.622804 5.463275 2.506530 1.495919 0.000000 3.950868 2.606473 7.520837 2.178292 1.087537 2.184603 3.504476 2.697561 2.190032 2.665843 2.928523 4.952995 4.342445 3.106137 5.244523 6.275921 7.147542 6.689488 6.762104 8.540060 9.511732 10.923319 0.000000 2.424780 3.283979 6.632410 2.227669 2.241302 1.082559 2.668751 3.517643 2.797618 2.153729 3.378030 3.873817 4.592818 3.579900 4.603070 4.590871 5.544532 5.621562 4.720850 6.684883 7.746613 8.978380 3.084583 0.000000 4.613763 4.896236 9.236514 2.156200 3.479199 3.048749 1.094575 2.768585 4.094970 4.120284 5.279024 5.911755 6.238913 6.075180 7.056015 6.477495 7.715786 8.097285 5.979586 8.741211 9.975989 11.077211 4.319115 3.045957 0.000000 4.656639 5.017145 9.027968 2.181378 2.767895 2.701869 1.092044 3.492066 2.765071 4.122930 3.820408 6.097526 4.588263 4.815895 6.953867 6.740796 7.805626 7.998837 6.519167 8.855656 9.969560 11.107133 3.820378 2.397346 1.769337 0.000000 5.584045 5.319997 10.106979 2.156482 3.077438 3.475269 1.095370 2.811249 3.338123 4.749453 4.637819 6.926024 5.420425 5.727921 7.845635 7.737564 8.907493 9.047512 7.469604 10.047052 11.222045 12.409723 3.852714 3.676538 1.769557 1.769828 0.000000 4.021901 2.459726 8.004543 2.178220 2.742275 2.833051 3.490659 1.089925 4.169566 2.815653 5.197929 4.788837 6.589158 5.392389 5.580864 6.023875 7.153406 6.996368 6.164002 8.511202 9.655780 11.011916 2.426155 3.860894 3.781990 4.337774 3.802603 0.000000 4.177907 3.503833 8.588777 2.161575 3.470731 3.088302 2.801659 1.095157 4.761748 3.350716 5.940725 5.073270 7.236210 6.344368 6.224003 5.965386 7.253981 7.454589 5.672189 8.457330 9.713646 10.942304 3.675853 3.803832 2.586543 3.793613 3.187504 1.770835 0.000000 5.254955 4.096932 9.563826 2.145123 3.090440 3.529810 2.770867 1.095171 4.158989 4.123169 5.421967 6.252077 6.586501 6.064485 7.145535 7.337996 8.542563 8.517169 7.236895 9.832246 11.026169 12.324625 3.140671 4.348163 3.088991 3.787060 2.599316 1.769120 1.769373 0.000000 5.543444 5.193194 9.361729 2.879564 2.204125 3.307510 2.822787 4.107551 1.087826 4.645418 2.091868 6.894888 2.671344 3.482053 7.304192 7.873224 8.750685 8.523344 8.071298 9.956064 10.920296 12.192091 2.955637 3.386619 3.900821 2.469747 2.798211 4.586979 4.935044 4.136615 0.000000 2.071040 2.477644 4.226625 4.945700 5.132774 3.964228 6.059546 4.861348 6.381777 2.571847 6.769889 1.092852 8.216192 6.105637 2.188334 2.150474 3.089814 3.120868 2.888290 4.424814 5.527721 6.879697 5.005094 4.376076 5.962835 6.398628 6.967425 4.368255 4.675931 5.920849 7.214611 0.000000 7.145654 6.808456 9.502023 5.834599 4.524523 5.538754 6.133922 7.013012 3.209602 6.433811 2.153861 8.231996 1.096849 2.809517 7.998857 9.231538 9.679276 9.048987 9.863200 10.828893 11.458975 12.735556 4.744569 5.482334 7.166275 5.574101 6.237671 7.097301 7.939119 7.158248 3.439653 8.782468 0.000000 6.977711 6.855872 10.033434 5.099760 4.115565 5.081540 4.988452 6.389459 2.624531 6.282531 2.168445 8.258116 1.092770 3.489551 8.343001 9.148868 9.777432 9.400693 9.519387 10.885433 11.654874 12.875204 4.675904 4.882679 5.995836 4.312269 4.987663 6.740937 7.224343 6.446426 2.341729 8.783870 1.774396 0.000000 6.545119 6.775414 8.940489 5.657435 4.540610 5.135351 5.722384 7.048836 3.212177 6.116954 2.153698 7.704044 1.096887 2.803510 7.576165 8.467545 8.883816 8.441940 8.990864 9.893284 10.515744 11.689629 5.076022 4.742642 6.628712 4.924794 6.028990 7.277238 7.812078 7.356099 3.443100 8.403860 1.757514 1.775183 0.000000 4.669064 4.916324 6.435699 5.054226 3.798371 3.973291 5.697441 6.275465 3.228425 4.382047 2.148809 5.548681 2.790375 1.096804 5.139176 6.405630 6.664648 6.008511 7.230402 7.767529 8.332621 9.619615 4.041056 3.748670 6.478829 5.149636 6.319969 6.189272 6.978649 6.885465 4.121363 6.299634 3.144439 3.793307 2.605467 0.000000 3.699079 3.308363 6.047318 3.915169 2.595643 2.872797 4.943467 4.877846 2.673805 3.036229 2.179606 4.546911 3.495922 1.090743 4.251702 5.710823 6.173292 5.462818 6.557603 7.475890 8.198533 9.599951 2.511585 3.129208 5.716419 4.728672 5.559782 4.605319 5.635971 5.526984 3.755409 5.070840 3.817715 4.332290 3.804768 1.771791 0.000000 5.453959 4.932117 7.172422 5.233693 3.760950 4.461399 6.098342 6.213985 3.218689 4.787675 2.149075 6.233748 2.806816 1.096773 5.716598 7.361254 7.669383 6.810570 8.266583 8.907033 9.475042 10.847870 3.593457 4.632359 7.013983 5.765165 6.509472 5.952303 7.098694 6.655143 4.116475 6.767535 2.630231 3.807905 3.161146 1.756657 1.771337 0.000000 2.514216 3.159146 2.805609 5.469847 4.872827 4.024750 6.578406 6.030162 5.580371 2.988999 5.354748 2.172573 6.602417 4.207790 1.093547 3.093065 3.112046 2.140921 4.419297 4.449144 5.090648 6.563988 4.750780 4.140507 6.872653 6.504563 7.497373 5.555867 6.300722 7.022171 6.610221 2.968661 7.006654 7.437189 6.576940 4.087722 3.342903 4.722001 0.000000 3.220698 3.158372 2.727815 6.124723 5.707086 4.900272 7.399669 6.262585 6.692909 3.533418 6.646227 2.205296 7.997223 5.535047 1.091001 3.239300 3.239613 2.158663 4.597201 4.590169 5.219011 6.701761 5.338529 5.289743 7.595346 7.558391 8.264376 5.567605 6.431068 7.247097 7.710504 2.385127 8.324396 8.797234 8.116836 5.631961 4.541346 5.897978 1.766798 0.000000 3.962087 5.845357 5.195004 6.937025 7.464125 5.939958 7.334709 7.216016 8.389233 5.199340 8.740215 3.516390 9.929153 8.269563 4.573481 2.161432 2.771894 4.187687 1.089517 2.802836 4.087958 4.811949 7.828443 5.646125 6.826068 7.372426 8.385568 7.235356 6.659519 8.261596 9.017993 3.840910 10.742237 10.380956 9.769592 8.036844 7.502011 9.172169 5.195117 5.357261 0.000000 3.195101 4.615103 5.506886 5.793349 6.469841 5.008546 6.352917 5.786217 7.610040 4.148502 8.153770 2.794399 9.477585 7.773285 4.185119 2.127488 3.299247 4.351297 1.095966 3.954648 5.282514 6.243949 6.721359 5.004025 5.829360 6.628345 7.335074 5.740682 5.159263 6.815573 8.221870 2.672380 10.258220 9.875681 9.515128 7.778399 6.890760 8.646459 4.890925 4.762042 1.776727 0.000000 2.680842 4.699800 5.481143 5.272504 5.849411 4.314486 5.590871 5.713023 6.731302 3.832296 7.176163 2.895415 8.358857 6.889218 4.185893 2.125705 3.239020 4.322675 1.095655 3.848805 5.151886 6.098129 6.334136 3.953692 5.126237 5.599520 6.655042 5.868448 5.227510 6.742936 7.298284 3.337688 9.221017 8.733145 8.259611 6.734023 6.172148 7.862349 4.544402 5.055301 1.773048 1.755751 0.000000 4.981425 6.853878 4.138796 8.416440 8.638524 7.179663 8.939898 8.816422 9.433689 6.304860 9.507165 4.194175 10.614600 8.761747 4.591238 2.725815 2.162205 3.545310 2.803804 1.087836 2.085374 2.699767 8.913651 6.835097 8.587294 8.843343 10.022010 8.691303 8.415375 9.899841 10.189454 4.733471 11.329223 11.224951 10.313888 8.345812 8.045116 9.550840 5.205444 5.360116 2.119623 3.597549 3.497098 0.000000 5.966865 7.419981 2.348506 9.585019 9.336030 8.134934 10.379133 10.082205 9.970123 7.115628 9.674201 4.964306 10.682297 8.549688 4.338462 4.115005 2.759319 2.823295 5.117494 2.101272 1.084596 2.205054 9.395396 7.883069 10.318795 10.192044 11.437488 9.720830 9.970049 11.165759 10.903529 5.640846 11.158004 11.516395 10.308712 8.014710 7.909915 9.061209 4.758174 4.860689 4.896726 5.883750 5.754635 3.052920 0.000000 7.906806 9.495402 4.796515 11.522608 11.490596 10.158609 12.181292 11.926645 12.187719 9.153618 11.996253 6.871129 12.998678 10.971086 6.589243 5.688704 4.522327 5.106910 6.190858 3.226422 2.144776 1.096768 11.618736 9.847536 11.938309 12.021249 13.263808 11.635279 11.629540 13.021769 13.054345 7.379061 13.552683 13.767231 12.581292 10.416947 10.320184 11.551740 7.158761 7.072894 5.546675 6.859831 6.932068 3.469952 2.563175 0.000000 7.654364 9.463253 4.857689 11.166451 11.060293 9.748645 11.691769 11.781988 11.569232 8.940331 11.278965 6.875748 12.134036 10.306252 6.580862 5.673883 4.520953 5.126190 6.155945 3.226582 2.144791 1.096760 11.308971 9.276520 11.499123 11.382334 12.783058 11.595991 11.549088 12.867151 12.394493 7.596844 12.716465 12.888484 11.598740 9.618976 9.796715 10.924564 6.914211 7.262863 5.532698 7.030138 6.655674 3.468725 2.562321 1.755046 0.000000 7.246366 9.098110 5.203942 10.719289 10.843656 9.420862 11.194906 11.186190 11.515856 8.572901 11.431479 6.420381 12.411109 10.583826 6.483811 5.031070 4.118547 5.131753 5.173056 2.659846 2.160458 1.093511 11.118398 8.994327 10.853478 10.999448 12.286419 11.045701 10.802385 12.271114 12.287878 6.983708 13.082947 13.078348 11.971187 10.015617 9.962614 11.302121 7.016612 7.168419 4.355419 5.923990 5.784615 2.390633 3.107617 1.776517 1.776418 0.000000 C19H26O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 276.20149999999984 AuxInfo=1/0/N:4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;2;3;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/rA:48nO0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.1325,-.7059,.0009;1.1022,-.907,1.8786;-3.7686,1.7782,1.4704;3.4039,-1.5844,-.1968;3.5338,-.1729,.2869;2.1801,-.6503,-.2573;3.9852,-1.9615,-1.5467;3.4422,-2.7139,.8135;4.307,.8757,-.4387;1.0442,-.7742,.6692;4.0241,2.1861,-.4207;-1.3494,-.7795,.7954;4.8777,3.1889,-1.1511;2.8459,2.7673,.3152;-1.6881,.532,1.4976;-2.4923,-1.0337,-.1552;-3.4933,-.1239,-.0101;-3.096,.8568,1.0306;-2.4162,-2.1999,-1.0754;-4.7551,-.118,-.7421;-5.7356,.794,-.6448;-7.0068,.7406,-1.4315;3.5195,-.0755,1.37;1.9077,-.313,-1.2492;3.4646,-2.8348,-1.9523;3.9053,-1.1519,-2.2752;5.0443,-2.221,-1.4434;3.0408,-2.4179,1.7826;2.87,-3.5755,.4535;4.4783,-3.0378,.9585;5.176,.5386,-.9996;-1.2427,-1.6105,1.4971;5.2834,3.9332,-.4549;5.7136,2.7162,-1.6724;4.2815,3.7431,-1.8864;2.2001,3.3211,-.3771;2.2388,2.0132,.8175;3.185,3.4896,1.0677;-1.0139,1.3323,1.1801;-1.6497,.472,2.5862;-3.3379,-2.3664,-1.632;-2.1769,-3.1076,-.5098;-1.5996,-2.0557,-1.7915;-4.8958,-.9423,-1.4379;-5.6232,1.6297,.0373;-7.8752,.7032,-.7627;-7.1251,1.6464,-2.0386;-7.0448,-.1273,-2.0956; 0.4665240 0.1191082 0.1074024 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= 640 RedAO= T EigKep= 1.14D-06 NBF= 640 NBsUse= 638 1.00D-06 EigRej= 6.95D-07 NBFU= 638 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= 653 652 652 653 653 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -965.655694086496 -965.655694086 1 9.613282187773e+02 -5.787220377436e+03 2.090450389305e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323731410 LenY= 11323292504 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. PT398.200S 2025-01-27T15:16:40.000 -19.17335 -19.11874 -19.11730 -10.30892 -10.26696 -10.24309 -10.20798 -10.19804 -10.19098 -10.18585 -10.18309 -10.17710 -10.17682 -10.17564 -10.17302 -10.17046 -10.16069 -10.15981 -10.15821 -10.15688 -10.15632 -10.15502 -1.11312 -1.04992 -1.02692 -0.88460 -0.87146 -0.80699 -0.80179 -0.76248 -0.74726 -0.73259 -0.70830 -0.69027 -0.68776 -0.67932 -0.67179 -0.63106 -0.58416 -0.57394 -0.55520 -0.55215 -0.52554 -0.52368 -0.50290 -0.49432 -0.48507 -0.46982 -0.46118 -0.45913 -0.45169 -0.44499 -0.43525 -0.42888 -0.42679 -0.42249 -0.41878 -0.40987 -0.40844 -0.40277 -0.39789 -0.39722 -0.39453 -0.38438 -0.38020 -0.37797 -0.37548 -0.36717 -0.36606 -0.36293 -0.35733 -0.35149 -0.34630 -0.33339 -0.31914 -0.31503 -0.30162 -0.29044 -0.28147 -0.25922 -0.23468 -0.23395 -0.06272 -0.01889 -0.01518 0.00413 0.01259 0.01381 0.01747 0.02142 0.02577 0.03084 0.03582 0.04047 0.04356 0.04548 0.04828 0.05180 0.05580 0.05635 0.06100 0.06126 0.06544 0.06844 0.07155 0.07267 0.07594 0.08006 0.08149 0.08821 0.08992 0.09126 0.09355 0.09828 0.10127 0.10494 0.10604 0.11038 0.11099 0.11489 0.12170 0.12334 0.12893 0.13041 0.13532 0.13642 0.13926 0.14161 0.14596 0.14885 0.15022 0.15319 0.15800 0.16195 0.16438 0.16761 0.16936 0.17263 0.17370 0.17804 0.18086 0.18579 0.18925 0.19063 0.19268 0.19651 0.19786 0.19967 0.20286 0.20586 0.20648 0.21119 0.21320 0.21507 0.21665 0.22035 0.22260 0.22543 0.22729 0.23027 0.23075 0.23418 0.23607 0.23838 0.24092 0.24355 0.24673 0.25090 0.25205 0.25605 0.25800 0.26120 0.26411 0.26929 0.27034 0.27068 0.27160 0.27438 0.27881 0.28378 0.28574 0.28934 0.28943 0.29680 0.29809 0.30190 0.30486 0.30753 0.30855 0.31280 0.31440 0.31827 0.32178 0.32562 0.32966 0.33101 0.33339 0.34497 0.34624 0.35031 0.36451 0.36661 0.37061 0.37731 0.38121 0.38454 0.38978 0.39188 0.39548 0.40137 0.40886 0.41280 0.41846 0.42206 0.42844 0.43252 0.43703 0.44660 0.45346 0.45960 0.46105 0.46734 0.46796 0.47404 0.48396 0.48506 0.49316 0.50250 0.51682 0.52035 0.52689 0.52826 0.54007 0.54514 0.54707 0.55213 0.55706 0.56758 0.57046 0.57854 0.58323 0.58587 0.58861 0.59662 0.59692 0.60116 0.60879 0.61701 0.61945 0.62158 0.62380 0.62673 0.63543 0.63761 0.64393 0.64859 0.65078 0.65404 0.65738 0.66207 0.66430 0.66818 0.67068 0.67682 0.67820 0.67978 0.68667 0.69210 0.69912 0.70352 0.70543 0.71016 0.71468 0.71655 0.71757 0.72438 0.72494 0.73584 0.73681 0.74339 0.74471 0.74977 0.75378 0.75731 0.76264 0.76791 0.77119 0.77873 0.78622 0.79611 0.80224 0.80865 0.81463 0.81720 0.82322 0.83226 0.85815 0.86335 0.87074 0.88047 0.88373 0.90206 0.90571 0.91708 0.91822 0.93605 0.93897 0.94040 0.95301 0.96295 0.97177 0.97907 0.98602 0.99407 1.00499 1.00921 1.02984 1.03828 1.04768 1.05285 1.07805 1.08626 1.09197 1.09883 1.11105 1.11433 1.12779 1.12955 1.13810 1.14982 1.16676 1.18155 1.19394 1.20691 1.21583 1.22588 1.23410 1.25530 1.26861 1.27374 1.28595 1.30898 1.32387 1.33029 1.34030 1.34375 1.35384 1.35980 1.37857 1.38502 1.39641 1.40680 1.41513 1.41970 1.42965 1.44091 1.44614 1.44901 1.45431 1.46362 1.47081 1.47304 1.47775 1.48305 1.48757 1.49114 1.49281 1.50760 1.50919 1.51637 1.51962 1.53194 1.53521 1.54917 1.55196 1.56716 1.57003 1.57402 1.57598 1.57898 1.58331 1.58656 1.59874 1.60276 1.61565 1.62573 1.62967 1.63935 1.64247 1.64857 1.65513 1.66100 1.66901 1.67783 1.68761 1.68977 1.69446 1.70211 1.70840 1.71466 1.72479 1.72594 1.73023 1.73991 1.74420 1.74647 1.75569 1.76601 1.77435 1.77880 1.78705 1.78927 1.79787 1.80457 1.80867 1.81135 1.82167 1.83587 1.84031 1.85141 1.85833 1.87176 1.88173 1.89311 1.89428 1.90967 1.92258 1.93544 1.95055 1.95698 1.96115 1.97191 1.97526 1.98695 2.01300 2.01874 2.02826 2.03774 2.04941 2.05855 2.06598 2.06899 2.07496 2.08633 2.09829 2.09883 2.11442 2.11539 2.13200 2.14000 2.15445 2.16710 2.17033 2.17769 2.18442 2.18761 2.19299 2.20470 2.22440 2.24389 2.24937 2.26810 2.27447 2.29620 2.30640 2.32362 2.33484 2.35738 2.36564 2.37317 2.38002 2.40096 2.40648 2.41200 2.42533 2.44014 2.44650 2.45664 2.46402 2.46831 2.48162 2.48766 2.50085 2.50798 2.51721 2.52266 2.52425 2.52653 2.52927 2.53395 2.54046 2.55037 2.55232 2.56332 2.56949 2.57637 2.58311 2.58470 2.58804 2.59977 2.60445 2.61059 2.61593 2.63301 2.64369 2.64785 2.65586 2.66273 2.66704 2.68590 2.70572 2.70703 2.71873 2.71978 2.73555 2.75159 2.76214 2.76541 2.76945 2.78790 2.79475 2.80104 2.81148 2.82347 2.83275 2.85525 2.86218 2.87426 2.88080 2.89202 2.89983 2.91233 2.91914 2.92031 2.93749 2.94466 2.96268 2.97105 2.98173 2.98784 2.99133 2.99661 3.00666 3.01533 3.04360 3.06426 3.07820 3.09241 3.10021 3.12006 3.12484 3.13592 3.14752 3.16178 3.18393 3.19678 3.21963 3.23077 3.24695 3.25883 3.26751 3.28926 3.30338 3.32966 3.35240 3.36727 3.37980 3.46230 3.47965 3.55845 3.57677 3.58946 3.62769 3.66316 3.67413 3.67923 3.70763 3.76647 3.76709 3.79194 3.79556 3.80511 3.81852 3.82399 3.83725 3.84304 3.84539 3.84641 3.84710 3.85713 3.86615 3.89734 3.95982 4.04927 4.08812 4.15271 4.19032 4.23366 4.27338 4.28322 4.31621 4.32148 4.35908 4.51678 4.55732 4.57464 4.60389 5.06756 5.09856 5.13561 5.22896 5.30177 5.40882 5.66519 5.73781 5.89924 23.63145 23.70324 23.81193 23.81451 23.83789 23.86695 23.87969 23.88620 23.93201 23.94888 23.96564 23.97350 23.98429 23.99449 23.99802 24.00936 24.15070 24.24036 24.26704 49.93611 50.01973 50.02939 1-A. Mulliken charges: 1 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 O O O C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H 0.141164 -0.291561 -0.385728 0.598037 -0.251686 0.415900 -0.508072 -0.548475 -0.453841 -0.882843 0.552950 -0.444214 -0.562508 -0.801189 -0.365290 0.413836 0.853499 -0.311534 -0.522992 -0.294612 -0.132632 -0.682953 0.192189 0.183102 0.160418 0.155440 0.160715 0.154759 0.155482 0.158518 0.143382 0.227711 0.159134 0.149222 0.155877 0.166616 0.167644 0.165872 0.242168 0.224668 0.168471 0.182106 0.191410 0.150330 0.172762 0.164949 0.163887 0.147912 -0.00000 2.1480 -3.1944 -4.6700 6.0520 -129.1001 -130.1962 -140.9414 14.2913 6.1961 -0.9354 4.3124 3.2164 -7.5288 14.2913 6.1961 -0.9354 -2.3089 -14.3768 -8.9693 29.7491 -40.2048 -76.3979 -1.0908 -6.5431 -15.4784 19.2351 -10563.3953 -2325.7937 -1050.0356 11.2035 243.2503 91.3924 -15.1238 -0.5527 7.6153 -2219.0064 -2049.1354 -581.8187 -65.9359 52.5469 52.8805 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-GALAPAGAR APULGAR 2025-01-27T00:00:00.000 0 Wavefunction Allethrin_RR CONF43 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-965.6556941 RMSD=3.313e-09 Dipole=0.7431032,1.8071747,1.3606141 Quadrupole=4.6434383,-0.2088156,-4.4346227,-11.3306218,-1.0388739,-2.8580275 PG=C01 [X(C19H26O3)] 0 -0.1400647293 0.6821094653 -0.2059933643 0 1.1008465478 0.3805955962 -2.0660324845 0 -3.5951734282 -2.3570645096 -0.8194292881 0 3.3313760693 1.8020412623 -0.3144992331 0 3.5555719421 0.3215596833 -0.346824428 0 2.168396582 0.8548822546 0.0375485815 0 3.872291284 2.6081416346 0.851747811 0 3.3099278092 2.5707283482 -1.620884381 0 4.3850736052 -0.4052592894 0.6570019975 0 1.0375476187 0.6185858176 -0.8731716778 0 4.1856655091 -1.6741660973 1.0410504771 0 -1.3499930992 0.4330356328 -0.9750281665 0 5.0923806404 -2.3509258668 2.0347463245 0 3.0549344437 -2.5253644173 0.52677589 0 -1.5972869939 -1.0486164913 -1.2419101088 0 -2.5174683455 0.8912780828 -0.1372980094 0 -3.4573658655 -0.0812402489 0.0096396613 0 -2.9870826078 -1.3047154768 -0.686514479 0 -2.5255508813 2.2844599363 0.3836672204 0 -4.7245196121 0.0555672848 0.7192769262 0 -5.6443600272 -0.9031115088 0.9122900106 0 -6.9253013255 -0.6938945015 1.6560584522 0 3.559882472 -0.1014040408 -1.3487326313 0 1.9064605889 0.818658443 1.087315463 0 3.2930598442 3.5284494255 0.9767195389 0 3.8353894377 2.0551548833 1.7927064422 0 4.9140775445 2.8906695977 0.6654804452 0 2.9391031154 1.9690489675 -2.4505873995 0 2.6804544649 3.4628160534 -1.5353737727 0 4.325098079 2.900341979 -1.8662094191 0 5.2245878698 0.1410256977 1.0814471131 0 -1.2879015562 1.0162675411 -1.8971508563 0 5.5521200038 -3.2443032794 1.5947532372 0 5.8908633669 -1.6898625943 2.3805311369 0 4.5239977421 -2.691828935 2.9087523038 0 2.4374323522 -2.8821805262 1.3600538598 0 2.4072256656 -1.9999803723 -0.1761923625 0 3.4474932807 -3.4192121594 0.026930286 0 -0.8775827772 -1.6698525453 -0.7015981273 0 -1.5502996797 -1.3203347897 -2.2974879129 0 -3.4621886437 2.5534496415 0.8709062529 0 -2.3375424304 2.9903728766 -0.433328465 0 -1.7096708458 2.4171063927 1.1028366062 0 -4.9248452273 1.0417962647 1.1323264503 0 -5.4716852085 -1.897827645 0.5159679137 0 -7.7866399881 -0.9169998094 1.0147943147 0 -6.9931775053 -1.3775995724 2.5109403676 0 -7.0255595477 0.3306881768 2.0247665003 Gaussian 16 27-Jan-2025 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(C19H26O3)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read td=(singlets,nstates=10) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 276.20149999999984 AuxInfo=1/0/N:4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;2;3;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/rA:48nO0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.1401,.6821,-.206;1.1008,.3806,-2.066;-3.5952,-2.3571,-.8194;3.3314,1.802,-.3145;3.5556,.3216,-.3468;2.1684,.8549,.0375;3.8723,2.6081,.8517;3.3099,2.5707,-1.6209;4.3851,-.4053,.657;1.0375,.6186,-.8732;4.1857,-1.6742,1.0411;-1.35,.433,-.975;5.0924,-2.3509,2.0347;3.0549,-2.5254,.5268;-1.5973,-1.0486,-1.2419;-2.5175,.8913,-.1373;-3.4574,-.0812,.0096;-2.9871,-1.3047,-.6865;-2.5256,2.2845,.3837;-4.7245,.0556,.7193;-5.6444,-.9031,.9123;-6.9253,-.6939,1.6561;3.5599,-.1014,-1.3487;1.9065,.8187,1.0873;3.2931,3.5284,.9767;3.8354,2.0552,1.7927;4.9141,2.8907,.6655;2.9391,1.969,-2.4506;2.6805,3.4628,-1.5354;4.3251,2.9003,-1.8662;5.2246,.141,1.0814;-1.2879,1.0163,-1.8972;5.5521,-3.2443,1.5948;5.8909,-1.6899,2.3805;4.524,-2.6918,2.9088;2.4374,-2.8822,1.3601;2.4072,-2,-.1762;3.4475,-3.4192,.0269;-.8776,-1.6699,-.7016;-1.5503,-1.3203,-2.2975;-3.4622,2.5535,.8709;-2.3375,2.9904,-.4333;-1.7097,2.4171,1.1028;-4.9248,1.0418,1.1323;-5.4717,-1.8978,.516;-7.7866,-.917,1.0148;-6.9932,-1.3776,2.5109;-7.0256,.3307,2.0248; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octa 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=1,70=32201,72=25,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6,53=25/2 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 Allethrin_RR CONF43 octanol Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 16 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5.6000000 5.6000000 5.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 662 A 640 A 640 1000 662 82 82 1769.8331893354 48 48 48 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0474291249 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 2.256217 0.000000 4.642269 5.576863 0.000000 3.649236 3.172324 8.095073 0.000000 3.715853 2.997472 7.650591 1.497710 0.000000 2.327693 2.406172 6.653552 1.540639 1.535067 0.000000 4.574649 4.599599 9.121904 1.517405 2.601027 2.576838 0.000000 4.179862 3.142432 8.520909 1.515910 2.596600 2.645302 2.536053 0.000000 4.733287 4.338045 8.347079 2.631781 1.491310 2.623992 3.062916 3.898873 0.000000 1.354966 1.218016 5.506313 2.640896 2.589539 1.471077 3.869038 3.087660 3.820422 0.000000 5.081249 4.836540 8.029271 3.827707 2.511202 3.387104 4.297930 5.086447 1.340665 4.339540 0.000000 1.455122 2.683217 3.584648 4.921960 4.946881 3.685422 5.944783 5.167371 6.021399 2.396905 6.256867 0.000000 6.449706 6.341131 9.144395 5.085983 3.895618 4.776577 5.242180 6.384626 2.486781 5.806519 1.505844 7.636319 0.000000 4.586160 4.357260 6.787085 4.417081 3.019734 3.528649 5.208317 5.536030 2.506207 3.989251 1.505845 5.514611 2.540785 0.000000 2.488380 3.162554 2.425299 5.768714 5.406525 4.409160 6.904460 6.109340 6.309391 3.139727 6.248661 1.525671 7.562020 5.191551 0.000000 2.387576 4.131951 3.489768 5.921982 6.103302 4.689267 6.689907 6.243407 7.068027 3.640606 7.273377 1.508236 8.552161 6.570092 2.414558 0.000000 3.410819 5.029812 2.426051 7.052576 7.033535 5.703184 7.852757 7.449014 7.875781 4.633936 7.875097 2.382241 9.074728 6.975043 2.441739 1.360437 0.000000 3.504837 4.631901 1.222653 7.050763 6.750295 5.636231 8.045353 7.452815 7.547367 4.464480 7.387103 2.404804 8.589385 6.282358 1.518415 2.311831 1.484146 0.000000 2.933559 4.772472 4.912767 5.918087 6.431691 4.919007 6.423103 6.176811 7.420649 4.129219 7.819418 2.579876 9.068944 7.368630 3.822770 1.487423 2.569964 3.773656 0.000000 4.718676 6.465175 3.076334 8.307606 8.352679 6.972514 8.968742 8.738120 9.121454 6.004523 9.082231 3.794810 10.192801 8.198669 3.852929 2.510619 1.458760 2.616354 3.148978 0.000000 5.836159 7.484392 3.051556 9.454454 9.366106 8.055736 10.143925 9.932966 10.045027 7.081760 9.861060 4.877381 10.891909 8.857655 4.586998 3.754853 2.504634 3.127073 4.490771 1.342544 0.000000 7.169383 8.912213 4.470338 10.738353 10.718740 9.365555 11.319822 11.231920 11.358081 8.457338 11.171068 6.267109 12.137291 10.209538 6.075507 5.015764 3.887495 4.622804 5.463275 2.506530 1.495919 0.000000 3.950868 2.606473 7.520837 2.178292 1.087537 2.184603 3.504476 2.697561 2.190032 2.665843 2.928523 4.952995 4.342445 3.106137 5.244523 6.275921 7.147542 6.689488 6.762104 8.540060 9.511732 10.923319 0.000000 2.424780 3.283979 6.632410 2.227669 2.241302 1.082559 2.668751 3.517643 2.797618 2.153729 3.378030 3.873817 4.592818 3.579900 4.603070 4.590871 5.544532 5.621562 4.720850 6.684883 7.746613 8.978380 3.084583 0.000000 4.613763 4.896236 9.236514 2.156200 3.479199 3.048749 1.094575 2.768585 4.094970 4.120284 5.279024 5.911755 6.238913 6.075180 7.056015 6.477495 7.715786 8.097285 5.979586 8.741211 9.975989 11.077211 4.319115 3.045957 0.000000 4.656639 5.017145 9.027968 2.181378 2.767895 2.701869 1.092044 3.492066 2.765071 4.122930 3.820408 6.097526 4.588263 4.815895 6.953867 6.740796 7.805626 7.998837 6.519167 8.855656 9.969560 11.107133 3.820378 2.397346 1.769337 0.000000 5.584045 5.319997 10.106979 2.156482 3.077438 3.475269 1.095370 2.811249 3.338123 4.749453 4.637819 6.926024 5.420425 5.727921 7.845635 7.737564 8.907493 9.047512 7.469604 10.047052 11.222045 12.409723 3.852714 3.676538 1.769557 1.769828 0.000000 4.021901 2.459726 8.004543 2.178220 2.742275 2.833051 3.490659 1.089925 4.169566 2.815653 5.197929 4.788837 6.589158 5.392389 5.580864 6.023875 7.153406 6.996368 6.164002 8.511202 9.655780 11.011916 2.426155 3.860894 3.781990 4.337774 3.802603 0.000000 4.177907 3.503833 8.588777 2.161575 3.470731 3.088302 2.801659 1.095157 4.761748 3.350716 5.940725 5.073270 7.236210 6.344368 6.224003 5.965386 7.253981 7.454589 5.672189 8.457330 9.713646 10.942304 3.675853 3.803832 2.586543 3.793613 3.187504 1.770835 0.000000 5.254955 4.096932 9.563826 2.145123 3.090440 3.529810 2.770867 1.095171 4.158989 4.123169 5.421967 6.252077 6.586501 6.064485 7.145535 7.337996 8.542563 8.517169 7.236895 9.832246 11.026169 12.324625 3.140671 4.348163 3.088991 3.787060 2.599316 1.769120 1.769373 0.000000 5.543444 5.193194 9.361729 2.879564 2.204125 3.307510 2.822787 4.107551 1.087826 4.645418 2.091868 6.894888 2.671344 3.482053 7.304192 7.873224 8.750685 8.523344 8.071298 9.956064 10.920296 12.192091 2.955637 3.386619 3.900821 2.469747 2.798211 4.586979 4.935044 4.136615 0.000000 2.071040 2.477644 4.226625 4.945700 5.132774 3.964228 6.059546 4.861348 6.381777 2.571847 6.769889 1.092852 8.216192 6.105637 2.188334 2.150474 3.089814 3.120868 2.888290 4.424814 5.527721 6.879697 5.005094 4.376076 5.962835 6.398628 6.967425 4.368255 4.675931 5.920849 7.214611 0.000000 7.145654 6.808456 9.502023 5.834599 4.524523 5.538754 6.133922 7.013012 3.209602 6.433811 2.153861 8.231996 1.096849 2.809517 7.998857 9.231538 9.679276 9.048987 9.863200 10.828893 11.458975 12.735556 4.744569 5.482334 7.166275 5.574101 6.237671 7.097301 7.939119 7.158248 3.439653 8.782468 0.000000 6.977711 6.855872 10.033434 5.099760 4.115565 5.081540 4.988452 6.389459 2.624531 6.282531 2.168445 8.258116 1.092770 3.489551 8.343001 9.148868 9.777432 9.400693 9.519387 10.885433 11.654874 12.875204 4.675904 4.882679 5.995836 4.312269 4.987663 6.740937 7.224343 6.446426 2.341729 8.783870 1.774396 0.000000 6.545119 6.775414 8.940489 5.657435 4.540610 5.135351 5.722384 7.048836 3.212177 6.116954 2.153698 7.704044 1.096887 2.803510 7.576165 8.467545 8.883816 8.441940 8.990864 9.893284 10.515744 11.689629 5.076022 4.742642 6.628712 4.924794 6.028990 7.277238 7.812078 7.356099 3.443100 8.403860 1.757514 1.775183 0.000000 4.669064 4.916324 6.435699 5.054226 3.798371 3.973291 5.697441 6.275465 3.228425 4.382047 2.148809 5.548681 2.790375 1.096804 5.139176 6.405630 6.664648 6.008511 7.230402 7.767529 8.332621 9.619615 4.041056 3.748670 6.478829 5.149636 6.319969 6.189272 6.978649 6.885465 4.121363 6.299634 3.144439 3.793307 2.605467 0.000000 3.699079 3.308363 6.047318 3.915169 2.595643 2.872797 4.943467 4.877846 2.673805 3.036229 2.179606 4.546911 3.495922 1.090743 4.251702 5.710823 6.173292 5.462818 6.557603 7.475890 8.198533 9.599951 2.511585 3.129208 5.716419 4.728672 5.559782 4.605319 5.635971 5.526984 3.755409 5.070840 3.817715 4.332290 3.804768 1.771791 0.000000 5.453959 4.932117 7.172422 5.233693 3.760950 4.461399 6.098342 6.213985 3.218689 4.787675 2.149075 6.233748 2.806816 1.096773 5.716598 7.361254 7.669383 6.810570 8.266583 8.907033 9.475042 10.847870 3.593457 4.632359 7.013983 5.765165 6.509472 5.952303 7.098694 6.655143 4.116475 6.767535 2.630231 3.807905 3.161146 1.756657 1.771337 0.000000 2.514216 3.159146 2.805609 5.469847 4.872827 4.024750 6.578406 6.030162 5.580371 2.988999 5.354748 2.172573 6.602417 4.207790 1.093547 3.093065 3.112046 2.140921 4.419297 4.449144 5.090648 6.563988 4.750780 4.140507 6.872653 6.504563 7.497373 5.555867 6.300722 7.022171 6.610221 2.968661 7.006654 7.437189 6.576940 4.087722 3.342903 4.722001 0.000000 3.220698 3.158372 2.727815 6.124723 5.707086 4.900272 7.399669 6.262585 6.692909 3.533418 6.646227 2.205296 7.997223 5.535047 1.091001 3.239300 3.239613 2.158663 4.597201 4.590169 5.219011 6.701761 5.338529 5.289743 7.595346 7.558391 8.264376 5.567605 6.431068 7.247097 7.710504 2.385127 8.324396 8.797234 8.116836 5.631961 4.541346 5.897978 1.766798 0.000000 3.962087 5.845357 5.195004 6.937025 7.464125 5.939958 7.334709 7.216016 8.389233 5.199340 8.740215 3.516390 9.929153 8.269563 4.573481 2.161432 2.771894 4.187687 1.089517 2.802836 4.087958 4.811949 7.828443 5.646125 6.826068 7.372426 8.385568 7.235356 6.659519 8.261596 9.017993 3.840910 10.742237 10.380956 9.769592 8.036844 7.502011 9.172169 5.195117 5.357261 0.000000 3.195101 4.615103 5.506886 5.793349 6.469841 5.008546 6.352917 5.786217 7.610040 4.148502 8.153770 2.794399 9.477585 7.773285 4.185119 2.127488 3.299247 4.351297 1.095966 3.954648 5.282514 6.243949 6.721359 5.004025 5.829360 6.628345 7.335074 5.740682 5.159263 6.815573 8.221870 2.672380 10.258220 9.875681 9.515128 7.778399 6.890760 8.646459 4.890925 4.762042 1.776727 0.000000 2.680842 4.699800 5.481143 5.272504 5.849411 4.314486 5.590871 5.713023 6.731302 3.832296 7.176163 2.895415 8.358857 6.889218 4.185893 2.125705 3.239020 4.322675 1.095655 3.848805 5.151886 6.098129 6.334136 3.953692 5.126237 5.599520 6.655042 5.868448 5.227510 6.742936 7.298284 3.337688 9.221017 8.733145 8.259611 6.734023 6.172148 7.862349 4.544402 5.055301 1.773048 1.755751 0.000000 4.981425 6.853878 4.138796 8.416440 8.638524 7.179663 8.939898 8.816422 9.433689 6.304860 9.507165 4.194175 10.614600 8.761747 4.591238 2.725815 2.162205 3.545310 2.803804 1.087836 2.085374 2.699767 8.913651 6.835097 8.587294 8.843343 10.022010 8.691303 8.415375 9.899841 10.189454 4.733471 11.329223 11.224951 10.313888 8.345812 8.045116 9.550840 5.205444 5.360116 2.119623 3.597549 3.497098 0.000000 5.966865 7.419981 2.348506 9.585019 9.336030 8.134934 10.379133 10.082205 9.970123 7.115628 9.674201 4.964306 10.682297 8.549688 4.338462 4.115005 2.759319 2.823295 5.117494 2.101272 1.084596 2.205054 9.395396 7.883069 10.318795 10.192044 11.437488 9.720830 9.970049 11.165759 10.903529 5.640846 11.158004 11.516395 10.308712 8.014710 7.909915 9.061209 4.758174 4.860689 4.896726 5.883750 5.754635 3.052920 0.000000 7.906806 9.495402 4.796515 11.522608 11.490596 10.158609 12.181292 11.926645 12.187719 9.153618 11.996253 6.871129 12.998678 10.971086 6.589243 5.688704 4.522327 5.106910 6.190858 3.226422 2.144776 1.096768 11.618736 9.847536 11.938309 12.021249 13.263808 11.635279 11.629540 13.021769 13.054345 7.379061 13.552683 13.767231 12.581292 10.416947 10.320184 11.551740 7.158761 7.072894 5.546675 6.859831 6.932068 3.469952 2.563175 0.000000 7.654364 9.463253 4.857689 11.166451 11.060293 9.748645 11.691769 11.781988 11.569232 8.940331 11.278965 6.875748 12.134036 10.306252 6.580862 5.673883 4.520953 5.126190 6.155945 3.226582 2.144791 1.096760 11.308971 9.276520 11.499123 11.382334 12.783058 11.595991 11.549088 12.867151 12.394493 7.596844 12.716465 12.888484 11.598740 9.618976 9.796715 10.924564 6.914211 7.262863 5.532698 7.030138 6.655674 3.468725 2.562321 1.755046 0.000000 7.246366 9.098110 5.203942 10.719289 10.843656 9.420862 11.194906 11.186190 11.515856 8.572901 11.431479 6.420381 12.411109 10.583826 6.483811 5.031070 4.118547 5.131753 5.173056 2.659846 2.160458 1.093511 11.118398 8.994327 10.853478 10.999448 12.286419 11.045701 10.802385 12.271114 12.287878 6.983708 13.082947 13.078348 11.971187 10.015617 9.962614 11.302121 7.016612 7.168419 4.355419 5.923990 5.784615 2.390633 3.107617 1.776517 1.776418 0.000000 C19H26O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 276.20149999999984 AuxInfo=1/0/N:4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;2;3;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/rA:48nO0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.1325,-.7059,.0009;1.1022,-.907,1.8786;-3.7686,1.7782,1.4704;3.4039,-1.5844,-.1968;3.5338,-.1729,.2869;2.1801,-.6503,-.2573;3.9852,-1.9615,-1.5467;3.4422,-2.7139,.8135;4.307,.8757,-.4387;1.0442,-.7742,.6692;4.0241,2.1861,-.4207;-1.3494,-.7795,.7954;4.8777,3.1889,-1.1511;2.8459,2.7673,.3152;-1.6881,.532,1.4976;-2.4923,-1.0337,-.1552;-3.4933,-.1239,-.0101;-3.096,.8568,1.0306;-2.4162,-2.1999,-1.0754;-4.7551,-.118,-.7421;-5.7356,.794,-.6448;-7.0068,.7406,-1.4315;3.5195,-.0755,1.37;1.9077,-.313,-1.2492;3.4646,-2.8348,-1.9523;3.9053,-1.1519,-2.2752;5.0443,-2.221,-1.4434;3.0408,-2.4179,1.7826;2.87,-3.5755,.4535;4.4783,-3.0378,.9585;5.176,.5386,-.9996;-1.2427,-1.6105,1.4971;5.2834,3.9332,-.4549;5.7136,2.7162,-1.6724;4.2815,3.7431,-1.8864;2.2001,3.3211,-.3771;2.2388,2.0132,.8175;3.185,3.4896,1.0677;-1.0139,1.3323,1.1801;-1.6497,.472,2.5862;-3.3379,-2.3664,-1.632;-2.1769,-3.1076,-.5098;-1.5996,-2.0557,-1.7915;-4.8958,-.9423,-1.4379;-5.6232,1.6297,.0373;-7.8752,.7032,-.7627;-7.1251,1.6464,-2.0386;-7.0448,-.1273,-2.0956; 0.4665240 0.1191082 0.1074024 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= 640 RedAO= T EigKep= 1.14D-06 NBF= 640 NBsUse= 638 1.00D-06 EigRej= 6.95D-07 NBFU= 638 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= 653 652 652 653 653 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -965.655694086495 -965.655694086 1 9.613282187773e+02 -5.787220377436e+03 2.090450389305e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323731410 LenY= 11323292504 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 3.9178 316.46 0.0033 0.000 80 83 0.66146 80 85 -0.12692 81 83 -0.18800 -965.511716438 2 Singlet-A 4.2364 292.67 0.2504 0.000 82 83 0.68060 82 85 -0.10054 3 Singlet-A 4.2746 290.05 0.0338 0.000 80 83 0.17729 81 83 0.66883 82 83 0.12138 4 Singlet-A 5.2198 237.53 0.3163 0.000 81 84 0.42513 81 85 0.23280 82 84 0.48704 5 Singlet-A 5.3307 232.58 0.0276 0.000 81 84 0.47470 81 85 0.14475 82 84 -0.45216 82 85 -0.13513 6 Singlet-A 5.3872 230.14 0.1812 0.000 78 83 -0.16107 79 83 0.42329 80 84 0.22568 80 85 -0.31695 81 84 -0.12107 81 85 0.23635 82 85 -0.21581 7 Singlet-A 5.4123 229.08 0.0329 0.000 78 83 -0.16082 79 83 0.40490 80 83 0.11979 80 84 -0.26271 80 85 0.41957 81 85 -0.13594 82 85 -0.13402 8 Singlet-A 5.4822 226.16 0.4682 0.000 78 83 -0.10659 79 83 0.27602 80 85 -0.10161 81 84 0.10310 81 85 -0.18681 82 84 -0.11854 82 85 0.55439 9 Singlet-A 5.6021 221.32 0.0068 0.000 80 84 -0.12976 80 85 0.17593 81 84 -0.22992 81 85 0.54844 82 84 -0.11900 82 85 0.26914 10 Singlet-A 5.6322 220.13 0.0004 0.000 77 83 0.10411 78 83 0.63894 79 83 0.26473 PT18752.900S 2025-01-27T15:56:35.000 -19.17335 -19.11874 -19.11730 -10.30892 -10.26696 -10.24309 -10.20798 -10.19804 -10.19098 -10.18585 -10.18309 -10.17710 -10.17682 -10.17564 -10.17302 -10.17046 -10.16069 -10.15981 -10.15821 -10.15688 -10.15632 -10.15502 -1.11312 -1.04992 -1.02692 -0.88460 -0.87146 -0.80699 -0.80179 -0.76248 -0.74726 -0.73259 -0.70830 -0.69027 -0.68776 -0.67932 -0.67179 -0.63106 -0.58416 -0.57394 -0.55520 -0.55215 -0.52554 -0.52368 -0.50290 -0.49432 -0.48507 -0.46982 -0.46118 -0.45913 -0.45169 -0.44499 -0.43525 -0.42888 -0.42679 -0.42249 -0.41878 -0.40987 -0.40844 -0.40277 -0.39789 -0.39722 -0.39453 -0.38438 -0.38020 -0.37797 -0.37548 -0.36717 -0.36606 -0.36293 -0.35733 -0.35149 -0.34630 -0.33339 -0.31914 -0.31503 -0.30162 -0.29044 -0.28147 -0.25922 -0.23468 -0.23395 -0.06272 -0.01889 -0.01518 0.00413 0.01259 0.01381 0.01747 0.02142 0.02577 0.03084 0.03582 0.04047 0.04356 0.04548 0.04828 0.05180 0.05580 0.05635 0.06100 0.06126 0.06544 0.06844 0.07155 0.07267 0.07594 0.08006 0.08149 0.08821 0.08992 0.09126 0.09355 0.09828 0.10127 0.10494 0.10604 0.11038 0.11099 0.11489 0.12170 0.12334 0.12893 0.13041 0.13532 0.13642 0.13926 0.14161 0.14596 0.14885 0.15022 0.15319 0.15800 0.16195 0.16438 0.16761 0.16936 0.17263 0.17370 0.17804 0.18086 0.18579 0.18925 0.19063 0.19268 0.19651 0.19786 0.19967 0.20286 0.20586 0.20648 0.21119 0.21320 0.21507 0.21665 0.22035 0.22260 0.22543 0.22729 0.23027 0.23075 0.23418 0.23607 0.23838 0.24092 0.24355 0.24673 0.25090 0.25205 0.25605 0.25800 0.26120 0.26411 0.26929 0.27034 0.27068 0.27160 0.27438 0.27881 0.28378 0.28574 0.28934 0.28943 0.29680 0.29809 0.30190 0.30486 0.30753 0.30855 0.31280 0.31440 0.31827 0.32178 0.32562 0.32966 0.33101 0.33339 0.34497 0.34624 0.35031 0.36451 0.36661 0.37061 0.37731 0.38121 0.38454 0.38978 0.39188 0.39548 0.40137 0.40886 0.41280 0.41846 0.42206 0.42844 0.43252 0.43703 0.44660 0.45346 0.45960 0.46105 0.46734 0.46796 0.47404 0.48396 0.48506 0.49316 0.50250 0.51682 0.52035 0.52689 0.52826 0.54007 0.54514 0.54707 0.55213 0.55706 0.56758 0.57046 0.57854 0.58323 0.58587 0.58861 0.59662 0.59692 0.60116 0.60879 0.61701 0.61945 0.62158 0.62380 0.62673 0.63543 0.63761 0.64393 0.64859 0.65078 0.65404 0.65738 0.66207 0.66430 0.66818 0.67068 0.67682 0.67820 0.67978 0.68667 0.69210 0.69912 0.70352 0.70543 0.71016 0.71468 0.71655 0.71757 0.72438 0.72494 0.73584 0.73681 0.74339 0.74471 0.74977 0.75378 0.75731 0.76264 0.76791 0.77119 0.77873 0.78622 0.79611 0.80224 0.80865 0.81463 0.81720 0.82322 0.83226 0.85815 0.86335 0.87074 0.88047 0.88373 0.90206 0.90571 0.91708 0.91822 0.93605 0.93897 0.94040 0.95301 0.96295 0.97177 0.97907 0.98602 0.99407 1.00499 1.00921 1.02984 1.03828 1.04768 1.05285 1.07805 1.08626 1.09197 1.09883 1.11105 1.11433 1.12779 1.12955 1.13810 1.14982 1.16676 1.18155 1.19394 1.20691 1.21583 1.22588 1.23410 1.25530 1.26861 1.27374 1.28595 1.30898 1.32387 1.33029 1.34030 1.34375 1.35384 1.35980 1.37857 1.38502 1.39641 1.40680 1.41513 1.41970 1.42965 1.44091 1.44614 1.44901 1.45431 1.46362 1.47081 1.47304 1.47775 1.48305 1.48757 1.49114 1.49281 1.50760 1.50919 1.51637 1.51962 1.53194 1.53521 1.54917 1.55196 1.56716 1.57003 1.57402 1.57598 1.57898 1.58331 1.58656 1.59874 1.60276 1.61565 1.62573 1.62967 1.63935 1.64247 1.64857 1.65513 1.66100 1.66901 1.67783 1.68761 1.68977 1.69446 1.70211 1.70840 1.71466 1.72479 1.72594 1.73023 1.73991 1.74420 1.74647 1.75569 1.76601 1.77435 1.77880 1.78705 1.78927 1.79787 1.80457 1.80867 1.81135 1.82167 1.83587 1.84031 1.85141 1.85833 1.87176 1.88173 1.89311 1.89428 1.90967 1.92258 1.93544 1.95055 1.95698 1.96115 1.97191 1.97526 1.98695 2.01300 2.01874 2.02826 2.03774 2.04941 2.05855 2.06598 2.06899 2.07496 2.08633 2.09829 2.09883 2.11442 2.11539 2.13200 2.14000 2.15445 2.16710 2.17033 2.17769 2.18442 2.18761 2.19299 2.20470 2.22440 2.24389 2.24937 2.26810 2.27447 2.29620 2.30640 2.32362 2.33484 2.35738 2.36564 2.37317 2.38002 2.40096 2.40648 2.41200 2.42533 2.44014 2.44650 2.45664 2.46402 2.46831 2.48162 2.48766 2.50085 2.50798 2.51721 2.52266 2.52425 2.52653 2.52927 2.53395 2.54046 2.55037 2.55232 2.56332 2.56949 2.57637 2.58311 2.58470 2.58804 2.59977 2.60445 2.61059 2.61593 2.63301 2.64369 2.64785 2.65586 2.66273 2.66704 2.68590 2.70572 2.70703 2.71873 2.71978 2.73555 2.75159 2.76214 2.76541 2.76945 2.78790 2.79475 2.80104 2.81148 2.82347 2.83275 2.85525 2.86218 2.87426 2.88080 2.89202 2.89983 2.91233 2.91914 2.92031 2.93749 2.94466 2.96268 2.97105 2.98173 2.98784 2.99133 2.99661 3.00666 3.01533 3.04360 3.06426 3.07820 3.09241 3.10021 3.12006 3.12484 3.13592 3.14752 3.16178 3.18393 3.19678 3.21963 3.23077 3.24695 3.25883 3.26751 3.28926 3.30338 3.32966 3.35240 3.36727 3.37980 3.46230 3.47965 3.55845 3.57677 3.58946 3.62769 3.66316 3.67413 3.67923 3.70763 3.76647 3.76709 3.79194 3.79556 3.80511 3.81852 3.82399 3.83725 3.84304 3.84539 3.84641 3.84710 3.85713 3.86615 3.89734 3.95982 4.04927 4.08812 4.15271 4.19032 4.23366 4.27338 4.28322 4.31621 4.32148 4.35908 4.51678 4.55732 4.57464 4.60389 5.06756 5.09856 5.13561 5.22896 5.30177 5.40882 5.66519 5.73781 5.89924 23.63145 23.70324 23.81193 23.81451 23.83789 23.86695 23.87969 23.88620 23.93201 23.94888 23.96564 23.97350 23.98429 23.99449 23.99802 24.00936 24.15070 24.24036 24.26704 49.93611 50.01973 50.02939 1-A. Mulliken charges: 1 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 O O O C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H 0.141164 -0.291561 -0.385728 0.598037 -0.251686 0.415900 -0.508072 -0.548475 -0.453841 -0.882843 0.552950 -0.444214 -0.562508 -0.801189 -0.365290 0.413836 0.853499 -0.311534 -0.522992 -0.294612 -0.132632 -0.682953 0.192189 0.183102 0.160418 0.155440 0.160715 0.154759 0.155482 0.158518 0.143382 0.227711 0.159134 0.149222 0.155877 0.166616 0.167644 0.165872 0.242168 0.224668 0.168471 0.182106 0.191410 0.150330 0.172762 0.164949 0.163887 0.147912 -0.00000 2.1480 -3.1944 -4.6700 6.0520 -129.1001 -130.1962 -140.9414 14.2913 6.1961 -0.9354 4.3124 3.2164 -7.5288 14.2913 6.1961 -0.9354 -2.3089 -14.3768 -8.9693 29.7491 -40.2048 -76.3979 -1.0908 -6.5431 -15.4784 19.2351 -10563.3953 -2325.7937 -1050.0356 11.2035 243.2503 91.3924 -15.1238 -0.5527 7.6153 -2219.0064 -2049.1354 -581.8187 -65.9359 52.5469 52.8805 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-GALAPAGAR APULGAR 2025-01-27T00:00:00.000 0 Electronic spectrum Allethrin_RR CONF43 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-965.6556941 RMSD=3.465e-09 PG=C01 [X(C19H26O3)] 0 -0.1400647293 0.6821094653 -0.2059933643 0 1.1008465478 0.3805955962 -2.0660324845 0 -3.5951734282 -2.3570645096 -0.8194292881 0 3.3313760693 1.8020412623 -0.3144992331 0 3.5555719421 0.3215596833 -0.346824428 0 2.168396582 0.8548822546 0.0375485815 0 3.872291284 2.6081416346 0.851747811 0 3.3099278092 2.5707283482 -1.620884381 0 4.3850736052 -0.4052592894 0.6570019975 0 1.0375476187 0.6185858176 -0.8731716778 0 4.1856655091 -1.6741660973 1.0410504771 0 -1.3499930992 0.4330356328 -0.9750281665 0 5.0923806404 -2.3509258668 2.0347463245 0 3.0549344437 -2.5253644173 0.52677589 0 -1.5972869939 -1.0486164913 -1.2419101088 0 -2.5174683455 0.8912780828 -0.1372980094 0 -3.4573658655 -0.0812402489 0.0096396613 0 -2.9870826078 -1.3047154768 -0.686514479 0 -2.5255508813 2.2844599363 0.3836672204 0 -4.7245196121 0.0555672848 0.7192769262 0 -5.6443600272 -0.9031115088 0.9122900106 0 -6.9253013255 -0.6938945015 1.6560584522 0 3.559882472 -0.1014040408 -1.3487326313 0 1.9064605889 0.818658443 1.087315463 0 3.2930598442 3.5284494255 0.9767195389 0 3.8353894377 2.0551548833 1.7927064422 0 4.9140775445 2.8906695977 0.6654804452 0 2.9391031154 1.9690489675 -2.4505873995 0 2.6804544649 3.4628160534 -1.5353737727 0 4.325098079 2.900341979 -1.8662094191 0 5.2245878698 0.1410256977 1.0814471131 0 -1.2879015562 1.0162675411 -1.8971508563 0 5.5521200038 -3.2443032794 1.5947532372 0 5.8908633669 -1.6898625943 2.3805311369 0 4.5239977421 -2.691828935 2.9087523038 0 2.4374323522 -2.8821805262 1.3600538598 0 2.4072256656 -1.9999803723 -0.1761923625 0 3.4474932807 -3.4192121594 0.026930286 0 -0.8775827772 -1.6698525453 -0.7015981273 0 -1.5502996797 -1.3203347897 -2.2974879129 0 -3.4621886437 2.5534496415 0.8709062529 0 -2.3375424304 2.9903728766 -0.433328465 0 -1.7096708458 2.4171063927 1.1028366062 0 -4.9248452273 1.0417962647 1.1323264503 0 -5.4716852085 -1.897827645 0.5159679137 0 -7.7866399881 -0.9169998094 1.0147943147 0 -6.9931775053 -1.3775995724 2.5109403676 0 -7.0255595477 0.3306881768 2.0247665003 Gaussian 16 27-Jan-2025 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(C19H26O3)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 276.20149999999984 AuxInfo=1/0/N:4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;2;3;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/rA:48nO0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.1401,.6821,-.206;1.1008,.3806,-2.066;-3.5952,-2.3571,-.8194;3.3314,1.802,-.3145;3.5556,.3216,-.3468;2.1684,.8549,.0375;3.8723,2.6081,.8517;3.3099,2.5707,-1.6209;4.3851,-.4053,.657;1.0375,.6186,-.8732;4.1857,-1.6742,1.0411;-1.35,.433,-.975;5.0924,-2.3509,2.0347;3.0549,-2.5254,.5268;-1.5973,-1.0486,-1.2419;-2.5175,.8913,-.1373;-3.4574,-.0812,.0096;-2.9871,-1.3047,-.6865;-2.5256,2.2845,.3837;-4.7245,.0556,.7193;-5.6444,-.9031,.9123;-6.9253,-.6939,1.6561;3.5599,-.1014,-1.3487;1.9065,.8187,1.0873;3.2931,3.5284,.9767;3.8354,2.0552,1.7927;4.9141,2.8907,.6655;2.9391,1.969,-2.4506;2.6805,3.4628,-1.5354;4.3251,2.9003,-1.8662;5.2246,.141,1.0814;-1.2879,1.0163,-1.8972;5.5521,-3.2443,1.5948;5.8909,-1.6899,2.3805;4.524,-2.6918,2.9088;2.4374,-2.8822,1.3601;2.4072,-2,-.1762;3.4475,-3.4192,.0269;-.8776,-1.6699,-.7016;-1.5503,-1.3203,-2.2975;-3.4622,2.5535,.8709;-2.3375,2.9904,-.4333;-1.7097,2.4171,1.1028;-4.9248,1.0418,1.1323;-5.4717,-1.8978,.516;-7.7866,-.917,1.0148;-6.9932,-1.3776,2.5109;-7.0256,.3307,2.0248; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-O 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=1,70=32201,72=25,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6,53=25/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point Allethrin_RR CONF43 octanol Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 16 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5.6000000 5.6000000 5.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 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 1224 A 1092 A 1092 1562 1224 82 82 1769.8331893354 48 48 48 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0474291249 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 2.256217 0.000000 4.642269 5.576863 0.000000 3.649236 3.172324 8.095073 0.000000 3.715853 2.997472 7.650591 1.497710 0.000000 2.327693 2.406172 6.653552 1.540639 1.535067 0.000000 4.574649 4.599599 9.121904 1.517405 2.601027 2.576838 0.000000 4.179862 3.142432 8.520909 1.515910 2.596600 2.645302 2.536053 0.000000 4.733287 4.338045 8.347079 2.631781 1.491310 2.623992 3.062916 3.898873 0.000000 1.354966 1.218016 5.506313 2.640896 2.589539 1.471077 3.869038 3.087660 3.820422 0.000000 5.081249 4.836540 8.029271 3.827707 2.511202 3.387104 4.297930 5.086447 1.340665 4.339540 0.000000 1.455122 2.683217 3.584648 4.921960 4.946881 3.685422 5.944783 5.167371 6.021399 2.396905 6.256867 0.000000 6.449706 6.341131 9.144395 5.085983 3.895618 4.776577 5.242180 6.384626 2.486781 5.806519 1.505844 7.636319 0.000000 4.586160 4.357260 6.787085 4.417081 3.019734 3.528649 5.208317 5.536030 2.506207 3.989251 1.505845 5.514611 2.540785 0.000000 2.488380 3.162554 2.425299 5.768714 5.406525 4.409160 6.904460 6.109340 6.309391 3.139727 6.248661 1.525671 7.562020 5.191551 0.000000 2.387576 4.131951 3.489768 5.921982 6.103302 4.689267 6.689907 6.243407 7.068027 3.640606 7.273377 1.508236 8.552161 6.570092 2.414558 0.000000 3.410819 5.029812 2.426051 7.052576 7.033535 5.703184 7.852757 7.449014 7.875781 4.633936 7.875097 2.382241 9.074728 6.975043 2.441739 1.360437 0.000000 3.504837 4.631901 1.222653 7.050763 6.750295 5.636231 8.045353 7.452815 7.547367 4.464480 7.387103 2.404804 8.589385 6.282358 1.518415 2.311831 1.484146 0.000000 2.933559 4.772472 4.912767 5.918087 6.431691 4.919007 6.423103 6.176811 7.420649 4.129219 7.819418 2.579876 9.068944 7.368630 3.822770 1.487423 2.569964 3.773656 0.000000 4.718676 6.465175 3.076334 8.307606 8.352679 6.972514 8.968742 8.738120 9.121454 6.004523 9.082231 3.794810 10.192801 8.198669 3.852929 2.510619 1.458760 2.616354 3.148978 0.000000 5.836159 7.484392 3.051556 9.454454 9.366106 8.055736 10.143925 9.932966 10.045027 7.081760 9.861060 4.877381 10.891909 8.857655 4.586998 3.754853 2.504634 3.127073 4.490771 1.342544 0.000000 7.169383 8.912213 4.470338 10.738353 10.718740 9.365555 11.319822 11.231920 11.358081 8.457338 11.171068 6.267109 12.137291 10.209538 6.075507 5.015764 3.887495 4.622804 5.463275 2.506530 1.495919 0.000000 3.950868 2.606473 7.520837 2.178292 1.087537 2.184603 3.504476 2.697561 2.190032 2.665843 2.928523 4.952995 4.342445 3.106137 5.244523 6.275921 7.147542 6.689488 6.762104 8.540060 9.511732 10.923319 0.000000 2.424780 3.283979 6.632410 2.227669 2.241302 1.082559 2.668751 3.517643 2.797618 2.153729 3.378030 3.873817 4.592818 3.579900 4.603070 4.590871 5.544532 5.621562 4.720850 6.684883 7.746613 8.978380 3.084583 0.000000 4.613763 4.896236 9.236514 2.156200 3.479199 3.048749 1.094575 2.768585 4.094970 4.120284 5.279024 5.911755 6.238913 6.075180 7.056015 6.477495 7.715786 8.097285 5.979586 8.741211 9.975989 11.077211 4.319115 3.045957 0.000000 4.656639 5.017145 9.027968 2.181378 2.767895 2.701869 1.092044 3.492066 2.765071 4.122930 3.820408 6.097526 4.588263 4.815895 6.953867 6.740796 7.805626 7.998837 6.519167 8.855656 9.969560 11.107133 3.820378 2.397346 1.769337 0.000000 5.584045 5.319997 10.106979 2.156482 3.077438 3.475269 1.095370 2.811249 3.338123 4.749453 4.637819 6.926024 5.420425 5.727921 7.845635 7.737564 8.907493 9.047512 7.469604 10.047052 11.222045 12.409723 3.852714 3.676538 1.769557 1.769828 0.000000 4.021901 2.459726 8.004543 2.178220 2.742275 2.833051 3.490659 1.089925 4.169566 2.815653 5.197929 4.788837 6.589158 5.392389 5.580864 6.023875 7.153406 6.996368 6.164002 8.511202 9.655780 11.011916 2.426155 3.860894 3.781990 4.337774 3.802603 0.000000 4.177907 3.503833 8.588777 2.161575 3.470731 3.088302 2.801659 1.095157 4.761748 3.350716 5.940725 5.073270 7.236210 6.344368 6.224003 5.965386 7.253981 7.454589 5.672189 8.457330 9.713646 10.942304 3.675853 3.803832 2.586543 3.793613 3.187504 1.770835 0.000000 5.254955 4.096932 9.563826 2.145123 3.090440 3.529810 2.770867 1.095171 4.158989 4.123169 5.421967 6.252077 6.586501 6.064485 7.145535 7.337996 8.542563 8.517169 7.236895 9.832246 11.026169 12.324625 3.140671 4.348163 3.088991 3.787060 2.599316 1.769120 1.769373 0.000000 5.543444 5.193194 9.361729 2.879564 2.204125 3.307510 2.822787 4.107551 1.087826 4.645418 2.091868 6.894888 2.671344 3.482053 7.304192 7.873224 8.750685 8.523344 8.071298 9.956064 10.920296 12.192091 2.955637 3.386619 3.900821 2.469747 2.798211 4.586979 4.935044 4.136615 0.000000 2.071040 2.477644 4.226625 4.945700 5.132774 3.964228 6.059546 4.861348 6.381777 2.571847 6.769889 1.092852 8.216192 6.105637 2.188334 2.150474 3.089814 3.120868 2.888290 4.424814 5.527721 6.879697 5.005094 4.376076 5.962835 6.398628 6.967425 4.368255 4.675931 5.920849 7.214611 0.000000 7.145654 6.808456 9.502023 5.834599 4.524523 5.538754 6.133922 7.013012 3.209602 6.433811 2.153861 8.231996 1.096849 2.809517 7.998857 9.231538 9.679276 9.048987 9.863200 10.828893 11.458975 12.735556 4.744569 5.482334 7.166275 5.574101 6.237671 7.097301 7.939119 7.158248 3.439653 8.782468 0.000000 6.977711 6.855872 10.033434 5.099760 4.115565 5.081540 4.988452 6.389459 2.624531 6.282531 2.168445 8.258116 1.092770 3.489551 8.343001 9.148868 9.777432 9.400693 9.519387 10.885433 11.654874 12.875204 4.675904 4.882679 5.995836 4.312269 4.987663 6.740937 7.224343 6.446426 2.341729 8.783870 1.774396 0.000000 6.545119 6.775414 8.940489 5.657435 4.540610 5.135351 5.722384 7.048836 3.212177 6.116954 2.153698 7.704044 1.096887 2.803510 7.576165 8.467545 8.883816 8.441940 8.990864 9.893284 10.515744 11.689629 5.076022 4.742642 6.628712 4.924794 6.028990 7.277238 7.812078 7.356099 3.443100 8.403860 1.757514 1.775183 0.000000 4.669064 4.916324 6.435699 5.054226 3.798371 3.973291 5.697441 6.275465 3.228425 4.382047 2.148809 5.548681 2.790375 1.096804 5.139176 6.405630 6.664648 6.008511 7.230402 7.767529 8.332621 9.619615 4.041056 3.748670 6.478829 5.149636 6.319969 6.189272 6.978649 6.885465 4.121363 6.299634 3.144439 3.793307 2.605467 0.000000 3.699079 3.308363 6.047318 3.915169 2.595643 2.872797 4.943467 4.877846 2.673805 3.036229 2.179606 4.546911 3.495922 1.090743 4.251702 5.710823 6.173292 5.462818 6.557603 7.475890 8.198533 9.599951 2.511585 3.129208 5.716419 4.728672 5.559782 4.605319 5.635971 5.526984 3.755409 5.070840 3.817715 4.332290 3.804768 1.771791 0.000000 5.453959 4.932117 7.172422 5.233693 3.760950 4.461399 6.098342 6.213985 3.218689 4.787675 2.149075 6.233748 2.806816 1.096773 5.716598 7.361254 7.669383 6.810570 8.266583 8.907033 9.475042 10.847870 3.593457 4.632359 7.013983 5.765165 6.509472 5.952303 7.098694 6.655143 4.116475 6.767535 2.630231 3.807905 3.161146 1.756657 1.771337 0.000000 2.514216 3.159146 2.805609 5.469847 4.872827 4.024750 6.578406 6.030162 5.580371 2.988999 5.354748 2.172573 6.602417 4.207790 1.093547 3.093065 3.112046 2.140921 4.419297 4.449144 5.090648 6.563988 4.750780 4.140507 6.872653 6.504563 7.497373 5.555867 6.300722 7.022171 6.610221 2.968661 7.006654 7.437189 6.576940 4.087722 3.342903 4.722001 0.000000 3.220698 3.158372 2.727815 6.124723 5.707086 4.900272 7.399669 6.262585 6.692909 3.533418 6.646227 2.205296 7.997223 5.535047 1.091001 3.239300 3.239613 2.158663 4.597201 4.590169 5.219011 6.701761 5.338529 5.289743 7.595346 7.558391 8.264376 5.567605 6.431068 7.247097 7.710504 2.385127 8.324396 8.797234 8.116836 5.631961 4.541346 5.897978 1.766798 0.000000 3.962087 5.845357 5.195004 6.937025 7.464125 5.939958 7.334709 7.216016 8.389233 5.199340 8.740215 3.516390 9.929153 8.269563 4.573481 2.161432 2.771894 4.187687 1.089517 2.802836 4.087958 4.811949 7.828443 5.646125 6.826068 7.372426 8.385568 7.235356 6.659519 8.261596 9.017993 3.840910 10.742237 10.380956 9.769592 8.036844 7.502011 9.172169 5.195117 5.357261 0.000000 3.195101 4.615103 5.506886 5.793349 6.469841 5.008546 6.352917 5.786217 7.610040 4.148502 8.153770 2.794399 9.477585 7.773285 4.185119 2.127488 3.299247 4.351297 1.095966 3.954648 5.282514 6.243949 6.721359 5.004025 5.829360 6.628345 7.335074 5.740682 5.159263 6.815573 8.221870 2.672380 10.258220 9.875681 9.515128 7.778399 6.890760 8.646459 4.890925 4.762042 1.776727 0.000000 2.680842 4.699800 5.481143 5.272504 5.849411 4.314486 5.590871 5.713023 6.731302 3.832296 7.176163 2.895415 8.358857 6.889218 4.185893 2.125705 3.239020 4.322675 1.095655 3.848805 5.151886 6.098129 6.334136 3.953692 5.126237 5.599520 6.655042 5.868448 5.227510 6.742936 7.298284 3.337688 9.221017 8.733145 8.259611 6.734023 6.172148 7.862349 4.544402 5.055301 1.773048 1.755751 0.000000 4.981425 6.853878 4.138796 8.416440 8.638524 7.179663 8.939898 8.816422 9.433689 6.304860 9.507165 4.194175 10.614600 8.761747 4.591238 2.725815 2.162205 3.545310 2.803804 1.087836 2.085374 2.699767 8.913651 6.835097 8.587294 8.843343 10.022010 8.691303 8.415375 9.899841 10.189454 4.733471 11.329223 11.224951 10.313888 8.345812 8.045116 9.550840 5.205444 5.360116 2.119623 3.597549 3.497098 0.000000 5.966865 7.419981 2.348506 9.585019 9.336030 8.134934 10.379133 10.082205 9.970123 7.115628 9.674201 4.964306 10.682297 8.549688 4.338462 4.115005 2.759319 2.823295 5.117494 2.101272 1.084596 2.205054 9.395396 7.883069 10.318795 10.192044 11.437488 9.720830 9.970049 11.165759 10.903529 5.640846 11.158004 11.516395 10.308712 8.014710 7.909915 9.061209 4.758174 4.860689 4.896726 5.883750 5.754635 3.052920 0.000000 7.906806 9.495402 4.796515 11.522608 11.490596 10.158609 12.181292 11.926645 12.187719 9.153618 11.996253 6.871129 12.998678 10.971086 6.589243 5.688704 4.522327 5.106910 6.190858 3.226422 2.144776 1.096768 11.618736 9.847536 11.938309 12.021249 13.263808 11.635279 11.629540 13.021769 13.054345 7.379061 13.552683 13.767231 12.581292 10.416947 10.320184 11.551740 7.158761 7.072894 5.546675 6.859831 6.932068 3.469952 2.563175 0.000000 7.654364 9.463253 4.857689 11.166451 11.060293 9.748645 11.691769 11.781988 11.569232 8.940331 11.278965 6.875748 12.134036 10.306252 6.580862 5.673883 4.520953 5.126190 6.155945 3.226582 2.144791 1.096760 11.308971 9.276520 11.499123 11.382334 12.783058 11.595991 11.549088 12.867151 12.394493 7.596844 12.716465 12.888484 11.598740 9.618976 9.796715 10.924564 6.914211 7.262863 5.532698 7.030138 6.655674 3.468725 2.562321 1.755046 0.000000 7.246366 9.098110 5.203942 10.719289 10.843656 9.420862 11.194906 11.186190 11.515856 8.572901 11.431479 6.420381 12.411109 10.583826 6.483811 5.031070 4.118547 5.131753 5.173056 2.659846 2.160458 1.093511 11.118398 8.994327 10.853478 10.999448 12.286419 11.045701 10.802385 12.271114 12.287878 6.983708 13.082947 13.078348 11.971187 10.015617 9.962614 11.302121 7.016612 7.168419 4.355419 5.923990 5.784615 2.390633 3.107617 1.776517 1.776418 0.000000 C19H26O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 276.20149999999984 AuxInfo=1/0/N:4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;2;3;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/rA:48nO0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.1325,-.7059,.0009;1.1022,-.907,1.8786;-3.7686,1.7782,1.4704;3.4039,-1.5844,-.1968;3.5338,-.1729,.2869;2.1801,-.6503,-.2573;3.9852,-1.9615,-1.5467;3.4422,-2.7139,.8135;4.307,.8757,-.4387;1.0442,-.7742,.6692;4.0241,2.1861,-.4207;-1.3494,-.7795,.7954;4.8777,3.1889,-1.1511;2.8459,2.7673,.3152;-1.6881,.532,1.4976;-2.4923,-1.0337,-.1552;-3.4933,-.1239,-.0101;-3.096,.8568,1.0306;-2.4162,-2.1999,-1.0754;-4.7551,-.118,-.7421;-5.7356,.794,-.6448;-7.0068,.7406,-1.4315;3.5195,-.0755,1.37;1.9077,-.313,-1.2492;3.4646,-2.8348,-1.9523;3.9053,-1.1519,-2.2752;5.0443,-2.221,-1.4434;3.0408,-2.4179,1.7826;2.87,-3.5755,.4535;4.4783,-3.0378,.9585;5.176,.5386,-.9996;-1.2427,-1.6105,1.4971;5.2834,3.9332,-.4549;5.7136,2.7162,-1.6724;4.2815,3.7431,-1.8864;2.2001,3.3211,-.3771;2.2388,2.0132,.8175;3.185,3.4896,1.0677;-1.0139,1.3323,1.1801;-1.6497,.472,2.5862;-3.3379,-2.3664,-1.632;-2.1769,-3.1076,-.5098;-1.5996,-2.0557,-1.7915;-4.8958,-.9423,-1.4379;-5.6232,1.6297,.0373;-7.8752,.7032,-.7627;-7.1251,1.6464,-2.0386;-7.0448,-.1273,-2.0956; 0.4665240 0.1191082 0.1074024 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= 1092 RedAO= T EigKep= 1.19D-06 NBF= 1092 NBsUse= 1089 1.00D-06 EigRej= 7.05D-07 NBFU= 1089 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= 1196 1196 1196 1196 1196 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -965.662497577322 -965.718649530452 -0.056151953130 -965.718695552313 -0.000046021861 -965.718861090188 -0.000165537875 -965.718883167707 -0.000022077519 -965.718886831931 -0.000003664225 -965.718886977280 -0.000000145349 -965.718887011135 -0.000000033855 -965.718887011809 -0.000000000673 -965.718887011980 -0.000000000171 -965.718887011979 0.000000000001 -965.718887012028 -0.000000000049 -965.718887012 12 9.610766706960e+02 -5.787275082597e+03 2.090693449622e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11321603134 LenY= 11320103734 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. PT13655.300S 2025-01-27T16:25:07.000 -19.17247 -19.11738 -19.11545 -10.30544 -10.26430 -10.24094 -10.20681 -10.19697 -10.18966 -10.18426 -10.18185 -10.17634 -10.17495 -10.17473 -10.17194 -10.16920 -10.15951 -10.15882 -10.15705 -10.15573 -10.15516 -10.15379 -1.10908 -1.04606 -1.02309 -0.88289 -0.86923 -0.80594 -0.80040 -0.76118 -0.74571 -0.73158 -0.70710 -0.68951 -0.68715 -0.67795 -0.67051 -0.62966 -0.58286 -0.57253 -0.55374 -0.55089 -0.52459 -0.52253 -0.50194 -0.49301 -0.48363 -0.46879 -0.46027 -0.45786 -0.45076 -0.44388 -0.43418 -0.42852 -0.42622 -0.42193 -0.41815 -0.40967 -0.40749 -0.40194 -0.39712 -0.39611 -0.39374 -0.38379 -0.37998 -0.37749 -0.37461 -0.36654 -0.36534 -0.36237 -0.35666 -0.35092 -0.34524 -0.33283 -0.31831 -0.31458 -0.30104 -0.28969 -0.28097 -0.25829 -0.23463 -0.23383 -0.06198 -0.01838 -0.01507 0.00289 0.01155 0.01329 0.01662 0.02020 0.02468 0.02956 0.03452 0.03921 0.04230 0.04422 0.04700 0.05029 0.05430 0.05512 0.05994 0.05997 0.06408 0.06728 0.07009 0.07140 0.07444 0.07839 0.07997 0.08675 0.08835 0.08978 0.09202 0.09626 0.09936 0.10306 0.10440 0.10828 0.10961 0.11282 0.12030 0.12139 0.12631 0.12784 0.13361 0.13396 0.13767 0.14116 0.14460 0.14637 0.14741 0.15119 0.15616 0.15965 0.16164 0.16510 0.16679 0.16955 0.17037 0.17515 0.17838 0.18160 0.18405 0.18645 0.18822 0.19179 0.19290 0.19495 0.19665 0.20187 0.20289 0.20552 0.20755 0.20960 0.21206 0.21435 0.21666 0.21889 0.22105 0.22441 0.22525 0.22901 0.22937 0.23249 0.23454 0.23618 0.23787 0.24214 0.24371 0.24798 0.25089 0.25309 0.25696 0.25964 0.26141 0.26269 0.26473 0.26539 0.26849 0.27423 0.27775 0.27789 0.27939 0.28575 0.28877 0.29062 0.29378 0.29724 0.29905 0.30161 0.30705 0.30980 0.31217 0.31413 0.31622 0.31725 0.32096 0.32707 0.32976 0.33401 0.33812 0.34019 0.34309 0.34454 0.34746 0.35363 0.35604 0.35825 0.36336 0.36646 0.36946 0.37513 0.37870 0.38030 0.38265 0.38815 0.39265 0.39420 0.39678 0.40120 0.40463 0.40993 0.41299 0.41443 0.42019 0.42097 0.42503 0.42744 0.43148 0.43601 0.43668 0.43800 0.44685 0.44708 0.45213 0.45555 0.45847 0.45934 0.46265 0.46509 0.46956 0.47268 0.47850 0.48103 0.48426 0.48743 0.49040 0.49705 0.50697 0.50936 0.51213 0.51692 0.52542 0.52671 0.52862 0.53578 0.54032 0.54196 0.54702 0.55101 0.55457 0.55789 0.56418 0.56566 0.56962 0.57170 0.57264 0.57814 0.57906 0.58497 0.58517 0.58706 0.58973 0.59416 0.59877 0.60292 0.60399 0.60517 0.60781 0.61112 0.61763 0.61794 0.62059 0.62153 0.62563 0.62999 0.63301 0.63756 0.64033 0.64658 0.64873 0.65177 0.65435 0.65865 0.65963 0.66514 0.66836 0.66906 0.67258 0.67555 0.67889 0.68385 0.68559 0.69473 0.69784 0.70050 0.70449 0.70971 0.71052 0.71583 0.71801 0.72042 0.72322 0.72548 0.73462 0.73695 0.73953 0.74435 0.74774 0.75546 0.75985 0.76415 0.77170 0.77703 0.77898 0.78258 0.78547 0.78974 0.79769 0.80429 0.81169 0.81580 0.81871 0.82293 0.83083 0.83173 0.84778 0.85360 0.85629 0.86164 0.86553 0.86720 0.87350 0.87521 0.88018 0.88038 0.88462 0.89319 0.90219 0.90619 0.90896 0.91529 0.92078 0.92389 0.92708 0.92948 0.93955 0.94741 0.95277 0.95812 0.96698 0.97291 0.97371 0.98742 0.98932 0.99210 0.99981 1.00321 1.01016 1.01134 1.01993 1.02327 1.03019 1.03153 1.03765 1.04286 1.04751 1.05282 1.05602 1.06052 1.06875 1.07041 1.07671 1.07887 1.08458 1.09719 1.09977 1.10425 1.10879 1.10934 1.11452 1.11529 1.11987 1.12257 1.12415 1.12880 1.12980 1.13754 1.14193 1.14887 1.15266 1.15584 1.16199 1.16848 1.17073 1.17322 1.17714 1.17764 1.18696 1.18860 1.19341 1.19739 1.20032 1.20150 1.20994 1.21674 1.22505 1.22713 1.22875 1.23371 1.23848 1.23976 1.24505 1.25082 1.25343 1.26230 1.26736 1.27126 1.27324 1.27922 1.28108 1.28366 1.29062 1.29361 1.30061 1.30101 1.30516 1.30937 1.31181 1.31490 1.32155 1.32800 1.32884 1.33312 1.33667 1.34035 1.34497 1.35808 1.36002 1.36054 1.36464 1.37187 1.37722 1.38632 1.38925 1.39443 1.39680 1.40015 1.40299 1.40775 1.41085 1.41675 1.41694 1.42606 1.43254 1.43485 1.44015 1.44566 1.44901 1.45491 1.45696 1.46446 1.46732 1.47841 1.48019 1.48328 1.48795 1.49150 1.50244 1.50844 1.51026 1.51426 1.51887 1.52245 1.52653 1.52791 1.53049 1.54429 1.54516 1.54917 1.55336 1.56002 1.56615 1.57191 1.57605 1.58570 1.59498 1.60411 1.60679 1.61386 1.61633 1.62136 1.63259 1.63473 1.64391 1.65170 1.65326 1.66244 1.66786 1.67822 1.68400 1.68685 1.69479 1.70331 1.70895 1.71462 1.72059 1.72908 1.73837 1.74900 1.75995 1.76231 1.77069 1.77596 1.79333 1.80734 1.81552 1.82013 1.83109 1.83779 1.84770 1.85463 1.86042 1.86506 1.86589 1.87130 1.87904 1.88726 1.89991 1.90421 1.91089 1.91571 1.93079 1.93548 1.95503 1.95793 1.96141 1.97528 1.98184 1.99349 2.00159 2.00535 2.01236 2.01728 2.02485 2.03883 2.04632 2.05447 2.07117 2.07869 2.08160 2.08664 2.09364 2.10157 2.10643 2.11324 2.12072 2.12983 2.13303 2.14448 2.15121 2.15743 2.16435 2.17073 2.18409 2.19365 2.19753 2.20277 2.21225 2.22101 2.22451 2.23393 2.24966 2.26201 2.26655 2.27189 2.28410 2.29279 2.30298 2.30525 2.31438 2.32113 2.33238 2.34171 2.35623 2.36503 2.37501 2.38497 2.41181 2.41870 2.43193 2.45171 2.45876 2.47751 2.48392 2.49105 2.50523 2.52428 2.54477 2.55670 2.56785 2.61100 2.61493 2.62861 2.64618 2.65801 2.67747 2.68880 2.70060 2.70524 2.70954 2.72581 2.72770 2.74354 2.77282 2.78331 2.78516 2.79487 2.80163 2.80858 2.81463 2.81880 2.82169 2.83822 2.84335 2.85497 2.87239 2.87520 2.87736 2.88415 2.88983 2.89959 2.90960 2.91553 2.92815 2.92851 2.93470 2.94140 2.95101 2.95319 2.95511 2.95920 2.96595 2.97164 2.97804 2.98356 2.98613 2.99016 3.00193 3.01185 3.01667 3.02295 3.02541 3.03026 3.03740 3.04126 3.04638 3.05611 3.06298 3.06868 3.07280 3.08194 3.08921 3.09744 3.10027 3.11070 3.11556 3.12361 3.13027 3.13933 3.14377 3.15114 3.16229 3.17093 3.17730 3.18560 3.18934 3.19314 3.20407 3.20688 3.21145 3.22324 3.22753 3.23247 3.24021 3.24415 3.25325 3.25585 3.25793 3.26311 3.27350 3.27382 3.28225 3.28687 3.28927 3.29609 3.29985 3.30398 3.30854 3.32332 3.32964 3.33357 3.33721 3.35269 3.35664 3.35685 3.36806 3.37477 3.37966 3.38292 3.38865 3.40114 3.40363 3.40531 3.42043 3.43570 3.44080 3.44840 3.45481 3.46812 3.47389 3.48543 3.51086 3.51342 3.51948 3.52766 3.54100 3.54989 3.55702 3.56493 3.57587 3.58790 3.59375 3.59442 3.60088 3.60668 3.62550 3.63082 3.64287 3.64474 3.65350 3.66768 3.67811 3.68373 3.69377 3.70053 3.71070 3.72549 3.72897 3.73541 3.73738 3.74265 3.75022 3.76851 3.77615 3.77707 3.79702 3.80064 3.81759 3.83122 3.83930 3.84477 3.85768 3.85987 3.88473 3.89108 3.90418 3.91606 3.91674 3.91978 3.93321 3.95245 3.96605 3.96886 3.97711 3.98601 3.99968 4.00794 4.01809 4.02979 4.03645 4.06229 4.06745 4.07606 4.08318 4.09778 4.12075 4.12548 4.12732 4.13471 4.15819 4.16197 4.17449 4.18923 4.20095 4.21556 4.23715 4.23901 4.25037 4.26752 4.27806 4.28342 4.30568 4.30648 4.31306 4.32231 4.32698 4.33731 4.34345 4.34615 4.34688 4.35516 4.35814 4.36171 4.36443 4.37308 4.38057 4.38758 4.39043 4.39334 4.40105 4.40870 4.41525 4.41688 4.42634 4.43165 4.43471 4.43878 4.44656 4.45808 4.46724 4.47986 4.48920 4.49629 4.49770 4.50308 4.52801 4.53730 4.54400 4.55034 4.55364 4.55696 4.55799 4.56960 4.58279 4.58579 4.58921 4.59883 4.60491 4.61056 4.63147 4.63359 4.64731 4.65581 4.65672 4.66674 4.68211 4.69701 4.69990 4.70402 4.71229 4.73073 4.74903 4.76127 4.76800 4.77542 4.78356 4.79393 4.80033 4.81683 4.83737 4.84700 4.86512 4.89114 4.90285 4.93505 4.94666 4.96265 4.98633 5.01017 5.01711 5.08926 5.10849 5.11901 5.12385 5.14060 5.18489 5.21597 5.24522 5.29761 5.32258 5.34381 5.34968 5.36945 5.39658 5.43077 5.44864 5.48334 5.49854 5.53807 5.55123 5.55625 5.56262 5.57024 5.59499 5.60032 5.60884 5.61832 5.63041 5.66121 5.69425 5.72393 5.73104 5.74555 5.75456 5.75889 5.76365 5.76580 5.77297 5.78823 5.78888 5.79682 5.81178 5.82188 5.82854 5.83512 5.85260 5.85804 5.86471 5.86780 5.90399 5.93368 5.97243 6.00555 6.02399 6.06302 6.09628 6.16782 6.22644 6.30960 6.35251 6.44413 6.60152 6.62890 6.75198 6.95164 7.09205 7.10667 7.11809 7.15605 7.15895 7.16711 7.20468 7.20642 7.22618 7.24908 7.26321 7.27140 7.28679 7.29145 7.29790 7.30370 7.30960 7.31601 7.34464 7.34994 7.36935 7.37079 7.38038 7.39565 7.41177 7.42932 7.44674 7.45902 7.46496 7.47160 7.47327 7.49029 7.49936 7.51037 7.57646 7.58039 7.59546 7.59907 7.62301 7.63271 7.65682 7.67232 7.71170 7.72544 7.73027 7.74790 7.75923 7.76295 7.78075 7.78257 7.80667 7.81750 7.83960 7.86384 7.87083 7.89683 7.92706 7.94043 7.94401 7.96746 8.00453 8.02596 8.04753 8.05042 8.06488 8.07531 8.08051 8.08091 8.08724 8.11101 8.11901 8.13483 8.13745 8.14627 8.15864 8.17607 8.21566 8.25091 8.28014 8.30987 8.33225 8.40178 8.41875 8.45090 8.46077 8.50401 8.58171 8.60629 8.61325 8.65955 8.70400 8.74792 8.76622 8.80271 9.05615 9.32143 14.40178 14.44719 14.45856 14.46993 14.47343 14.49258 14.60537 14.67203 14.69896 14.80852 14.82112 14.99087 15.04579 15.08963 15.24437 24.19657 24.20824 24.33099 24.35196 24.45027 24.45215 24.45603 24.53388 24.54109 24.54150 24.58525 24.66255 24.70254 24.77870 25.08510 25.17010 25.57775 25.73592 25.75282 50.26524 50.42650 50.50685 1-A. Mulliken charges: 1 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 O O O C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H -0.477784 -0.770940 -0.874885 0.481136 -0.026062 -0.125455 -0.438486 -0.477055 -0.752461 0.292721 0.533907 0.516930 -0.634702 -0.556363 -0.197189 0.354393 0.290773 -0.089283 -0.458442 -0.177985 -0.102184 -0.566177 0.152518 0.127837 0.151294 0.166641 0.156741 0.163245 0.151771 0.148510 0.140939 0.161927 0.166416 0.140020 0.165300 0.171318 0.222366 0.164577 0.223981 0.173767 0.156287 0.176781 0.186029 0.141133 0.166986 0.168441 0.167133 0.143634 -0.00000 2.1091 -3.1927 -4.6940 6.0560 -129.0618 -130.1648 -140.7209 14.2411 6.2554 -0.9120 4.2540 3.1510 -7.4051 14.2411 6.2554 -0.9120 -2.7330 -14.3103 -8.4784 28.5681 -40.3259 -74.2575 -1.2988 -6.3686 -15.2184 19.4386 -10565.8840 -2326.1909 -1048.7536 11.0419 241.1057 89.6676 -14.3878 -0.5059 7.1252 -2219.3593 -2048.6854 -581.7169 -64.6872 52.0480 52.0510 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-GALAPAGAR APULGAR 2025-01-27T00:00:00.000 0 Single Point Allethrin_RR CONF43octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-965.718887 RMSD=1.150e-09 Dipole=0.7277791,1.8084452,1.3699264 Quadrupole=4.596352,-0.2315051,-4.364847,-11.3093767,-1.0946727,-2.8067613 PG=C01[X(C19H26O3)] 0 -0.1400647293 0.6821094653 -0.2059933643 0 1.1008465478 0.3805955962 -2.0660324845 0 -3.5951734282 -2.3570645096 -0.8194292881 0 3.3313760693 1.8020412623 -0.3144992331 0 3.5555719421 0.3215596833 -0.346824428 0 2.168396582 0.8548822546 0.0375485815 0 3.872291284 2.6081416346 0.851747811 0 3.3099278092 2.5707283482 -1.620884381 0 4.3850736052 -0.4052592894 0.6570019975 0 1.0375476187 0.6185858176 -0.8731716778 0 4.1856655091 -1.6741660973 1.0410504771 0 -1.3499930992 0.4330356328 -0.9750281665 0 5.0923806404 -2.3509258668 2.0347463245 0 3.0549344437 -2.5253644173 0.52677589 0 -1.5972869939 -1.0486164913 -1.2419101088 0 -2.5174683455 0.8912780828 -0.1372980094 0 -3.4573658655 -0.0812402489 0.0096396613 0 -2.9870826078 -1.3047154768 -0.686514479 0 -2.5255508813 2.2844599363 0.3836672204 0 -4.7245196121 0.0555672848 0.7192769262 0 -5.6443600272 -0.9031115088 0.9122900106 0 -6.9253013255 -0.6938945015 1.6560584522 0 3.559882472 -0.1014040408 -1.3487326313 0 1.9064605889 0.818658443 1.087315463 0 3.2930598442 3.5284494255 0.9767195389 0 3.8353894377 2.0551548833 1.7927064422 0 4.9140775445 2.8906695977 0.6654804452 0 2.9391031154 1.9690489675 -2.4505873995 0 2.6804544649 3.4628160534 -1.5353737727 0 4.325098079 2.900341979 -1.8662094191 0 5.2245878698 0.1410256977 1.0814471131 0 -1.2879015562 1.0162675411 -1.8971508563 0 5.5521200038 -3.2443032794 1.5947532372 0 5.8908633669 -1.6898625943 2.3805311369 0 4.5239977421 -2.691828935 2.9087523038 0 2.4374323522 -2.8821805262 1.3600538598 0 2.4072256656 -1.9999803723 -0.1761923625 0 3.4474932807 -3.4192121594 0.026930286 0 -0.8775827772 -1.6698525453 -0.7015981273 0 -1.5502996797 -1.3203347897 -2.2974879129 0 -3.4621886437 2.5534496415 0.8709062529 0 -2.3375424304 2.9903728766 -0.433328465 0 -1.7096708458 2.4171063927 1.1028366062 0 -4.9248452273 1.0417962647 1.1323264503 0 -5.4716852085 -1.897827645 0.5159679137 0 -7.7866399881 -0.9169998094 1.0147943147 0 -6.9931775053 -1.3775995724 2.5109403676 0 -7.0255595477 0.3306881768 2.0247665003