Gaussian 16 GINC-HAMILTON26 APULGAR Optimization Bioallethrin CONF147 octanol EM64L-G16RevC.01 9-Oct-2024 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:-.4453,-.0128,.8134;.5593,-1.7791,-.133;-4.9512,.758,1.4896;2.9584,-.7419,1.6478;3.1825,-.3886,.2083;1.8624,-.0362,.8661;3.621,.0755,2.7306;2.8235,-2.1994,2.0139;4.0807,.7029,-.2196;.6258,-.724,.4513;5.0242,.6333,-1.165;-1.7572,-.4921,.5065;5.3521,-.5955,-1.958;5.8494,1.8362,-1.5135;-2.716,-.1754,1.6449;-2.3191,.2351,-.6903;-3.523,.7672,-.4278;-3.8894,.4926,.967;-1.5924,.244,-1.9819;-4.4382,1.4767,-1.365;-5.3194,.5712,-2.1764;-5.2816,-.7552,-2.2027;3.1239,-1.2385,-.4632;1.7233,1.0065,1.1305;4.6525,-.2507,2.8796;3.6398,1.142,2.5092;3.0953,-.0517,3.679;2.1627,-2.3293,2.8738;2.4432,-2.8147,1.2014;3.8017,-2.5975,2.2914;3.9446,1.6557,.2842;-1.7234,-1.5647,.3026;5.1358,-.4409,-3.0187;4.8138,-1.4853,-1.637;6.4203,-.8175,-1.8929;5.5692,2.7137,-.9304;5.7455,2.09,-2.5721;6.9132,1.6467,-1.3464;-2.2713,.5252,2.3564;-3.0297,-1.0561,2.2056;-.611,.7134,-1.8806;-1.4178,-.7777,-2.3269;-2.1393,.7743,-2.759;-3.8661,2.1091,-2.0508;-5.0741,2.1683,-.8044;-6.0433,1.087,-2.8002;-5.9588,-1.3152,-2.8352;-4.585,-1.335,-1.6087; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/apulgar/opt-b3lyp-pople.com-6500947/Gau-388430.inp" -scrdir="/temporal/apulgar/opt-b3lyp-pople.com-6500947/" 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 Bioallethrin CONF147 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 20 21 21 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 45 22 46 47 48 1.3357 1.43 1.2079 1.2128 1.499 1.5199 1.5098 1.5089 1.5164 1.4769 1.0848 1.4745 1.0847 1.0921 1.0894 1.0918 1.0922 1.0878 1.0919 1.3375 1.0864 1.4987 1.4998 1.5217 1.5089 1.0923 1.0935 1.0884 1.093 1.0901 1.0936 1.0934 1.5109 1.093 1.0902 1.3421 1.4821 1.468 1.4897 1.0926 1.0924 1.0881 1.5016 1.0943 1.0941 1.3272 1.086 1.0826 1.0837 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 17 21 21 44 20 20 22 21 21 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 20 20 20 21 21 21 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 45 44 45 45 22 46 46 47 48 48 119.9378 119.7003 118.2953 115.7227 120.5836 112.8389 122.9115 113.6854 118.9096 113.7986 115.6269 122.1965 114.4137 119.9802 116.1514 114.1719 110.5324 113.0634 110.4037 107.6922 107.5409 107.3909 111.0989 113.3536 109.497 108.0157 107.3673 107.2665 126.5406 115.951 117.505 123.5066 110.3583 126.1351 124.8181 120.7048 114.4766 110.3482 110.5072 109.923 104.9776 111.3152 109.6764 110.7371 113.9597 110.4195 107.6883 106.2449 107.4363 112.3252 111.0224 111.1452 107.8545 107.9349 106.2957 104.221 111.3504 113.4469 108.9452 111.3724 107.4667 111.7129 120.7662 127.438 109.6081 128.0833 122.2384 125.6862 125.944 108.3696 111.2362 110.3592 112.2602 106.7096 107.9612 108.0958 114.4132 110.3868 109.6251 108.4541 108.4783 105.0467 126.6314 114.5315 118.8345 120.7114 122.8321 116.4562 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 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 16 18 18 18 17 17 44 44 45 45 20 20 46 46 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 17 17 20 20 20 20 20 20 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 20 20 21 21 21 21 21 21 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 45 21 44 45 22 46 22 46 22 46 47 48 47 48 -0.1938 179.795 142.5815 -101.7599 19.4342 2.7311 150.563 -141.8114 6.0205 -140.8299 3.9759 0.9072 145.713 -81.9771 38.832 159.1619 -150.9788 -30.1698 90.1601 64.3646 -174.8264 -54.4965 -148.9611 -27.1122 92.6132 -78.5612 43.2877 163.0131 64.1837 -173.9674 -54.242 134.5252 -9.5604 -7.0615 -151.1471 131.6782 -49.0172 -156.4984 22.8063 -15.587 163.7176 129.1291 -50.8824 -160.5045 19.4839 -15.7536 164.2349 -0.859 178.8689 179.8459 -0.4262 116.0054 -5.5801 -126.5991 -63.7375 174.677 53.6579 -0.8667 -121.7235 120.1807 178.8879 58.031 -60.0647 129.2631 11.9617 -109.4248 10.1851 -107.1163 131.4972 -108.4043 134.2943 12.9078 -126.5648 56.5103 -7.5935 175.4816 112.0948 -64.8301 170.3521 -9.7891 -70.6956 109.1632 47.6707 -132.4705 1.4155 -175.5548 178.0874 1.1171 -61.1588 57.0851 177.7406 122.4399 -119.3162 1.3393 -174.6499 5.4918 2.531 -177.3274 84.1241 -38.5281 -153.777 -92.5014 144.8464 29.5975 -5.3557 175.2371 118.3389 -61.0683 -128.0784 52.5144 -179.3052 0.4984 0.0791 179.8828 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 1777.9106913420 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= 1.44D-06 NBF= 640 NBsUse= 639 1.00D-06 EigRej= 5.82D-07 NBFU= 639 Berny optimization. local minimum Step number 19 out of a maximum of 261 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00131 0.00171 0.00259 0.00639 0.00650 0.00752 0.00763 0.00819 0.00982 0.01062 0.01104 0.01297 0.01406 0.01408 0.01713 0.01722 0.01840 0.02038 0.02127 0.02406 0.02505 0.02873 0.02883 0.03046 0.03055 0.03153 0.04009 0.04576 0.04631 0.04716 0.04869 0.05476 0.05564 0.05634 0.05711 0.05863 0.05928 0.06422 0.06560 0.06872 0.07056 0.07212 0.07330 0.07448 0.07510 0.07802 0.08382 0.09684 0.09865 0.10160 0.10498 0.12723 0.13555 0.15134 0.15726 0.15886 0.15970 0.15998 0.15999 0.16000 0.16000 0.16000 0.16001 0.16001 0.16006 0.16008 0.16015 0.16024 0.16039 0.16042 0.16114 0.16188 0.16379 0.16465 0.18374 0.18772 0.21713 0.21952 0.22252 0.22965 0.23463 0.24276 0.24620 0.24917 0.24988 0.25152 0.25262 0.26184 0.27501 0.28390 0.29359 0.30262 0.30698 0.31181 0.31440 0.31634 0.32413 0.32861 0.33152 0.33351 0.33640 0.34319 0.34349 0.34361 0.34411 0.34419 0.34455 0.34476 0.34499 0.34549 0.34561 0.34579 0.34591 0.34638 0.34681 0.34745 0.34808 0.34827 0.34929 0.35050 0.35082 0.35156 0.35236 0.35264 0.35353 0.35470 0.35498 0.35593 0.35672 0.37565 0.39385 0.41640 0.54498 0.55839 0.59829 0.61504 0.96882 0.99766 -3.26170613e-09 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 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 D113 D114 2.56365 2.75014 2.29957 2.31357 2.85061 2.90177 2.86830 2.86593 2.90565 2.79510 2.04803 2.78471 2.04643 2.06968 2.06168 2.06867 2.06999 2.05918 2.06937 2.53789 2.05419 2.84660 2.84966 2.88534 2.86382 2.06153 2.07258 2.06019 2.07269 2.06505 2.07319 2.07308 2.86942 2.06570 2.06244 2.55126 2.80931 2.78100 2.83039 2.06997 2.07026 2.06020 2.85600 2.07224 2.07093 2.51595 2.05716 2.05084 2.05183 2.07511 2.09693 2.06006 2.01808 2.09326 1.97251 2.15972 1.97434 2.08119 1.95889 2.02595 2.13537 2.00794 2.07837 2.03712 1.99036 1.92111 1.97101 1.92011 1.88498 1.88232 1.88167 1.93114 1.96403 1.90861 1.88898 1.88086 1.88790 2.21430 2.01906 2.04982 2.14874 1.92676 2.20767 2.18289 2.10737 1.99293 1.91688 1.92606 1.89158 1.83764 1.96524 1.92643 1.92322 1.98691 1.92349 1.88437 1.85702 1.88371 1.95842 1.93253 1.93308 1.88938 1.88903 1.85780 1.81878 1.93687 1.98491 1.90259 1.93309 1.88627 1.94781 2.10274 2.23206 1.91369 2.23820 2.13079 2.18529 2.20176 1.89613 1.92856 1.91771 1.95824 1.85974 1.89930 1.89737 2.00949 1.92118 1.89832 1.89156 1.88955 1.84660 2.21124 1.99278 2.07915 2.11100 2.13392 2.03826 -0.01776 3.11876 2.54785 -1.71699 0.39435 0.05192 2.65807 -2.48282 0.12334 -2.47008 0.07661 -0.00996 2.53674 -1.44956 0.65855 2.76171 -2.66317 -0.55506 1.54811 1.11334 -3.06173 -0.95856 -2.63874 -0.52315 1.57532 -1.40823 0.70736 2.80583 1.06832 -3.09927 -1.00080 2.32519 -0.17590 -0.12945 -2.63054 2.52362 -0.62294 -2.49761 0.63902 -0.06829 3.06834 2.33050 -0.81638 -2.73895 0.39736 -0.22160 2.91470 -0.00169 3.14103 -3.13825 0.00447 2.13367 0.01386 -2.10530 -1.00898 -3.12880 1.03523 0.00267 -2.11056 2.11583 -3.13791 1.03205 -1.02475 2.20688 0.16155 -1.96957 0.13327 -1.91207 2.24000 -1.96664 2.27121 0.14009 -2.17098 1.00429 -0.10351 3.07175 2.02179 -1.08614 3.01836 -0.12448 -1.19590 1.94445 0.87730 -2.26554 0.02492 -3.08282 3.12975 0.02200 -1.00609 1.04117 -3.12909 2.17517 -2.06076 0.05217 -3.07730 0.06555 0.03291 -3.10742 1.42552 -0.71842 -2.73414 -1.67845 2.46080 0.44508 -0.08336 3.06427 2.07631 -1.05925 -2.21163 0.93600 -3.13783 0.00697 -0.00255 -3.14093 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -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 -0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00002 0.00001 0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00003 -0.00001 -0.00001 0.00001 0.00002 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 0.00001 0.00001 -0.00002 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 -0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00004 0.00001 -0.00001 -0.00002 -0.00002 0.00001 -0.00001 -0.00001 0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00002 -0.00002 0.00001 -0.00000 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00002 0.00014 0.00015 0.00016 -0.00001 -0.00001 0.00002 0.00002 -0.00001 -0.00002 0.00002 0.00001 -0.00006 -0.00006 -0.00006 -0.00006 -0.00005 -0.00006 -0.00010 -0.00009 -0.00010 -0.00012 -0.00012 -0.00012 -0.00011 -0.00012 -0.00011 -0.00008 -0.00008 -0.00008 -0.00002 -0.00000 -0.00002 -0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00001 -0.00001 -0.00005 -0.00004 -0.00004 -0.00003 -0.00004 -0.00003 -0.00004 -0.00002 -0.00003 -0.00000 -0.00004 -0.00005 -0.00003 -0.00006 -0.00007 -0.00005 -0.00009 -0.00009 -0.00009 -0.00007 -0.00007 -0.00007 0.00009 0.00011 0.00011 0.00005 0.00007 0.00007 0.00009 0.00011 0.00011 -0.00004 -0.00004 -0.00004 -0.00003 -0.00007 -0.00006 -0.00003 -0.00006 -0.00005 -0.00008 -0.00005 -0.00007 0.00000 0.00002 -0.00000 0.00002 -0.00010 -0.00011 -0.00010 -0.00010 -0.00010 -0.00009 0.00001 0.00003 -0.00001 0.00001 0.00022 0.00023 0.00022 0.00025 0.00025 0.00024 -0.00015 -0.00014 -0.00015 -0.00014 -0.00015 -0.00013 0.00001 0.00002 0.00000 0.00001 -0.00003 -0.00001 -0.00000 0.00000 0.00001 -0.00002 -0.00002 0.00001 0.00001 -0.00000 -0.00001 -0.00001 0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00001 -0.00001 0.00000 -0.00001 -0.00000 -0.00002 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00004 0.00005 -0.00003 0.00000 -0.00003 0.00000 0.00001 -0.00001 -0.00001 -0.00000 0.00001 0.00000 -0.00002 0.00003 -0.00002 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00001 -0.00004 0.00002 0.00002 0.00001 0.00000 -0.00001 -0.00000 -0.00001 -0.00000 0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00002 -0.00002 0.00002 -0.00002 0.00000 -0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00000 -0.00001 -0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00001 0.00006 0.00001 -0.00009 -0.00009 -0.00010 -0.00001 0.00002 -0.00004 -0.00001 0.00010 0.00008 0.00006 0.00004 -0.00012 -0.00012 -0.00012 -0.00014 -0.00014 -0.00014 -0.00010 -0.00010 -0.00010 -0.00016 -0.00015 -0.00016 -0.00018 -0.00017 -0.00017 -0.00021 -0.00020 -0.00021 -0.00001 -0.00003 -0.00000 -0.00002 0.00010 0.00008 0.00008 0.00007 0.00007 0.00006 -0.00010 -0.00016 -0.00008 -0.00014 -0.00007 -0.00013 -0.00001 -0.00001 0.00001 0.00001 0.00006 0.00006 0.00006 0.00006 0.00006 0.00006 0.00005 0.00005 0.00005 0.00005 0.00005 0.00005 -0.00010 -0.00013 -0.00014 -0.00009 -0.00012 -0.00013 -0.00010 -0.00013 -0.00013 0.00006 0.00004 0.00006 0.00003 0.00007 0.00005 0.00006 0.00009 0.00009 0.00012 0.00010 0.00013 0.00000 -0.00001 0.00003 0.00001 0.00003 0.00003 0.00003 0.00000 -0.00000 0.00000 -0.00003 -0.00006 -0.00001 -0.00005 0.00001 0.00002 0.00001 -0.00000 0.00000 -0.00001 0.00002 0.00002 0.00002 0.00002 0.00003 0.00003 0.00000 -0.00000 0.00000 -0.00000 -0.00003 -0.00003 0.00001 0.00000 0.00001 -0.00002 -0.00001 0.00001 0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00002 -0.00000 -0.00000 -0.00001 0.00000 -0.00001 -0.00000 0.00000 -0.00001 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00004 -0.00004 0.00001 -0.00001 -0.00000 0.00001 -0.00001 -0.00002 -0.00000 0.00001 0.00002 -0.00002 0.00004 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00000 0.00001 -0.00000 -0.00003 0.00002 0.00001 -0.00001 0.00000 0.00000 -0.00001 0.00003 0.00001 -0.00000 -0.00000 -0.00002 0.00001 -0.00001 -0.00002 0.00001 0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00001 0.00000 0.00002 -0.00002 -0.00000 -0.00001 0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00001 -0.00002 0.00001 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00001 0.00007 0.00002 0.00005 0.00006 0.00006 -0.00002 0.00001 -0.00002 0.00001 0.00009 0.00005 0.00008 0.00005 -0.00018 -0.00018 -0.00018 -0.00020 -0.00019 -0.00020 -0.00019 -0.00019 -0.00019 -0.00028 -0.00027 -0.00027 -0.00029 -0.00029 -0.00029 -0.00029 -0.00029 -0.00029 -0.00003 -0.00003 -0.00002 -0.00003 0.00010 0.00008 0.00009 0.00006 0.00008 0.00005 -0.00015 -0.00020 -0.00012 -0.00016 -0.00011 -0.00016 -0.00005 -0.00003 -0.00002 0.00000 0.00003 0.00001 0.00003 0.00001 -0.00001 0.00001 -0.00004 -0.00004 -0.00004 -0.00002 -0.00002 -0.00002 -0.00001 -0.00002 -0.00003 -0.00003 -0.00005 -0.00005 -0.00001 -0.00003 -0.00003 0.00002 -0.00000 0.00002 -0.00000 0.00000 -0.00002 0.00002 0.00004 0.00004 0.00005 0.00005 0.00006 0.00001 0.00001 0.00003 0.00003 -0.00007 -0.00008 -0.00006 -0.00010 -0.00011 -0.00009 -0.00001 -0.00003 -0.00002 -0.00003 0.00024 0.00024 0.00023 0.00024 0.00025 0.00024 -0.00013 -0.00012 -0.00013 -0.00012 -0.00012 -0.00011 0.00002 0.00002 0.00001 0.00001 2.56362 2.75011 2.29957 2.31357 2.85061 2.90175 2.86829 2.86594 2.90565 2.79509 2.04802 2.78470 2.04644 2.06967 2.06167 2.06867 2.06999 2.05918 2.06937 2.53789 2.05419 2.84660 2.84965 2.88535 2.86382 2.06154 2.07257 2.06018 2.07269 2.06505 2.07318 2.07308 2.86941 2.06570 2.06244 2.55125 2.80931 2.78099 2.83038 2.06997 2.07026 2.06020 2.85601 2.07224 2.07092 2.51595 2.05716 2.05084 2.05182 2.07510 2.09697 2.06002 2.01809 2.09325 1.97251 2.15973 1.97433 2.08117 1.95889 2.02596 2.13539 2.00793 2.07841 2.03710 1.99035 1.92111 1.97100 1.92011 1.88499 1.88233 1.88167 1.93114 1.96403 1.90860 1.88898 1.88087 1.88791 2.21430 2.01907 2.04981 2.14871 1.92678 2.20768 2.18288 2.10737 1.99294 1.91686 1.92608 1.89158 1.83764 1.96524 1.92641 1.92324 1.98690 1.92347 1.88438 1.85702 1.88372 1.95841 1.93253 1.93308 1.88938 1.88903 1.85780 1.81878 1.93688 1.98489 1.90260 1.93308 1.88628 1.94780 2.10274 2.23207 1.91370 2.23821 2.13077 2.18529 2.20176 1.89614 1.92855 1.91771 1.95824 1.85974 1.89930 1.89738 2.00948 1.92119 1.89832 1.89156 1.88956 1.84661 2.21123 1.99278 2.07916 2.11100 2.13391 2.03827 -0.01770 3.11878 2.54790 -1.71693 0.39441 0.05189 2.65808 -2.48284 0.12335 -2.47000 0.07667 -0.00988 2.53679 -1.44974 0.65837 2.76153 -2.66337 -0.55525 1.54791 1.11315 -3.06192 -0.95876 -2.63902 -0.52343 1.57505 -1.40852 0.70707 2.80554 1.06803 -3.09956 -1.00109 2.32517 -0.17593 -0.12947 -2.63057 2.52372 -0.62286 -2.49752 0.63908 -0.06821 3.06839 2.33035 -0.81658 -2.73907 0.39719 -0.22172 2.91454 -0.00174 3.14100 -3.13827 0.00448 2.13370 0.01386 -2.10528 -1.00898 -3.12881 1.03523 0.00263 -2.11059 2.11580 -3.13793 1.03203 -1.02477 2.20687 0.16152 -1.96959 0.13323 -1.91212 2.23995 -1.96665 2.27118 0.14006 -2.17096 1.00429 -0.10349 3.07175 2.02179 -1.08615 3.01839 -0.12444 -1.19586 1.94449 0.87735 -2.26548 0.02493 -3.08281 3.12978 0.02204 -1.00616 1.04108 -3.12916 2.17508 -2.06086 0.05208 -3.07732 0.06553 0.03289 -3.10745 1.42575 -0.71818 -2.73391 -1.67821 2.46105 0.44532 -0.08350 3.06415 2.07617 -1.05937 -2.21175 0.93589 -3.13782 0.00700 -0.00254 -3.14092 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000011 0.000002 0.000932 0.000184 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -4.840526e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 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 20 21 21 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 45 22 46 47 48 1.3566 1.4553 1.2169 1.2243 1.5085 1.5355 1.5178 1.5166 1.5376 1.4791 1.0838 1.4736 1.0829 1.0952 1.091 1.0947 1.0954 1.0897 1.0951 1.343 1.087 1.5064 1.508 1.5269 1.5155 1.0909 1.0968 1.0902 1.0968 1.0928 1.0971 1.097 1.5184 1.0931 1.0914 1.3501 1.4866 1.4716 1.4978 1.0954 1.0955 1.0902 1.5113 1.0966 1.0959 1.3314 1.0886 1.0853 1.0858 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 17 21 21 44 20 20 22 21 21 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 20 20 20 21 21 21 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 45 44 45 45 22 46 46 47 48 48 118.8949 120.1452 118.0325 115.6277 119.9347 113.0164 123.7426 113.1212 119.2433 112.2363 116.0784 122.348 115.0468 119.0818 116.7181 114.0393 110.0718 112.9303 110.0142 108.0016 107.8492 107.8116 110.6461 112.5307 109.3552 108.2303 107.7656 108.1686 126.87 115.6836 117.4458 123.1137 110.3954 126.4902 125.0701 120.7432 114.1866 109.8289 110.3549 108.3795 105.289 112.6 110.3761 110.1926 113.8416 110.2078 107.9662 106.3995 107.9289 112.2092 110.726 110.7572 108.2535 108.2334 106.4443 104.2083 110.9745 113.7268 109.0105 110.7581 108.0752 111.6012 120.4782 127.8876 109.6465 128.2394 122.0855 125.208 126.1517 108.6403 110.4984 109.8766 112.1989 106.5555 108.8218 108.7113 115.1355 110.0755 108.766 108.3784 108.2635 105.8024 126.6945 114.1779 119.1268 120.9516 122.2644 116.7838 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 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 16 18 18 18 17 17 44 44 45 45 20 20 46 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 17 17 20 20 20 20 20 20 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 20 20 21 21 21 21 21 21 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 45 21 44 45 22 46 22 46 22 46 47 48 47 -1.0176 178.6916 145.9811 -98.3762 22.5946 2.9746 152.2963 -142.255 7.0667 -141.5254 4.3897 -0.5707 145.3444 -83.0539 37.7321 158.2345 -152.5884 -31.8023 88.7 63.7899 -175.424 -54.9217 -151.1889 -29.9744 90.2592 -80.6858 40.5286 160.7622 61.2104 -177.5752 -57.3416 133.2237 -10.0783 -7.4168 -150.7188 144.5925 -35.6917 -143.1024 36.6134 -3.9127 175.8031 133.5278 -46.7752 -156.9301 22.7669 -12.6968 167.0002 -0.0969 179.9677 -179.8083 0.2563 122.2503 0.7941 -120.625 -57.8105 -179.2668 59.3141 0.1531 -120.9259 121.2283 -179.7889 59.132 -58.7137 126.4449 9.2559 -112.848 7.6356 -109.5534 128.3427 -112.6804 130.1305 8.0266 -124.3878 57.5414 -5.9308 175.9983 115.8398 -62.231 172.9394 -7.1321 -68.5199 111.4085 50.2656 -129.8059 1.4281 -176.6326 179.3214 1.2607 -57.6447 59.6545 -179.2839 124.6282 -118.0727 2.989 -176.3165 3.7559 1.8858 -178.0418 81.6761 -41.1624 -156.6545 -96.1681 140.9934 25.5013 -4.7764 175.5697 118.9636 -60.6904 -126.7172 53.6289 -179.7847 0.3996 -0.1461 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0484071373 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:-.4453,-.0128,.8134;.5593,-1.7791,-.133;-4.9512,.758,1.4896;2.9584,-.7418,1.6478;3.1825,-.3886,.2083;1.8624,-.0362,.8661;3.621,.0755,2.7306;2.8235,-2.1994,2.0139;4.0807,.7029,-.2196;.6258,-.724,.4513;5.0242,.6333,-1.165;-1.7572,-.4921,.5065;5.3521,-.5954,-1.958;5.8494,1.8362,-1.5135;-2.716,-.1754,1.6449;-2.3191,.235,-.6903;-3.523,.7672,-.4277;-3.8894,.4926,.967;-1.5924,.244,-1.9819;-4.4382,1.4767,-1.365;-5.3194,.5712,-2.1764;-5.2816,-.7552,-2.2027;3.1239,-1.2385,-.4632;1.7233,1.0065,1.1306;4.6525,-.2508,2.8797;3.6398,1.142,2.5092;3.0953,-.0517,3.679;2.1627,-2.3293,2.8738;2.4432,-2.8147,1.2014;3.8017,-2.5975,2.2914;3.9446,1.6557,.2842;-1.7234,-1.5647,.3026;5.1358,-.4409,-3.0187;4.8138,-1.4853,-1.637;6.4203,-.8176,-1.8929;5.5692,2.7137,-.9304;5.7455,2.09,-2.5721;6.9132,1.6467,-1.3464;-2.2714,.5252,2.3564;-3.0297,-1.0561,2.2056;-.611,.7134,-1.8806;-1.4178,-.7777,-2.3269;-2.1393,.7743,-2.759;-3.8661,2.1091,-2.0508;-5.0741,2.1683,-.8045;-6.0433,1.087,-2.8002;-5.9588,-1.3152,-2.8352;-4.585,-1.335,-1.6087; 0.000000 2.241575 0.000000 4.621071 6.279741 0.000000 3.579500 3.162698 8.052058 0.000000 3.697078 2.988536 8.313439 1.499025 0.000000 2.308394 2.394522 6.887958 1.519942 1.516431 0.000000 4.496510 4.584071 8.688421 1.509821 2.601798 2.565498 0.000000 4.111891 3.148406 8.334686 1.508864 2.582252 2.630707 2.514893 0.000000 4.697251 4.309071 9.192368 2.614186 1.476864 2.577990 3.050975 3.871971 0.000000 1.335743 1.207921 5.863215 2.621565 2.590037 1.474487 3.847776 3.073781 3.797704 0.000000 5.852114 5.178818 10.323332 3.751088 2.514394 3.817191 4.178029 4.792987 1.337496 4.878616 0.000000 1.430035 2.726123 3.567976 4.858172 4.949822 3.665864 5.847587 5.115699 6.003070 2.394948 7.074502 0.000000 6.452066 5.263261 10.948698 4.330440 3.072881 4.523924 5.042744 4.974125 2.514745 5.306467 1.498679 7.525037 0.000000 6.961077 6.554503 11.262046 4.999817 3.876423 5.006480 5.106667 6.155051 2.467164 6.140139 1.499809 8.207454 2.521514 0.000000 2.423649 4.057210 2.427189 5.702596 6.074705 4.646243 6.434245 5.909253 7.102356 3.590772 8.274127 1.521736 8.845976 9.348188 0.000000 2.415282 3.557087 3.457288 5.854317 5.609336 4.469985 6.856622 6.299681 6.434181 3.300899 7.369461 1.508890 7.819459 8.364603 2.404009 0.000000 3.408920 4.820338 2.390809 6.970857 6.834028 5.596536 7.841558 7.418911 7.606809 4.495449 8.579972 2.361461 9.108478 9.495414 2.415718 1.342136 0.000000 3.484402 5.114885 1.212767 6.991410 7.166909 5.776941 7.726005 7.307978 8.060750 4.704643 9.166171 2.393322 9.754203 10.139192 1.510857 2.297555 1.468008 0.000000 3.032385 3.484440 4.857682 5.903907 5.291223 4.486073 7.029631 6.437158 5.958227 3.431959 6.678189 2.600255 6.995018 7.624610 3.820049 1.482108 2.533069 3.746271 0.000000 4.786081 6.090374 2.987966 8.288991 8.001834 6.852963 9.148083 8.812618 8.630315 5.812580 9.502016 3.816518 10.024665 10.294937 3.841165 2.546982 1.489726 2.589891 3.162071 0.000000 5.747728 6.652703 3.689132 9.212486 8.882042 7.823249 10.210546 9.567738 9.602543 6.627835 10.393138 4.584481 10.737251 11.259757 4.683758 3.364978 2.514638 3.454261 3.746410 1.501642 0.000000 5.747854 6.280821 4.003976 9.095288 8.808487 7.808394 10.211987 9.249809 9.680521 6.476342 10.450613 4.453142 10.637696 11.449477 4.660815 3.470505 2.925955 3.679992 3.828550 2.528726 1.327152 0.000000 3.983895 2.641689 8.544400 2.174952 1.084819 2.191809 3.489128 2.673869 2.178033 2.709543 2.758140 5.032213 2.759061 4.240921 6.299174 5.643574 6.943011 7.364071 5.171839 8.085220 8.803393 8.597260 0.000000 2.417101 3.272755 6.688736 2.202181 2.219459 1.084679 2.651086 3.502629 2.733602 2.158802 4.037966 3.840461 5.027243 4.970341 4.622630 4.500193 5.478015 5.638569 4.611131 6.664252 7.792614 7.955064 3.088997 0.000000 5.505837 5.307214 9.756092 2.151478 3.052196 3.447554 1.092093 2.809283 3.292669 4.726006 4.156821 6.839241 4.900094 5.008758 7.471659 7.847591 8.877720 8.784990 7.929612 10.180458 11.210650 11.170168 3.806194 3.635998 0.000000 4.571358 5.000305 8.659787 2.180595 2.800963 2.692049 1.089383 3.475084 2.798799 4.098849 3.959176 5.984031 5.089774 4.641774 6.548162 6.824058 7.750541 7.712923 6.953546 8.965177 10.126568 10.266099 3.842888 2.364723 1.761402 0.000000 4.555206 4.893583 8.378305 2.149666 3.488110 3.071372 1.091829 2.731157 4.091415 4.119301 5.258787 5.814332 6.096269 6.173449 6.158300 6.963463 7.831876 7.512558 7.355869 9.194113 10.270442 10.259810 4.309020 3.081732 1.761673 1.757799 0.000000 4.051332 3.451734 7.877506 2.157796 3.451231 3.062562 2.816023 1.092211 4.737260 3.287426 5.768621 4.934110 6.043503 7.084576 5.472807 6.274197 7.267434 6.944607 6.655880 8.719184 9.481519 9.146978 3.639948 3.789364 3.243372 3.790008 2.589518 0.000000 4.042872 2.530266 8.217334 2.182049 2.723746 2.858276 3.475439 1.087826 4.132046 2.869921 4.914262 4.849877 4.834030 6.372095 5.812124 5.963188 7.147014 7.148140 5.981259 8.506222 9.117678 8.689255 2.391350 3.889049 3.777747 4.335558 3.768044 1.763864 0.000000 5.186735 4.130469 9.408239 2.137473 3.098701 3.514632 2.714781 1.091939 4.156360 4.120912 4.886666 6.206473 4.946646 6.190977 6.983204 7.374176 8.506807 8.393816 7.445255 9.892589 10.639372 10.300407 3.145513 4.319237 2.564553 3.749239 2.984164 1.759899 1.755231 0.000000 4.725988 4.840667 9.021807 2.929238 2.183032 2.745333 2.930340 4.371585 1.086400 4.087201 2.076361 6.096956 3.475076 2.625374 7.040435 6.496280 7.553804 7.949243 6.147002 8.545274 9.646314 9.854924 3.099797 2.464128 3.297356 2.303797 3.893807 5.075575 4.804167 4.705242 0.000000 2.074317 2.333810 4.149948 4.940224 5.045845 3.938480 6.094938 4.899586 6.253229 2.499567 7.246797 1.092340 7.490814 8.497797 2.171944 2.140067 3.034749 3.060306 2.916840 4.404620 4.861949 4.426391 4.918312 4.379074 7.001459 6.399916 6.075349 4.722036 4.442000 5.962298 6.519019 0.000000 6.783545 5.573344 11.113447 5.158269 3.772491 5.096115 5.967855 5.810840 3.202550 5.697463 2.145307 7.742304 1.093506 2.821375 9.136242 7.839283 9.118472 9.910190 6.841939 9.903167 10.537778 10.454055 3.348775 5.563836 5.921165 5.941425 7.012457 6.864868 5.540205 5.884573 4.089466 7.703449 0.000000 5.985865 4.522053 10.495832 3.845141 2.696127 4.132316 4.788991 4.219025 2.708223 4.741285 2.180678 6.982792 1.088369 3.481407 8.317763 7.398283 8.719957 9.297264 6.644432 9.718343 10.353822 10.137591 2.072276 4.839366 4.685109 5.046909 5.767890 5.299779 3.929798 4.206421 3.783183 6.819373 1.761682 0.000000 7.423484 6.194598 11.968048 4.952503 3.883623 5.384910 5.478163 5.487213 3.253517 6.251421 2.140981 8.528487 1.093033 2.740895 9.818412 8.884374 10.174809 10.778976 8.083178 11.110748 11.824951 11.706196 3.617644 5.876262 5.120916 5.563205 6.533659 6.567625 5.420360 5.247292 4.121439 8.467529 1.749056 1.758464 0.000000 6.829956 6.776391 10.970815 5.040217 4.076346 4.952732 4.915085 6.351813 2.600764 6.177670 2.163323 8.125124 3.471782 1.090133 9.144567 8.272037 9.311721 9.899419 7.648044 10.092870 11.167087 11.462619 4.670887 4.685384 4.913698 4.245387 5.917260 7.176830 6.699150 6.458495 2.287737 8.544404 3.807874 4.324459 3.757706 0.000000 7.362679 6.914870 11.519122 5.796094 4.521373 5.605390 6.057232 6.925892 3.198411 6.578057 2.149890 8.510912 2.782706 1.093557 9.721744 8.486473 9.604797 10.387910 7.589471 10.273287 11.175652 11.394243 4.732747 5.573308 6.032847 5.581394 7.119473 7.875514 7.014262 7.028832 3.404439 8.798046 2.641290 3.811159 3.061113 1.765012 0.000000 7.846401 7.319837 12.230943 5.505525 4.525185 5.765244 5.470737 6.542878 3.191135 6.955797 2.151283 9.120511 2.799680 1.093382 10.246445 9.362642 10.513356 11.107679 8.643834 11.352656 12.307796 12.458562 4.843844 5.786222 5.154655 5.082853 6.535725 7.495674 6.809951 6.397498 3.386995 9.360742 3.211455 3.781655 2.571762 1.765772 1.749958 0.000000 2.450521 4.418147 2.826147 5.427501 5.932467 4.429911 5.921352 5.787806 6.856852 3.685610 8.101723 2.172914 8.830997 9.090753 1.093042 3.060876 3.062143 2.133014 4.400178 4.410107 5.462525 5.611337 6.338008 4.206134 6.986860 5.945199 5.557303 5.298782 5.892088 6.829161 6.649049 2.980965 9.202783 8.377894 9.767550 8.778746 9.539851 9.966178 0.000000 3.115468 4.344325 2.737804 6.022252 6.559494 5.173711 6.766744 5.966955 7.715853 4.068280 8.892787 2.196447 9.370281 10.051696 1.090181 3.249336 3.240730 2.161409 4.614308 4.598640 5.205034 4.959315 6.709957 5.291628 7.753736 7.028970 6.379389 5.387883 5.835635 7.003697 7.725728 2.363553 9.713276 8.744766 10.303308 9.898841 10.475166 10.898800 1.760274 0.000000 2.795009 3.261301 5.495200 5.225641 4.468610 3.771390 6.291228 5.953732 4.977058 3.005607 5.681016 2.909497 6.105468 6.567506 4.201237 2.136216 3.254731 4.348075 1.092569 3.936486 4.719849 4.906675 4.446162 3.821206 7.161980 6.125565 6.725441 6.289297 5.592324 6.916588 5.130980 3.345695 5.971012 5.858468 7.196026 6.564924 6.540482 7.600622 4.554617 5.067385 0.000000 3.375171 3.118464 5.422956 5.911850 5.267016 4.637238 7.189944 6.233151 6.071760 3.449301 6.696275 2.867892 6.782319 7.765701 4.221810 2.125213 3.228817 4.309569 1.092399 3.889755 4.130943 3.865913 4.930792 5.000334 8.014635 7.256122 7.547610 6.501881 5.612984 7.203021 6.441552 2.761741 6.598583 6.309451 7.850182 7.934548 7.719842 8.731765 4.935546 4.818645 1.753102 0.000000 4.031182 4.549474 5.094799 6.906812 6.203107 5.459929 7.987766 7.500140 6.718778 4.494072 7.340046 3.523179 7.657526 8.154637 4.541895 2.145348 2.710937 4.126157 1.088131 2.778766 3.239414 3.538785 6.084660 5.486495 8.886696 7.828534 8.338545 7.737384 7.040203 8.495313 6.859338 3.875189 7.380427 7.396596 8.749303 8.156293 7.995974 9.203453 5.123151 5.365633 1.763791 1.765158 0.000000 4.940441 6.195196 3.941720 8.269301 7.811880 6.776889 9.113445 8.935110 8.275469 5.870685 9.055440 4.213477 9.607178 9.734212 4.494458 2.784996 2.133706 3.423572 2.941615 1.094344 2.119641 3.198535 7.911242 6.525221 10.121567 8.835597 9.271596 8.960914 8.638778 9.990113 8.164827 4.860717 9.406039 9.403814 10.695826 9.520814 9.625765 10.812207 4.947305 5.369831 3.545832 3.795245 2.294586 0.000000 5.366618 6.911489 2.695682 8.888395 8.702618 7.467631 9.616756 9.454775 9.289824 6.513995 10.220711 4.449516 10.847771 10.951550 4.129540 3.367571 2.123933 2.711018 4.148736 1.094067 2.119747 3.247337 8.884315 7.162323 10.678596 9.379006 9.579685 9.280626 9.239300 10.539331 9.098581 5.136960 10.768153 10.574163 11.925685 10.657998 10.963333 12.010890 4.532819 4.861781 4.816073 4.936152 3.791674 1.736726 0.000000 6.753173 7.676163 4.438822 10.205889 9.815555 8.786544 11.180908 10.611175 10.454852 7.637414 11.196906 5.639017 11.549672 11.985598 5.694211 4.364318 3.476081 4.380009 4.603401 2.188232 1.085958 2.081057 9.742091 8.705049 12.184095 11.043347 11.260232 10.545365 10.161592 11.680107 10.468751 5.943127 11.285175 11.218160 12.640919 11.874039 11.833622 13.049847 6.413607 6.223559 5.522307 5.009677 3.916786 2.519215 2.468144 0.000000 6.738411 7.071238 4.900662 9.997060 9.679094 8.746720 11.166201 10.070947 10.569079 7.382923 11.278839 5.431132 11.367599 12.292740 5.646787 4.500078 4.008151 4.691133 4.714296 3.502587 2.097866 1.082634 9.387630 8.951598 12.099264 11.257526 11.225347 9.978954 9.441203 11.099253 10.799648 5.276958 11.130478 10.840340 12.424855 12.359339 12.192379 13.291967 6.628490 5.835723 5.798726 4.600864 4.354322 4.088971 4.128100 2.403895 0.000000 4.975131 5.370201 3.756892 8.237689 8.033189 7.027106 9.389261 8.291978 9.009875 5.636492 9.818788 3.630581 9.970666 10.906105 3.927406 2.905668 2.634805 3.233962 3.404201 2.826066 2.120174 1.083655 7.794183 7.265055 10.327325 9.525754 9.412514 8.161716 7.712494 9.334995 9.234782 3.448879 9.863139 9.400054 11.021136 10.952603 10.926026 11.881413 4.953399 4.128656 4.479157 3.295111 3.428375 3.545984 3.627625 3.067977 1.841673 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:.4817,-.844,-.2541;-.5252,-.4024,1.6993;4.9609,-1.5791,-1.1208;-2.9927,-1.6124,.134;-3.1117,-.1211,.2287;-1.8239,-.7356,-.2847;-3.6922,-2.3492,-.9828;-2.9354,-2.4081,1.4147;-3.9399,.6782,-.6966;-.5897,-.6365,.516;-4.8233,1.6243,-.3597;1.7919,-.7903,.3165;-5.1452,2.0329,1.0458;-5.5796,2.3763,-1.4142;2.6874,-1.8468,-.3141;2.4553,.526,-.0059;3.6588,.3498,-.5731;3.9254,-1.0856,-.727;1.813,1.8094,.3643;4.6574,1.3886,-.9514;5.5543,1.8251,.171;5.4694,1.4545,1.4425;-3.0419,.2581,1.2427;-1.6635,-.6839,-1.3562;-4.7425,-2.5149,-.7335;-3.6575,-1.8169,-1.9327;-3.233,-3.3272,-1.1398;-2.3358,-3.3124,1.2893;-2.5272,-1.8474,2.2528;-3.9432,-2.7214,1.6946;-3.8009,.4756,-1.7549;1.7316,-.9162,1.3999;-4.8564,3.0727,1.2225;-4.6617,1.4217,1.8055;-6.2229,1.981,1.2207;-5.3048,2.0651,-2.4222;-5.3993,3.4519,-1.3344;-6.6582,2.2368,-1.301;2.2246,-2.2811,-1.2039;2.9321,-2.6671,.361;.8451,1.9244,-.1294;1.623,1.8431,1.4395;2.4274,2.6685,.1025;4.1538,2.272,-1.356;5.2815,1.0176,-1.7698;6.3351,2.5214,-.1205;6.1642,1.8392,2.1783;4.7154,.7653,1.8045; 0.5234010 0.1152960 0.1046154 -19.17654 -19.11717 -19.11683 -10.30940 -10.26135 -10.24201 -10.20403 -10.19521 -10.18488 -10.18213 -10.18093 -10.17651 -10.17624 -10.17606 -10.17352 -10.16786 -10.15933 -10.15798 -10.15577 -10.15495 -10.15441 -10.15387 -1.12447 -1.05372 -1.03517 -0.89056 -0.87551 -0.80923 -0.80576 -0.76417 -0.74790 -0.73481 -0.71123 -0.69212 -0.68851 -0.68285 -0.67354 -0.63011 -0.58331 -0.56755 -0.56294 -0.55773 -0.53758 -0.51894 -0.49885 -0.49351 -0.48123 -0.47730 -0.47028 -0.46585 -0.45561 -0.45184 -0.44089 -0.43297 -0.42887 -0.42554 -0.42186 -0.41653 -0.40797 -0.39892 -0.39791 -0.39189 -0.38965 -0.38325 -0.38063 -0.37996 -0.37623 -0.37342 -0.36732 -0.36305 -0.35616 -0.35208 -0.34920 -0.32948 -0.31630 -0.31313 -0.29561 -0.28220 -0.26983 -0.26610 -0.25904 -0.22728 -0.05699 -0.01014 0.00158 0.00418 0.01089 0.01419 0.01757 0.02151 0.02498 0.02911 0.03058 0.03568 0.04218 0.04346 0.04563 0.05058 0.05089 0.05700 0.05828 0.06122 0.06456 0.06714 0.07070 0.07185 0.07465 0.08140 0.08298 0.08318 0.08757 0.09283 0.09448 0.09721 0.09963 0.10433 0.10685 0.10881 0.11074 0.11690 0.12078 0.12370 0.12874 0.12893 0.13406 0.13517 0.13638 0.13884 0.14344 0.14410 0.14730 0.15132 0.15280 0.15831 0.15858 0.16313 0.16609 0.16950 0.17031 0.17368 0.17633 0.18009 0.18525 0.18676 0.19261 0.19567 0.19604 0.19753 0.20060 0.20200 0.20421 0.20724 0.21029 0.21218 0.21421 0.21793 0.22011 0.22121 0.22543 0.22849 0.23102 0.23338 0.23483 0.23914 0.24085 0.24175 0.24358 0.24809 0.24884 0.25283 0.25368 0.25689 0.26030 0.26052 0.26459 0.26681 0.27038 0.27755 0.27828 0.28069 0.28527 0.28765 0.28795 0.29014 0.29693 0.29942 0.30143 0.30530 0.30718 0.31045 0.31494 0.31884 0.32410 0.32872 0.33328 0.33581 0.33669 0.34187 0.34715 0.34949 0.35690 0.36030 0.36435 0.36516 0.37155 0.37872 0.38067 0.38737 0.38940 0.39548 0.40580 0.40602 0.41398 0.41926 0.43114 0.43497 0.43646 0.44022 0.44699 0.45233 0.45562 0.45794 0.46708 0.47759 0.48064 0.49018 0.49310 0.49838 0.50913 0.51225 0.52296 0.52595 0.53164 0.53749 0.54586 0.54953 0.55858 0.56042 0.56962 0.57018 0.57291 0.58399 0.58591 0.59050 0.60032 0.60790 0.61046 0.61415 0.62411 0.62605 0.63046 0.63168 0.63619 0.64016 0.64295 0.65181 0.65643 0.65927 0.66493 0.66661 0.67198 0.67456 0.67814 0.68454 0.68901 0.68968 0.69242 0.69430 0.70116 0.70255 0.70855 0.71052 0.71349 0.72103 0.72322 0.72868 0.73475 0.73688 0.74227 0.74443 0.74652 0.75105 0.75490 0.76214 0.76661 0.77030 0.77913 0.78275 0.78680 0.79030 0.79833 0.79954 0.80678 0.81872 0.82685 0.83081 0.83962 0.84027 0.85111 0.86033 0.86631 0.88321 0.89068 0.89887 0.90539 0.91159 0.92141 0.92763 0.93913 0.94565 0.95215 0.95948 0.97985 0.99818 1.01128 1.01454 1.02430 1.03891 1.04421 1.05870 1.06956 1.08856 1.09084 1.09780 1.10804 1.11647 1.12531 1.13295 1.14845 1.15574 1.16245 1.17003 1.17882 1.18703 1.20688 1.21861 1.22219 1.23187 1.25866 1.27730 1.28362 1.28805 1.29768 1.30898 1.32610 1.32663 1.35642 1.36056 1.36401 1.37994 1.38781 1.40736 1.40921 1.41540 1.42332 1.43829 1.44391 1.44696 1.45652 1.46005 1.47457 1.47582 1.47720 1.48231 1.48986 1.49675 1.50249 1.50750 1.52046 1.52107 1.52313 1.53365 1.54331 1.55321 1.55692 1.56649 1.57201 1.57763 1.58691 1.58971 1.60042 1.61085 1.61214 1.61657 1.61966 1.63036 1.63804 1.64070 1.64466 1.65215 1.66312 1.66800 1.67028 1.68191 1.68453 1.69136 1.69790 1.70407 1.70990 1.71227 1.71708 1.71764 1.73016 1.73121 1.73513 1.73975 1.74927 1.75648 1.76096 1.76781 1.77430 1.78887 1.79656 1.80417 1.81486 1.82245 1.82909 1.83996 1.84917 1.86285 1.86418 1.87184 1.87859 1.89172 1.90173 1.90677 1.90940 1.92816 1.93096 1.94102 1.95773 1.96908 1.96939 1.97599 1.98494 2.00263 2.01769 2.02836 2.03697 2.04538 2.05315 2.06059 2.07381 2.08031 2.10174 2.10716 2.11388 2.12346 2.12954 2.13959 2.14348 2.15617 2.16089 2.17079 2.18201 2.18831 2.19192 2.20027 2.21776 2.23205 2.23875 2.24629 2.25707 2.27738 2.29291 2.31120 2.32137 2.32954 2.33171 2.36217 2.37364 2.38591 2.39831 2.41213 2.42421 2.43639 2.44702 2.45233 2.46190 2.48078 2.48204 2.48406 2.49440 2.50320 2.51565 2.51998 2.52456 2.53531 2.54831 2.55004 2.55297 2.56040 2.56421 2.56540 2.57358 2.57906 2.59315 2.59490 2.60450 2.60984 2.62095 2.63187 2.63409 2.65087 2.65216 2.66791 2.67744 2.68438 2.68618 2.69393 2.69977 2.70997 2.72980 2.73956 2.74763 2.75260 2.75816 2.76469 2.77115 2.78211 2.79143 2.80622 2.81683 2.83419 2.84172 2.85522 2.86262 2.86827 2.87968 2.88621 2.89414 2.89558 2.90174 2.91928 2.92526 2.93720 2.94751 2.95430 2.95837 2.97482 2.98977 2.99730 3.01193 3.01788 3.05299 3.06568 3.07391 3.09809 3.10297 3.11802 3.13695 3.14711 3.15857 3.17309 3.18180 3.21187 3.21816 3.23165 3.24053 3.24741 3.27094 3.28764 3.29772 3.32424 3.36286 3.37659 3.37886 3.39390 3.47554 3.52223 3.54173 3.57096 3.60695 3.64155 3.68132 3.68919 3.70745 3.71815 3.76835 3.77722 3.78749 3.80859 3.81951 3.82267 3.83507 3.84208 3.84518 3.85113 3.85952 3.86555 3.88248 3.89160 3.92206 3.99977 4.06090 4.10449 4.16676 4.18290 4.22181 4.28637 4.29630 4.31525 4.33016 4.41624 4.46283 4.54386 4.59923 4.62169 5.08060 5.10237 5.13795 5.22456 5.30610 5.40701 5.69793 5.75313 5.93470 23.66298 23.70584 23.78552 23.83491 23.85149 23.88749 23.91217 23.91470 23.91903 23.95219 23.96536 23.98691 24.00516 24.00866 24.00877 24.03019 24.23523 24.27575 24.29392 49.93248 50.03300 50.03981 1-A. -5.1196 2.5570 -0.5949 5.7535 -152.4209 -129.1619 -137.5230 15.8651 9.2195 -4.3763 -12.7189 10.5400 2.1789 15.8651 9.2195 -4.3763 -225.1687 -3.5881 -10.1277 -17.3008 114.4973 44.9133 -1.7949 3.0542 4.3559 -28.5495 -12372.0720 -2148.3816 -906.3049 489.8859 169.7746 16.3606 -23.8659 21.3534 5.8223 -2267.8782 -2059.7147 -521.8885 -132.9035 3.5106 21.9906 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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:-.4343,-.002,.9593;.5696,-1.8222,.0627;-4.9267,1.0102,1.3786;3.0196,-.7941,1.782;3.2072,-.4155,.3339;1.8883,-.0654,1.0424;3.7101,.0027,2.8738;2.8772,-2.2654,2.1214;4.0949,.6764,-.1214;.6496,-.7476,.628;4.8311,.7012,-1.2443;-1.7588,-.4916,.6074;4.8893,-.4045,-2.2657;5.6926,1.8938,-1.5752;-2.7652,-.0788,1.6789;-2.242,.1665,-.6694;-3.434,.7757,-.4942;-3.8639,.6286,.9055;-1.4484,.0562,-1.9216;-4.2771,1.4743,-1.5162;-5.1387,.5685,-2.3655;-5.1494,-.7628,-2.3504;3.0989,-1.255,-.3429;1.7479,.9703,1.3258;4.7402,-.3474,3.0004;3.7411,1.0729,2.6642;3.1889,-.137,3.8263;2.2695,-2.3966,3.0233;2.4187,-2.8374,1.3152;3.867,-2.6893,2.3208;4.1435,1.5462,.5288;-1.7029,-1.5735,.4794;4.5909,-.0259,-3.2509;4.2549,-1.2584,-2.0273;5.9186,-.768,-2.3724;5.629,2.6737,-.8123;5.3984,2.3301,-2.5379;6.744,1.5978,-1.6767;-2.3177,.6248,2.3857;-3.1707,-.9178,2.247;-.4372,.4495,-1.7708;-1.3353,-.9975,-2.1993;-1.9128,.5888,-2.7518;-3.6434,2.0724,-2.1818;-4.931,2.1896,-1.0045;-5.8006,1.096,-3.0501;-5.8076,-1.3231,-3.0067;-4.5114,-1.3401,-1.6882; 0.000000 2.263835 0.000000 4.624037 6.321666 0.000000 3.637815 3.164683 8.158518 0.000000 3.717921 3.001536 8.323734 1.508476 0.000000 2.324934 2.405217 6.907493 1.535550 1.537604 0.000000 4.565295 4.592973 8.823009 1.517839 2.622785 2.584167 0.000000 4.176069 3.124023 8.495994 1.516587 2.593430 2.642375 2.530604 0.000000 4.705523 4.324902 9.151512 2.634755 1.479103 2.602696 3.094118 3.894529 0.000000 1.356626 1.216877 5.894714 2.636452 2.595837 1.473604 3.869591 3.081619 3.802601 0.000000 5.751136 5.122162 10.108929 3.830993 2.524897 3.804921 4.324807 4.893523 1.342995 4.805228 0.000000 1.455309 2.736593 3.589622 4.929968 4.974169 3.697608 5.940609 5.189562 6.013452 2.422055 6.948341 0.000000 6.237262 5.107940 10.565769 4.475679 3.096377 4.479379 5.288779 5.172830 2.529331 5.144567 1.506354 7.242910 0.000000 6.896132 6.537319 11.057762 5.063699 3.892947 5.016304 5.225004 6.236219 2.479547 6.104357 1.507974 8.122647 2.530699 0.000000 2.440638 4.095424 2.438878 5.829749 6.131245 4.696809 6.585171 6.067428 7.132482 3.634857 8.176677 1.526857 8.617252 9.274385 0.000000 2.439024 3.520839 3.480431 5.883590 5.571334 4.476985 6.928888 6.317361 6.380978 3.298488 7.116621 1.515466 7.330069 8.170805 2.418311 0.000000 3.422834 4.805055 2.406318 7.021010 6.797876 5.603169 7.936017 7.478054 7.538796 4.500604 8.299480 2.371868 8.591194 9.258158 2.428957 1.350070 0.000000 3.487501 5.135467 1.224289 7.083415 7.170631 5.795509 7.850614 7.436134 8.024926 4.726764 8.957191 2.403131 9.367098 9.953953 1.518433 2.307470 1.471642 0.000000 3.054716 3.396814 4.888739 5.865365 5.194677 4.464690 7.043394 6.359747 5.861172 3.398222 6.348803 2.606165 6.363711 7.381746 3.836093 1.486621 2.549086 3.762314 0.000000 4.803628 6.070520 3.002826 8.322622 7.937898 6.850505 9.232257 8.854495 8.524839 5.814358 9.145085 3.836158 9.386965 9.978701 3.860904 2.563040 1.497776 2.598216 3.190178 0.000000 5.788861 6.648062 3.775957 9.252896 8.826656 7.835434 10.299155 9.613420 9.503002 6.648087 10.033589 4.624397 10.075597 10.940654 4.733838 3.380695 2.539777 3.511140 3.752068 1.511331 0.000000 5.810804 6.297092 4.135031 9.154827 8.784085 7.843918 10.313623 9.310324 9.617562 6.519177 10.147845 4.507573 10.045477 11.189623 4.731560 3.484600 2.958889 3.766921 3.814758 2.541933 1.331383 0.000000 3.968565 2.623648 8.514983 2.175772 1.083769 2.190893 3.507538 2.672593 2.184414 2.683184 2.764055 5.008352 2.761535 4.261586 6.313390 5.536510 6.842956 7.320350 4.988945 7.951861 8.676093 8.503398 0.000000 2.416949 3.283587 6.674874 2.222304 2.243709 1.082926 2.680149 3.518253 2.772974 2.155083 4.023031 3.866565 4.965658 4.982927 4.646832 4.532796 5.495672 5.637858 4.647296 6.680695 7.823815 8.005696 3.092273 0.000000 5.573197 5.310213 9.895517 2.155088 3.076441 3.470795 1.095227 2.814588 3.348155 4.745664 4.373243 6.927074 5.268500 5.183254 7.625550 7.904570 8.960519 8.909043 7.917503 10.248400 11.279335 11.252016 3.833405 3.673463 0.000000 4.636364 5.020681 8.762812 2.187340 2.816100 2.712680 1.090993 3.490674 2.835797 4.125228 4.074642 6.076771 5.273007 4.738620 6.680487 6.908816 7.845120 7.818322 6.999531 9.051431 10.217753 10.370973 3.856676 2.403040 1.768709 0.000000 4.622282 4.885179 8.553944 2.153959 3.503503 3.073545 1.094692 2.744768 4.131208 4.129168 5.395438 5.913312 6.330508 6.290383 6.329770 7.056778 7.960079 7.671963 7.387820 9.320946 10.401183 10.395727 4.317431 3.091126 1.769987 1.766143 0.000000 4.159932 3.461855 8.130000 2.161347 3.469393 3.082841 2.802587 1.095392 4.760782 3.328813 5.862681 5.068872 6.229388 7.160433 5.703345 6.368626 7.413965 7.159316 6.655147 8.857185 9.628725 9.305211 3.649973 3.806570 3.210017 3.785785 2.568298 0.000000 4.038092 2.453274 8.292380 2.180341 2.729455 2.835463 3.487558 1.089671 4.149746 2.823054 4.989220 4.843154 4.984513 6.438708 5.883498 5.889378 7.112207 7.186991 5.814163 8.452373 9.069877 8.661314 2.390760 3.866386 3.798552 4.342644 3.767083 1.770335 0.000000 5.251343 4.089450 9.586606 2.144769 3.090779 3.526257 2.752631 1.095066 4.164679 4.121627 5.013490 6.278212 5.225092 6.286237 7.156317 7.376794 8.557783 8.531029 7.334116 9.918939 10.661965 10.335782 3.121290 4.344355 2.590100 3.779878 3.039791 1.769480 1.769380 0.000000 4.851685 4.933177 9.125686 2.882836 2.182443 2.819070 2.840643 4.320627 1.087032 4.180790 2.081110 6.244733 3.488673 2.635798 7.189836 6.641892 7.685034 8.068646 6.284452 8.665742 9.772063 9.999042 3.114159 2.589599 3.170168 2.223856 3.823290 5.027931 4.775875 4.607245 0.000000 2.075861 2.323695 4.228161 4.960406 5.046867 3.935427 6.125210 4.914452 6.247966 2.497620 7.130113 1.090915 7.235905 8.422356 2.191257 2.153599 3.076311 3.114663 2.912966 4.460781 4.948381 4.532553 4.882052 4.369785 7.026471 6.435305 6.098737 4.788381 4.391308 5.971531 6.626852 0.000000 6.555796 5.511527 10.634331 5.328121 3.862243 5.073246 6.187763 6.067375 3.245414 5.576760 2.147680 7.444563 1.096760 2.776152 8.855327 7.306810 8.522946 9.443900 6.184363 9.159769 9.787863 9.809556 3.491831 5.479154 6.261264 6.075925 7.215527 7.097448 5.785434 6.217803 4.117979 7.478003 0.000000 5.699731 4.274006 10.052248 4.031439 2.717251 4.055541 5.090034 4.485952 2.720632 4.506653 2.187523 6.610163 1.090203 3.494038 8.025505 6.788520 8.099827 8.836120 5.853768 8.973536 9.575571 9.422903 2.042915 4.742988 5.132556 5.263925 6.054632 5.544870 4.127556 4.593914 3.796346 6.471251 1.768915 0.000000 7.214355 5.971033 11.612602 5.066021 3.847104 5.329029 5.744099 5.629128 3.237186 6.063499 2.147917 8.240083 1.096822 2.787808 9.607121 8.388665 9.663466 10.411211 7.426664 10.474467 11.137818 11.068084 3.508136 5.838997 5.516578 5.787708 6.802473 6.714335 5.489097 5.470581 4.113828 8.177314 1.756464 1.768547 0.000000 6.860142 6.824657 10.908230 5.056204 4.089265 4.993549 4.940040 6.369712 2.611454 6.210813 2.171154 8.161769 3.483476 1.092778 9.178489 8.261925 9.265090 9.861472 7.626995 10.003270 11.080969 11.417075 4.696421 4.747232 4.945027 4.267621 5.947316 7.190691 6.723374 6.456179 2.297071 8.571056 3.783112 4.338883 3.789802 0.000000 7.189571 6.879130 11.121542 5.837926 4.537329 5.556822 6.128143 7.013143 3.205178 6.484349 2.156047 8.311504 2.794895 1.097083 9.498882 8.157764 9.198099 10.027122 7.240816 9.766924 10.684785 10.993571 4.791564 5.486700 6.186646 5.602561 7.174358 7.940970 7.101259 7.151687 3.405020 8.646984 2.590637 3.800814 3.145801 1.774480 0.000000 7.812587 7.269503 12.078300 5.617455 4.539310 5.808473 5.697069 6.656012 3.207148 6.924965 2.156395 9.048831 2.792194 1.097027 10.222345 9.154917 10.279436 10.960637 8.339796 11.023017 11.947113 12.144166 4.817139 5.862639 5.447424 5.304370 6.777286 7.620182 6.879740 6.529695 3.410229 9.276627 3.122596 3.804892 2.600454 1.774209 1.757400 0.000000 2.444283 4.440770 2.823108 5.555520 5.984691 4.468851 6.079433 5.950574 6.885441 3.711779 8.018026 2.172807 8.639178 9.025710 1.093123 3.090227 3.092439 2.140540 4.430797 4.448182 5.525881 5.689934 6.349668 4.215606 7.150928 6.081675 5.742613 5.529690 5.963740 7.016915 6.785582 2.973991 8.939928 8.137538 9.613330 8.807666 9.310656 9.978197 0.000000 3.159861 4.424831 2.748619 6.208947 6.677583 5.269801 6.970363 6.197488 7.806402 4.152659 8.879202 2.205329 9.251573 10.053471 1.091396 3.247087 3.232907 2.161364 4.614369 4.594369 5.230406 5.007590 6.791863 5.348445 7.967100 7.204829 6.599100 5.690818 5.982906 7.257608 7.907043 2.389384 9.553222 8.574671 10.196937 9.984629 10.337999 10.955628 1.768156 0.000000 2.767157 3.088084 5.512514 5.110631 4.296538 3.686079 6.242820 5.788376 4.828264 2.892801 5.300608 2.878859 5.417218 6.300706 4.195064 2.133164 3.273636 4.351632 1.095382 3.982439 4.740434 4.900044 4.177166 3.825547 7.085508 6.125000 6.694770 6.197584 5.337012 6.717127 5.241608 3.279873 5.262948 4.999884 6.499327 6.531827 6.179011 7.273104 4.565437 5.048168 0.000000 3.432130 3.070104 5.452553 5.903977 5.233562 4.665703 7.224486 6.166119 6.050321 3.463479 6.467009 2.883183 6.253094 7.624949 4.234263 2.125489 3.233624 4.321826 1.095535 3.902706 4.116572 3.824373 4.813993 5.079815 8.023104 7.328650 7.583948 6.498258 5.461647 7.096297 6.628002 2.764453 6.096628 5.598867 7.259586 7.993886 7.518667 8.501990 4.961789 4.810921 1.756116 0.000000 4.038222 4.460582 5.130457 6.840760 6.061740 5.410358 7.975489 7.405290 6.558849 4.446858 6.911248 3.532005 6.891345 7.805667 4.561081 2.150186 2.728738 4.145462 1.090210 2.810925 3.249092 3.530438 5.858272 5.492982 8.844516 7.844303 8.356141 7.730193 6.858664 8.359612 6.953992 3.893616 6.551639 6.478940 7.957076 8.061414 7.518731 8.781441 5.153616 5.370356 1.777352 1.776248 0.000000 4.946510 6.160810 3.930871 8.265834 7.710360 6.750188 9.160656 8.936011 8.128634 5.854642 8.635775 4.231462 8.885288 9.357320 4.506002 2.807821 2.138548 3.415424 2.991792 1.096583 2.128774 3.214819 7.740283 6.525613 10.148611 8.888917 9.362630 9.056926 8.548970 9.967622 8.261992 4.913307 8.564373 8.573251 9.976756 9.392218 9.052465 10.410478 4.971514 5.364671 3.616908 3.840842 2.349706 0.000000 5.374000 6.891334 2.658918 8.937519 8.649236 7.468439 9.720789 9.517683 9.194389 6.514204 9.877914 4.455269 10.235166 10.643036 4.127554 3.381694 2.121412 2.687657 4.185822 1.095888 2.126778 3.251980 8.762590 7.178068 10.770664 9.482182 9.730498 9.439492 9.201662 10.595580 9.225671 5.175301 10.031015 9.864872 11.328428 10.572880 10.443611 11.709356 4.557626 4.829776 4.879458 4.951200 3.837408 1.748707 0.000000 6.788052 7.667147 4.514878 10.233135 9.740482 8.787259 11.257976 10.646469 10.328292 7.650590 10.791220 5.677422 10.823129 11.614832 5.740804 4.381217 3.497952 4.429005 4.614790 2.194735 1.088603 2.090110 9.594649 8.726022 12.239234 11.121900 11.384883 10.686944 10.103704 11.689202 10.578136 6.031160 10.453773 10.377938 11.885846 11.752958 11.278442 12.629532 6.473098 6.247488 5.551578 5.004559 3.932110 2.522080 2.477176 0.000000 6.807810 7.095003 5.044869 10.056347 9.656606 8.786531 11.266100 10.129693 10.506282 7.432149 10.972065 5.490448 10.761782 12.027107 5.723526 4.516078 4.043657 4.784589 4.699196 3.519853 2.106331 1.085260 9.296558 9.006391 12.177506 11.361169 11.359260 10.136674 9.415107 11.128634 10.943375 5.391110 10.481898 10.110207 11.756460 12.311977 11.795782 12.955443 6.712058 5.892262 5.788799 4.556255 4.346263 4.110214 4.137114 2.419503 0.000000 5.042076 5.395836 3.886081 8.310010 8.032502 7.073688 9.497844 8.364265 8.977175 5.687841 9.573252 3.683244 9.464769 10.704774 3.997178 2.908245 2.657629 3.320020 3.374341 2.829389 2.120115 1.085779 7.728778 7.321264 10.419209 9.636869 9.547345 8.324374 7.699964 9.385656 9.389034 3.555405 9.328468 8.773207 10.468090 10.940991 10.601754 11.632550 5.026950 4.178750 4.450655 3.235183 3.406592 3.555635 3.619664 3.074294 1.848971 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:.4497,-.9836,-.2835;-.55,-.557,1.7023;4.9287,-1.513,-1.3032;-3.0918,-1.6722,.1823;-3.1397,-.1655,.2362;-1.8722,-.8638,-.2833;-3.8386,-2.42,-.9072;-3.0408,-2.4311,1.4943;-3.9388,.6649,-.691;-.6325,-.7802,.509;-4.5752,1.8114,-.4011;1.7776,-.9123,.3077;-4.5927,2.4735,.9518;-5.3545,2.5495,-1.4603;2.7057,-1.9096,-.3818;2.3948,.4485,.055;3.5921,.3448,-.56;3.8949,-1.0721,-.8177;1.7065,1.685,.5106;4.5476,1.4407,-.9196;5.4395,1.91,.2067;5.3929,1.5128,1.4766;-3.0096,.2289,1.2373;-1.713,-.8501,-1.3544;-4.8895,-2.5448,-.6249;-3.8066,-1.9102,-1.8712;-3.4065,-3.4169,-1.0411;-2.518,-3.3854,1.3684;-2.5399,-1.8694,2.2824;-4.0609,-2.6503,1.8268;-4.0059,.299,-1.7124;1.6873,-1.0954,1.3793;-4.196,3.4934,.8794;-4.0173,1.9419,1.71;-5.6236,2.5672,1.3144;-5.3233,2.0399,-2.4265;-4.9616,3.565,-1.5945;-6.4051,2.6597,-1.1641;2.2297,-2.3398,-1.2668;3.0258,-2.7298,.2631;.7036,1.7485,.0747;1.5732,1.6581,1.5977;2.2617,2.5859,.2485;3.9984,2.3062,-1.3093;5.1851,1.0969,-1.742;6.1787,2.6522,-.0896;6.0803,1.9162,2.2131;4.6772,.7755,1.8274; 0.4793783 0.1196819 0.1067683 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= 655 652 655 655 655 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= 1.61D-06 NBF= 640 NBsUse= 639 1.00D-06 EigRej= 6.11D-07 NBFU= 639 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= 655 655 655 655 655 MxSgAt= 48 MxSgA2= 48. 1 -2.01422030e+00 1.00598775e+00 -2.34070373e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 8 8 8 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 -0.001441225 0.010554742 0.006983719 -0.000596175 -0.013851491 -0.007239051 -0.015290376 0.003547537 0.008557959 0.002764982 -0.003103767 0.005585818 0.005634986 -0.001245234 -0.006996619 -0.007224567 0.005270113 -0.000514853 0.001344517 0.003103606 0.002990268 -0.000435763 -0.004231631 0.000298066 -0.001719544 0.001608594 0.001252032 0.011311771 0.004569439 0.002453198 0.000787125 0.000380402 -0.000799019 -0.008529059 -0.004525897 -0.001777037 0.000102268 -0.003567845 -0.001141654 0.001518205 0.003056650 -0.000376725 0.000722254 -0.002454091 0.005278259 0.003350430 -0.001610079 -0.003884377 -0.002575596 0.002653032 0.001533899 0.010228685 -0.001276170 -0.006411807 0.000922398 0.000823154 -0.003117505 -0.000288655 0.003544616 -0.000485531 -0.002135824 0.001332923 -0.001960156 -0.000298080 -0.004243627 -0.000904936 -0.001289418 0.000220915 0.000711152 -0.001285385 -0.000978295 -0.000409390 0.001982330 -0.001064896 -0.000154460 0.000129879 0.001150747 -0.000765581 -0.001360922 -0.000696947 0.001687553 -0.001510829 0.000212003 0.001776117 -0.001623055 0.000387053 -0.002000881 0.002266806 -0.000230643 0.000660807 -0.000146367 0.000393829 0.000708257 0.002447594 0.000396772 -0.000102046 -0.000374582 0.000962111 -0.002317994 -0.001011855 -0.000903142 0.000711195 0.002388862 -0.000058426 0.000312382 -0.000694028 0.001372998 0.001204417 -0.000356247 0.000116988 -0.002503773 0.002323838 -0.000929184 0.000335426 0.000693664 0.000738031 -0.000575950 -0.001140765 -0.000535958 0.000395155 0.002161365 0.000123262 0.001600396 0.000587129 -0.002174948 0.000258988 -0.001237717 0.000896550 -0.000798449 0.001215123 0.000445759 -0.001033513 -0.000857070 -0.000002487 0.001785856 -0.001200073 0.001123938 -0.000951878 -0.001329814 -0.001098832 -0.000941837 0.001068784 -0.000202177 0.001084102 0.015290376 0.003384643 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -965.648556371296 -965.648557229334 -0.000000858038 -965.648557235896 -0.000000006562 -965.648557239427 -0.000000003531 -965.648557240083 -0.000000000657 -965.648557239978 0.000000000105 -965.648557240060 -0.000000000081 -965.648557240104 -0.000000000045 -965.648557240 8 9.613126674482e+02 -5.793964189466e+03 2.093618808715e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414688210 LenY= 1414249304 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) PT137313.300S Wed Oct 9 22:49:03 2024 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 0.176505 -0.327418 -0.416541 0.356870 0.591162 -0.014145 -0.599777 -0.588061 -0.160557 -0.513408 0.091922 -0.766814 -0.776840 -0.640657 -0.390688 0.674229 1.202606 -0.329136 -0.619001 -0.906948 0.038479 -0.498172 0.165380 0.180068 0.155915 0.146823 0.158750 0.155046 0.160987 0.157644 0.131709 0.230912 0.164104 0.147290 0.158364 0.146657 0.154641 0.158128 0.228078 0.217481 0.189510 0.198462 0.173251 0.187178 0.185810 0.159268 0.154688 0.150244 -0.00000 -19.17477 -19.11820 -19.11811 -10.31126 -10.26408 -10.24350 -10.20736 -10.19913 -10.18765 -10.18576 -10.18494 -10.17857 -10.17829 -10.17823 -10.17667 -10.16962 -10.16200 -10.15964 -10.15823 -10.15696 -10.15658 -10.15527 -1.11295 -1.04793 -1.02882 -0.88507 -0.87200 -0.80729 -0.80278 -0.76249 -0.74566 -0.73323 -0.70991 -0.69093 -0.68730 -0.68078 -0.67212 -0.63065 -0.57979 -0.56663 -0.56152 -0.55535 -0.53587 -0.51596 -0.49945 -0.49027 -0.47911 -0.47428 -0.46919 -0.46487 -0.45286 -0.45201 -0.44099 -0.43051 -0.42837 -0.42372 -0.42031 -0.41515 -0.40701 -0.39872 -0.39772 -0.39151 -0.38935 -0.38248 -0.38062 -0.37967 -0.37609 -0.37279 -0.36715 -0.36352 -0.35679 -0.35210 -0.34917 -0.32781 -0.32051 -0.31266 -0.29431 -0.28175 -0.27025 -0.26583 -0.26006 -0.22761 -0.06023 -0.01602 0.00088 0.00353 0.01092 0.01546 0.01720 0.02147 0.02426 0.02953 0.03099 0.03504 0.04125 0.04277 0.04676 0.05058 0.05221 0.05654 0.05813 0.05980 0.06458 0.06751 0.07009 0.07192 0.07316 0.07827 0.08153 0.08408 0.08821 0.09200 0.09392 0.09719 0.09892 0.10528 0.10581 0.10817 0.11067 0.11638 0.11900 0.12470 0.12696 0.12787 0.13096 0.13332 0.13660 0.13840 0.14236 0.14358 0.14573 0.14965 0.15271 0.15501 0.15821 0.16063 0.16473 0.16922 0.17127 0.17615 0.17717 0.18201 0.18283 0.18714 0.19087 0.19455 0.19596 0.19709 0.19786 0.20089 0.20412 0.20633 0.20831 0.21201 0.21335 0.21586 0.21790 0.22106 0.22523 0.22783 0.22824 0.23257 0.23378 0.23692 0.23954 0.24266 0.24416 0.24710 0.24774 0.24991 0.25174 0.25340 0.25930 0.25980 0.26303 0.26564 0.26883 0.27317 0.27547 0.28123 0.28402 0.28548 0.28658 0.28903 0.29345 0.29687 0.29861 0.29929 0.30427 0.30747 0.31116 0.31302 0.31984 0.32225 0.32892 0.33136 0.33371 0.33712 0.34657 0.35375 0.35725 0.35908 0.36181 0.36252 0.37406 0.37436 0.37868 0.38323 0.39038 0.39425 0.40098 0.40242 0.40928 0.41709 0.42786 0.43046 0.43445 0.44171 0.44318 0.45184 0.45441 0.46212 0.46276 0.47338 0.47871 0.48653 0.48973 0.49799 0.50864 0.51119 0.52256 0.52420 0.52723 0.53473 0.54550 0.55130 0.55805 0.56237 0.56609 0.57038 0.57473 0.58214 0.58592 0.58811 0.59728 0.60324 0.61143 0.61661 0.61935 0.62365 0.62510 0.62906 0.63709 0.63897 0.64118 0.65149 0.65663 0.65729 0.66208 0.66775 0.67004 0.67086 0.67465 0.67656 0.68544 0.68732 0.69085 0.69427 0.69761 0.70323 0.70402 0.70895 0.71261 0.72107 0.72432 0.72657 0.73284 0.73588 0.73714 0.74298 0.74414 0.74751 0.75438 0.75858 0.76485 0.77202 0.77665 0.78175 0.78335 0.78937 0.79105 0.79482 0.80501 0.81615 0.82097 0.82926 0.83255 0.84314 0.84858 0.85507 0.85765 0.88102 0.88719 0.89468 0.90786 0.91314 0.92375 0.93092 0.93757 0.94165 0.95060 0.96087 0.98531 0.99671 1.00733 1.00963 1.01769 1.03092 1.04441 1.05725 1.06775 1.08651 1.09008 1.09481 1.10551 1.11353 1.11685 1.13106 1.14454 1.15454 1.16044 1.17088 1.18364 1.18510 1.20164 1.21993 1.22140 1.23453 1.24612 1.27095 1.28118 1.28561 1.29644 1.31042 1.32371 1.33143 1.35355 1.36182 1.36439 1.37956 1.38170 1.40396 1.40820 1.41357 1.42274 1.43468 1.43974 1.44456 1.45449 1.46210 1.46468 1.47128 1.47172 1.47555 1.47853 1.49510 1.50326 1.50491 1.51175 1.51434 1.51925 1.52658 1.53919 1.55000 1.55871 1.56060 1.57009 1.57424 1.58610 1.58873 1.59399 1.60430 1.60828 1.61055 1.61370 1.62227 1.63071 1.63512 1.64214 1.64885 1.65588 1.66197 1.66701 1.66884 1.67943 1.68999 1.69069 1.69695 1.69969 1.70919 1.71080 1.71316 1.72024 1.72578 1.73182 1.73383 1.74306 1.75447 1.75718 1.76484 1.77483 1.78310 1.79016 1.79931 1.81095 1.81960 1.82782 1.83486 1.84423 1.85326 1.85785 1.86630 1.87617 1.88240 1.89839 1.89982 1.90469 1.91807 1.92398 1.93318 1.95077 1.96163 1.96526 1.97532 1.98142 2.00088 2.01100 2.01545 2.03337 2.04282 2.04648 2.06174 2.06559 2.07451 2.09215 2.09990 2.10347 2.11324 2.12267 2.12875 2.14176 2.14510 2.15778 2.16687 2.18164 2.18190 2.18902 2.19384 2.20904 2.21819 2.23153 2.23244 2.24547 2.26651 2.28741 2.29912 2.31400 2.32282 2.33092 2.34644 2.36792 2.38005 2.39009 2.40247 2.41731 2.43045 2.44251 2.45253 2.45821 2.47431 2.47605 2.48053 2.48889 2.49930 2.50895 2.51831 2.52218 2.53241 2.54164 2.54376 2.54894 2.55068 2.55742 2.56507 2.56546 2.56957 2.58818 2.58948 2.60013 2.60903 2.61523 2.62663 2.63428 2.63665 2.64643 2.65981 2.66726 2.67113 2.68105 2.69103 2.69818 2.70136 2.72884 2.73408 2.73957 2.74326 2.75305 2.75891 2.75967 2.77851 2.78609 2.79617 2.81090 2.82660 2.83627 2.84735 2.85828 2.86469 2.87437 2.87697 2.88716 2.88981 2.89530 2.90649 2.91516 2.92308 2.93785 2.94875 2.95096 2.96768 2.97329 2.99138 2.99707 3.01116 3.05013 3.05485 3.07523 3.08770 3.09024 3.10930 3.11251 3.12905 3.14685 3.15609 3.16414 3.19292 3.20983 3.21409 3.22556 3.23425 3.25450 3.26723 3.28409 3.31091 3.34397 3.36060 3.36276 3.37845 3.45877 3.50335 3.52973 3.55234 3.58368 3.61946 3.65448 3.66910 3.68905 3.70261 3.76167 3.76744 3.78143 3.80015 3.81240 3.81903 3.82900 3.83416 3.83994 3.84390 3.85221 3.85536 3.86727 3.88916 3.92679 3.98994 4.05219 4.09746 4.15330 4.17120 4.21008 4.26538 4.28036 4.30178 4.31233 4.40768 4.45124 4.53600 4.57333 4.59657 5.07600 5.10411 5.13793 5.21874 5.30080 5.39027 5.66299 5.73999 5.90914 23.65072 23.69860 23.77554 23.80872 23.83206 23.86061 23.88806 23.88930 23.90608 23.94042 23.95182 23.97426 23.99323 23.99647 23.99813 24.02518 24.20026 24.24724 24.27439 49.92974 50.02254 50.02897 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 0.149558 -0.315442 -0.419462 0.340902 0.642557 0.053101 -0.580682 -0.580324 -0.310378 -0.618969 0.201867 -0.717955 -0.789185 -0.642145 -0.402314 0.663033 1.215974 -0.311711 -0.621814 -0.945356 0.049516 -0.510195 0.163475 0.181614 0.159715 0.149180 0.161152 0.156073 0.158994 0.158953 0.130912 0.230539 0.160920 0.151714 0.163281 0.148451 0.156501 0.158311 0.227170 0.219570 0.192791 0.201131 0.175427 0.189419 0.186334 0.160636 0.156262 0.150899 -0.00000 -2.09059685e+00 1.01920488e+00 -5.33950294e-02 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -5.3138 2.5906 -0.1357 5.9132 -153.4087 -127.4661 -138.8371 14.7527 12.0953 -4.1252 -13.5047 12.4379 1.0668 14.7527 12.0953 -4.1252 -218.5090 -3.5492 -8.0523 -17.7701 105.0212 52.1724 -7.8127 4.5708 3.9198 -31.5005 -11991.8205 -2347.0354 -941.9043 468.3923 251.6405 3.2839 -29.0922 33.5445 8.1142 -2180.4912 -2007.8839 -568.0917 -138.0004 8.9742 31.3571 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -965.6485572 2.831E-9 3.632E-6 -11.6213405,2.694746,8.9265945,6.4408998,11.2932476,-4.9017552 C01 [X(C19H26O3)] 2.1773149 0.2556222 -0.7785768 0.000002581 -0.000003166 -0.000008844 -0.000005626 0.000005087 -0.000004077 -0.000001088 -0.000000292 -0.000002152 0.000007170 0.000017653 0.000008589 0.000006037 -0.000005656 -0.000005586 -0.000008929 -0.000008784 -0.000005836 -0.000005119 -0.000002094 0.000001986 -0.000001837 -0.000005792 -0.000003708 -0.000002431 0.000001655 0.000003622 0.000000520 0.000004422 0.000016203 0.000000340 0.000002031 0.000003134 0.000000166 -0.000002898 0.000001485 0.000000040 -0.000003312 -0.000001880 0.000000451 -0.000000480 -0.000000247 -0.000002050 0.000004487 0.000001180 -0.000004429 0.000004415 -0.000002338 0.000000318 -0.000004788 0.000006139 0.000008288 0.000001092 -0.000008094 0.000000819 -0.000002953 -0.000001912 0.000002110 0.000005548 -0.000000913 -0.000001102 -0.000005358 -0.000002237 0.000000488 -0.000000374 -0.000001743 0.000000036 0.000000352 0.000003341 0.000002030 0.000002437 -0.000000617 -0.000003553 0.000000313 0.000001277 -0.000000471 -0.000001468 0.000000382 -0.000000746 0.000002138 -0.000001279 0.000000987 0.000001272 0.000001082 -0.000000615 0.000002139 0.000004009 -0.000002804 0.000002290 0.000000417 0.000000812 -0.000000822 -0.000000327 0.000000753 0.000000278 -0.000001857 0.000001874 -0.000001480 0.000003532 0.000000270 -0.000000022 0.000002096 -0.000000443 0.000000444 0.000002461 0.000000243 -0.000002678 -0.000000235 0.000001339 -0.000002063 0.000002624 -0.000001477 -0.000000060 0.000001181 -0.000001546 -0.000000361 -0.000002106 -0.000000780 0.000000275 -0.000003202 -0.000000277 -0.000000282 0.000000324 0.000001141 0.000001480 0.000001225 0.000001525 -0.000001516 0.000000597 -0.000000563 -0.000003562 -0.000001451 0.000001803 -0.000001299 -0.000003273 0.000001974 -0.000000587 -0.000000670 0.000001831 0.000000906 -0.000000829 -0.000000061 0.000001431 -0.000001472 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:-.4343,-.002,.9593;.5696,-1.8222,.0627;-4.9267,1.0102,1.3786;3.0196,-.7941,1.782;3.2072,-.4155,.3339;1.8883,-.0654,1.0424;3.7101,.0027,2.8738;2.8772,-2.2654,2.1214;4.0949,.6764,-.1214;.6496,-.7476,.628;4.8311,.7012,-1.2443;-1.7588,-.4916,.6074;4.8893,-.4045,-2.2657;5.6926,1.8938,-1.5752;-2.7652,-.0788,1.6789;-2.242,.1665,-.6694;-3.434,.7757,-.4942;-3.8639,.6286,.9055;-1.4484,.0562,-1.9216;-4.2771,1.4743,-1.5162;-5.1387,.5685,-2.3655;-5.1494,-.7628,-2.3504;3.0989,-1.255,-.3429;1.7479,.9703,1.3258;4.7402,-.3474,3.0004;3.7411,1.0729,2.6642;3.1889,-.137,3.8263;2.2695,-2.3966,3.0233;2.4187,-2.8374,1.3152;3.867,-2.6893,2.3208;4.1435,1.5462,.5288;-1.7029,-1.5735,.4794;4.5909,-.0259,-3.2509;4.2549,-1.2584,-2.0273;5.9186,-.768,-2.3724;5.629,2.6737,-.8123;5.3984,2.3301,-2.5379;6.744,1.5978,-1.6767;-2.3177,.6248,2.3857;-3.1707,-.9178,2.247;-.4372,.4495,-1.7708;-1.3353,-.9975,-2.1993;-1.9128,.5888,-2.7518;-3.6434,2.0724,-2.1818;-4.931,2.1896,-1.0045;-5.8006,1.096,-3.0501;-5.8076,-1.3231,-3.0067;-4.5114,-1.3401,-1.6882; Gaussian 16 GINC-HAMILTON26 APULGAR Optimization Bioallethrin CONF147 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:-.4343,-.002,.9593;.5696,-1.8222,.0627;-4.9267,1.0102,1.3786;3.0196,-.7941,1.782;3.2072,-.4155,.3339;1.8883,-.0654,1.0424;3.7101,.0027,2.8738;2.8772,-2.2654,2.1214;4.0949,.6764,-.1214;.6496,-.7476,.628;4.8311,.7012,-1.2443;-1.7588,-.4916,.6074;4.8893,-.4045,-2.2657;5.6926,1.8938,-1.5752;-2.7652,-.0788,1.6789;-2.242,.1665,-.6694;-3.434,.7757,-.4942;-3.8639,.6286,.9055;-1.4484,.0562,-1.9216;-4.2771,1.4743,-1.5162;-5.1387,.5685,-2.3655;-5.1494,-.7628,-2.3504;3.0989,-1.255,-.3429;1.7479,.9703,1.3258;4.7402,-.3474,3.0004;3.7411,1.0729,2.6642;3.1889,-.137,3.8263;2.2695,-2.3966,3.0233;2.4187,-2.8374,1.3152;3.867,-2.6893,2.3208;4.1435,1.5462,.5288;-1.7029,-1.5735,.4794;4.5909,-.0259,-3.2509;4.2549,-1.2584,-2.0273;5.9186,-.768,-2.3724;5.629,2.6737,-.8123;5.3984,2.3301,-2.5379;6.744,1.5978,-1.6767;-2.3177,.6248,2.3857;-3.1707,-.9178,2.247;-.4372,.4495,-1.7708;-1.3353,-.9975,-2.1993;-1.9128,.5888,-2.7518;-3.6434,2.0724,-2.1818;-4.931,2.1896,-1.0045;-5.8006,1.096,-3.0501;-5.8076,-1.3231,-3.0067;-4.5114,-1.3401,-1.6882; Optimization Bioallethrin CONF147 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 20 21 21 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 45 22 46 47 48 1.3566 1.4553 1.2169 1.2243 1.5085 1.5355 1.5178 1.5166 1.5376 1.4791 1.0838 1.4736 1.0829 1.0952 1.091 1.0947 1.0954 1.0897 1.0951 1.343 1.087 1.5064 1.508 1.5269 1.5155 1.0909 1.0968 1.0902 1.0968 1.0928 1.0971 1.097 1.5184 1.0931 1.0914 1.3501 1.4866 1.4716 1.4978 1.0954 1.0955 1.0902 1.5113 1.0966 1.0959 1.3314 1.0886 1.0853 1.0858 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 17 21 21 44 20 20 22 21 21 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 20 20 20 21 21 21 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 45 44 45 45 22 46 46 47 48 48 118.8949 120.1452 118.0325 115.6277 119.9347 113.0164 123.7426 113.1212 119.2433 112.2363 116.0784 122.348 115.0468 119.0818 116.7181 114.0393 110.0718 112.9303 110.0142 108.0016 107.8492 107.8116 110.6461 112.5307 109.3552 108.2303 107.7656 108.1686 126.87 115.6836 117.4458 123.1137 110.3954 126.4902 125.0701 120.7432 114.1866 109.8289 110.3549 108.3795 105.289 112.6 110.3761 110.1926 113.8416 110.2078 107.9662 106.3995 107.9289 112.2092 110.726 110.7572 108.2535 108.2334 106.4443 104.2083 110.9745 113.7268 109.0105 110.7581 108.0752 111.6012 120.4782 127.8876 109.6465 128.2394 122.0855 125.208 126.1517 108.6403 110.4984 109.8766 112.1989 106.5555 108.8218 108.7113 115.1355 110.0755 108.766 108.3784 108.2635 105.8024 126.6945 114.1779 119.1268 120.9516 122.2644 116.7838 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 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 16 18 18 18 17 17 44 44 45 45 20 20 46 46 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 17 17 20 20 20 20 20 20 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 20 20 21 21 21 21 21 21 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 45 21 44 45 22 46 22 46 22 46 47 48 47 48 -1.0176 178.6916 145.9811 -98.3762 22.5946 2.9746 152.2963 -142.255 7.0667 -141.5254 4.3897 -0.5707 145.3444 -83.0539 37.7321 158.2345 -152.5884 -31.8023 88.7 63.7899 -175.424 -54.9217 -151.1889 -29.9744 90.2592 -80.6858 40.5286 160.7622 61.2104 -177.5752 -57.3416 133.2237 -10.0783 -7.4168 -150.7188 144.5925 -35.6917 -143.1024 36.6134 -3.9127 175.8031 133.5278 -46.7752 -156.9301 22.7669 -12.6968 167.0002 -0.0969 179.9677 -179.8083 0.2563 122.2503 0.7941 -120.625 -57.8105 -179.2668 59.3141 0.1531 -120.9259 121.2283 -179.7889 59.132 -58.7137 126.4449 9.2559 -112.848 7.6356 -109.5534 128.3427 -112.6804 130.1305 8.0266 -124.3878 57.5414 -5.9308 175.9983 115.8398 -62.231 172.9394 -7.1321 -68.5199 111.4085 50.2656 -129.8059 1.4281 -176.6326 179.3214 1.2607 -57.6447 59.6545 -179.2839 124.6282 -118.0727 2.989 -176.3165 3.7559 1.8858 -178.0418 81.6761 -41.1624 -156.6545 -96.1681 140.9934 25.5013 -4.7764 175.5697 118.9636 -60.6904 -126.7172 53.6289 -179.7847 0.3996 -0.1461 -179.9618 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00073 0.00112 0.00122 0.00143 0.00165 0.00188 0.00217 0.00228 0.00253 0.00303 0.00718 0.00822 0.01259 0.01423 0.01485 0.01788 0.01866 0.01909 0.01931 0.01971 0.02116 0.02407 0.02435 0.02801 0.02956 0.03148 0.03547 0.03745 0.03860 0.04002 0.04398 0.04456 0.04507 0.04572 0.04602 0.04684 0.04849 0.05323 0.05403 0.05453 0.05568 0.05611 0.05789 0.05929 0.06184 0.06275 0.06453 0.06687 0.06726 0.08537 0.08879 0.09710 0.10304 0.11155 0.11913 0.11991 0.12085 0.12189 0.12262 0.12285 0.12464 0.13179 0.13203 0.13357 0.13698 0.13954 0.14009 0.14084 0.14315 0.14453 0.14787 0.14869 0.15195 0.15654 0.15944 0.16987 0.17082 0.17929 0.18116 0.18660 0.18840 0.19662 0.20411 0.20802 0.21285 0.21484 0.22575 0.23117 0.23398 0.23660 0.25566 0.26051 0.27164 0.27867 0.28485 0.29896 0.30801 0.31505 0.31612 0.31844 0.32157 0.32227 0.32235 0.32352 0.32370 0.32606 0.32727 0.32742 0.32852 0.32978 0.33192 0.33327 0.33482 0.33541 0.33691 0.33879 0.33988 0.34183 0.34228 0.34374 0.34408 0.34644 0.34712 0.34779 0.34815 0.35104 0.35144 0.35509 0.35636 0.35835 0.38646 0.39256 0.45852 0.53543 0.61504 0.61983 0.76287 0.79979 Angle between quadratic step and forces= 78.09 degrees. 1 2 0.00085894 0.00000038 0.00000019 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 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 D113 D114 2.56365 2.75014 2.29957 2.31357 2.85061 2.90177 2.86830 2.86593 2.90565 2.79510 2.04803 2.78471 2.04643 2.06968 2.06168 2.06867 2.06999 2.05918 2.06937 2.53789 2.05419 2.84660 2.84966 2.88534 2.86382 2.06153 2.07258 2.06019 2.07269 2.06505 2.07319 2.07308 2.86942 2.06570 2.06244 2.55126 2.80931 2.78100 2.83039 2.06997 2.07026 2.06020 2.85600 2.07224 2.07093 2.51595 2.05716 2.05084 2.05183 2.07511 2.09693 2.06006 2.01808 2.09326 1.97251 2.15972 1.97434 2.08119 1.95889 2.02595 2.13537 2.00794 2.07837 2.03712 1.99036 1.92111 1.97101 1.92011 1.88498 1.88232 1.88167 1.93114 1.96403 1.90861 1.88898 1.88086 1.88790 2.21430 2.01906 2.04982 2.14874 1.92676 2.20767 2.18289 2.10737 1.99293 1.91688 1.92606 1.89158 1.83764 1.96524 1.92643 1.92322 1.98691 1.92349 1.88437 1.85702 1.88371 1.95842 1.93253 1.93308 1.88938 1.88903 1.85780 1.81878 1.93687 1.98491 1.90259 1.93309 1.88627 1.94781 2.10274 2.23206 1.91369 2.23820 2.13079 2.18529 2.20176 1.89613 1.92856 1.91771 1.95824 1.85974 1.89930 1.89737 2.00949 1.92118 1.89832 1.89156 1.88955 1.84660 2.21124 1.99278 2.07915 2.11100 2.13392 2.03826 -0.01776 3.11876 2.54785 -1.71699 0.39435 0.05192 2.65807 -2.48282 0.12334 -2.47008 0.07661 -0.00996 2.53674 -1.44956 0.65855 2.76171 -2.66317 -0.55506 1.54811 1.11334 -3.06173 -0.95856 -2.63874 -0.52315 1.57532 -1.40823 0.70736 2.80583 1.06832 -3.09927 -1.00080 2.32519 -0.17590 -0.12945 -2.63054 2.52362 -0.62294 -2.49761 0.63902 -0.06829 3.06834 2.33050 -0.81638 -2.73895 0.39736 -0.22160 2.91470 -0.00169 3.14103 -3.13825 0.00447 2.13367 0.01386 -2.10530 -1.00898 -3.12880 1.03523 0.00267 -2.11056 2.11583 -3.13791 1.03205 -1.02475 2.20688 0.16155 -1.96957 0.13327 -1.91207 2.24000 -1.96664 2.27121 0.14009 -2.17098 1.00429 -0.10351 3.07175 2.02179 -1.08614 3.01836 -0.12448 -1.19590 1.94445 0.87730 -2.26554 0.02492 -3.08282 3.12975 0.02200 -1.00609 1.04117 -3.12909 2.17517 -2.06076 0.05217 -3.07730 0.06555 0.03291 -3.10742 1.42552 -0.71842 -2.73414 -1.67845 2.46080 0.44508 -0.08336 3.06427 2.07631 -1.05925 -2.21163 0.93600 -3.13783 0.00697 -0.00255 -3.14093 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -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 -0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00003 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00004 0.00002 -0.00000 -0.00001 -0.00001 -0.00002 0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 0.00000 -0.00001 -0.00000 -0.00002 -0.00001 0.00000 -0.00001 -0.00001 0.00001 -0.00002 -0.00000 -0.00001 -0.00001 -0.00001 -0.00000 0.00000 0.00010 -0.00010 0.00002 -0.00004 0.00001 0.00002 -0.00002 -0.00003 0.00001 0.00002 0.00002 -0.00006 0.00008 -0.00004 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 -0.00002 0.00002 -0.00000 -0.00002 0.00001 0.00000 -0.00000 0.00001 -0.00000 -0.00002 -0.00008 0.00000 0.00002 0.00005 0.00003 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00001 0.00006 -0.00007 0.00007 -0.00007 0.00000 0.00000 -0.00007 0.00007 0.00001 0.00004 -0.00004 -0.00001 -0.00002 0.00002 -0.00003 0.00000 0.00003 -0.00001 -0.00001 0.00003 -0.00006 0.00004 0.00001 0.00001 -0.00001 0.00002 -0.00003 0.00001 0.00002 0.00001 -0.00002 0.00001 0.00009 0.00003 -0.00013 -0.00016 -0.00018 -0.00003 -0.00000 -0.00006 -0.00003 0.00020 0.00013 0.00019 0.00013 -0.00045 -0.00045 -0.00045 -0.00049 -0.00049 -0.00049 -0.00046 -0.00046 -0.00046 -0.00049 -0.00048 -0.00048 -0.00055 -0.00054 -0.00054 -0.00055 -0.00054 -0.00054 -0.00003 -0.00008 -0.00002 -0.00007 0.00032 0.00030 0.00031 0.00029 0.00030 0.00028 -0.00042 -0.00048 -0.00037 -0.00043 -0.00034 -0.00040 -0.00001 -0.00002 0.00002 0.00000 0.00008 0.00008 0.00007 0.00010 0.00010 0.00009 0.00011 0.00011 0.00011 0.00010 0.00010 0.00010 -0.00047 -0.00058 -0.00058 -0.00038 -0.00049 -0.00049 -0.00044 -0.00056 -0.00056 0.00037 0.00028 0.00032 0.00023 0.00041 0.00032 0.00026 0.00032 0.00037 0.00043 0.00037 0.00043 -0.00012 -0.00008 -0.00003 0.00002 -0.00038 -0.00041 -0.00036 -0.00048 -0.00052 -0.00046 -0.00007 -0.00013 -0.00011 -0.00017 0.00107 0.00107 0.00102 0.00112 0.00112 0.00107 -0.00017 -0.00016 -0.00016 -0.00014 -0.00013 -0.00012 0.00003 0.00004 0.00002 0.00003 -0.00003 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00004 0.00002 -0.00000 -0.00001 -0.00001 -0.00002 0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 0.00000 -0.00001 -0.00000 -0.00002 -0.00001 0.00000 -0.00001 -0.00001 0.00001 -0.00002 -0.00000 -0.00001 -0.00001 -0.00001 -0.00000 0.00000 0.00010 -0.00010 0.00002 -0.00004 0.00001 0.00002 -0.00002 -0.00003 0.00001 0.00002 0.00002 -0.00006 0.00008 -0.00004 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 -0.00002 0.00002 -0.00000 -0.00002 0.00001 0.00000 -0.00000 0.00001 -0.00000 -0.00002 -0.00008 0.00000 0.00002 0.00005 0.00003 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00001 0.00006 -0.00007 0.00007 -0.00007 0.00000 0.00000 -0.00007 0.00007 0.00001 0.00004 -0.00004 -0.00001 -0.00002 0.00002 -0.00003 0.00000 0.00003 -0.00001 -0.00001 0.00003 -0.00006 0.00004 0.00001 0.00001 -0.00001 0.00002 -0.00003 0.00001 0.00002 0.00001 -0.00002 0.00001 0.00009 0.00003 -0.00013 -0.00016 -0.00018 -0.00003 -0.00000 -0.00006 -0.00003 0.00020 0.00013 0.00019 0.00013 -0.00045 -0.00045 -0.00045 -0.00049 -0.00049 -0.00049 -0.00046 -0.00046 -0.00046 -0.00049 -0.00048 -0.00048 -0.00055 -0.00054 -0.00054 -0.00055 -0.00054 -0.00054 -0.00003 -0.00008 -0.00002 -0.00007 0.00032 0.00030 0.00031 0.00029 0.00030 0.00028 -0.00042 -0.00048 -0.00037 -0.00043 -0.00034 -0.00040 -0.00001 -0.00002 0.00002 0.00000 0.00008 0.00008 0.00007 0.00010 0.00010 0.00009 0.00011 0.00011 0.00011 0.00010 0.00010 0.00010 -0.00047 -0.00058 -0.00058 -0.00038 -0.00049 -0.00049 -0.00044 -0.00056 -0.00056 0.00037 0.00028 0.00032 0.00023 0.00041 0.00032 0.00026 0.00032 0.00037 0.00043 0.00037 0.00043 -0.00012 -0.00008 -0.00003 0.00002 -0.00038 -0.00041 -0.00036 -0.00048 -0.00052 -0.00046 -0.00007 -0.00013 -0.00011 -0.00017 0.00107 0.00107 0.00102 0.00112 0.00112 0.00107 -0.00017 -0.00016 -0.00016 -0.00014 -0.00013 -0.00012 0.00003 0.00004 0.00002 0.00003 2.56362 2.75015 2.29957 2.31357 2.85061 2.90177 2.86826 2.86595 2.90565 2.79509 2.04802 2.78469 2.04644 2.06967 2.06167 2.06866 2.06999 2.05917 2.06937 2.53789 2.05419 2.84660 2.84965 2.88534 2.86382 2.06153 2.07257 2.06018 2.07269 2.06504 2.07318 2.07307 2.86941 2.06569 2.06244 2.55125 2.80930 2.78098 2.83038 2.06998 2.07025 2.06019 2.85601 2.07222 2.07092 2.51594 2.05716 2.05084 2.05182 2.07511 2.09703 2.05996 2.01811 2.09321 1.97252 2.15973 1.97432 2.08115 1.95890 2.02597 2.13540 2.00789 2.07845 2.03707 1.99036 1.92111 1.97100 1.92011 1.88499 1.88232 1.88167 1.93114 1.96403 1.90860 1.88898 1.88086 1.88790 2.21428 2.01908 2.04981 2.14872 1.92678 2.20767 2.18288 2.10737 1.99293 1.91686 1.92597 1.89158 1.83766 1.96529 1.92645 1.92322 1.98691 1.92348 1.88437 1.85702 1.88373 1.95841 1.93253 1.93308 1.88939 1.88903 1.85780 1.81879 1.93693 1.98484 1.90266 1.93303 1.88627 1.94781 2.10268 2.23213 1.91370 2.23823 2.13075 2.18529 2.20175 1.89615 1.92853 1.91771 1.95827 1.85973 1.89929 1.89740 2.00943 1.92122 1.89833 1.89157 1.88955 1.84662 2.21121 1.99279 2.07917 2.11101 2.13390 2.03828 -0.01767 3.11879 2.54772 -1.71715 0.39417 0.05188 2.65807 -2.48288 0.12331 -2.46989 0.07675 -0.00977 2.53686 -1.45002 0.65810 2.76126 -2.66366 -0.55554 1.54762 1.11288 -3.06219 -0.95903 -2.63923 -0.52363 1.57484 -1.40878 0.70682 2.80529 1.06777 -3.09981 -1.00134 2.32517 -0.17598 -0.12947 -2.63061 2.52394 -0.62264 -2.49730 0.63931 -0.06799 3.06862 2.33008 -0.81686 -2.73932 0.39692 -0.22194 2.91431 -0.00170 3.14101 -3.13823 0.00448 2.13375 0.01394 -2.10523 -1.00889 -3.12870 1.03531 0.00278 -2.11044 2.11595 -3.13781 1.03215 -1.02465 2.20641 0.16096 -1.97015 0.13289 -1.91256 2.23951 -1.96709 2.27065 0.13953 -2.17060 1.00457 -0.10319 3.07199 2.02219 -1.08582 3.01862 -0.12416 -1.19553 1.94487 0.87767 -2.26511 0.02480 -3.08290 3.12972 0.02202 -1.00647 1.04075 -3.12945 2.17469 -2.06127 0.05171 -3.07738 0.06542 0.03280 -3.10759 1.42658 -0.71735 -2.73312 -1.67733 2.46192 0.44615 -0.08353 3.06411 2.07615 -1.05939 -2.21176 0.93588 -3.13781 0.00701 -0.00253 -3.14090 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000011 0.000002 0.005189 0.000859 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -1.390029e-08 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 662 A 640 A 640 1000 662 82 82 1773.4311813410 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 -0.0482748527 PCM SMD-Coulomb. Total charges None Matrix inversion n-Octanol 9.862900 2.043470 0.000000 2.263835 0.000000 4.624037 6.321666 0.000000 3.637815 3.164683 8.158518 0.000000 3.717921 3.001536 8.323734 1.508476 0.000000 2.324934 2.405217 6.907493 1.535550 1.537604 0.000000 4.565295 4.592973 8.823009 1.517839 2.622785 2.584167 0.000000 4.176069 3.124023 8.495994 1.516587 2.593430 2.642375 2.530604 0.000000 4.705523 4.324902 9.151512 2.634755 1.479103 2.602696 3.094118 3.894529 0.000000 1.356626 1.216877 5.894714 2.636452 2.595837 1.473604 3.869591 3.081619 3.802601 0.000000 5.751136 5.122162 10.108929 3.830993 2.524897 3.804921 4.324807 4.893523 1.342995 4.805228 0.000000 1.455309 2.736593 3.589622 4.929968 4.974169 3.697608 5.940609 5.189562 6.013452 2.422055 6.948341 0.000000 6.237262 5.107940 10.565769 4.475679 3.096377 4.479379 5.288779 5.172830 2.529331 5.144567 1.506354 7.242910 0.000000 6.896132 6.537319 11.057762 5.063699 3.892947 5.016304 5.225004 6.236219 2.479547 6.104357 1.507974 8.122647 2.530699 0.000000 2.440638 4.095424 2.438878 5.829749 6.131245 4.696809 6.585171 6.067428 7.132482 3.634857 8.176677 1.526857 8.617252 9.274385 0.000000 2.439024 3.520839 3.480431 5.883590 5.571334 4.476985 6.928888 6.317361 6.380978 3.298488 7.116621 1.515466 7.330069 8.170805 2.418311 0.000000 3.422834 4.805055 2.406318 7.021010 6.797876 5.603169 7.936017 7.478054 7.538796 4.500604 8.299480 2.371868 8.591194 9.258158 2.428957 1.350070 0.000000 3.487501 5.135467 1.224289 7.083415 7.170631 5.795509 7.850614 7.436134 8.024926 4.726764 8.957191 2.403131 9.367098 9.953953 1.518433 2.307470 1.471642 0.000000 3.054716 3.396814 4.888739 5.865365 5.194677 4.464690 7.043394 6.359747 5.861172 3.398222 6.348803 2.606165 6.363711 7.381746 3.836093 1.486621 2.549086 3.762314 0.000000 4.803628 6.070520 3.002826 8.322622 7.937898 6.850505 9.232257 8.854495 8.524839 5.814358 9.145085 3.836158 9.386965 9.978701 3.860904 2.563040 1.497776 2.598216 3.190178 0.000000 5.788861 6.648062 3.775957 9.252896 8.826656 7.835434 10.299155 9.613420 9.503002 6.648087 10.033589 4.624397 10.075597 10.940654 4.733838 3.380695 2.539777 3.511140 3.752068 1.511331 0.000000 5.810804 6.297092 4.135031 9.154827 8.784085 7.843918 10.313623 9.310324 9.617562 6.519177 10.147845 4.507573 10.045477 11.189623 4.731560 3.484600 2.958889 3.766921 3.814758 2.541933 1.331383 0.000000 3.968565 2.623648 8.514983 2.175772 1.083769 2.190893 3.507538 2.672593 2.184414 2.683184 2.764055 5.008352 2.761535 4.261586 6.313390 5.536510 6.842956 7.320350 4.988945 7.951861 8.676093 8.503398 0.000000 2.416949 3.283587 6.674874 2.222304 2.243709 1.082926 2.680149 3.518253 2.772974 2.155083 4.023031 3.866565 4.965658 4.982927 4.646832 4.532796 5.495672 5.637858 4.647296 6.680695 7.823815 8.005696 3.092273 0.000000 5.573197 5.310213 9.895517 2.155088 3.076441 3.470795 1.095227 2.814588 3.348155 4.745664 4.373243 6.927074 5.268500 5.183254 7.625550 7.904570 8.960519 8.909043 7.917503 10.248400 11.279335 11.252016 3.833405 3.673463 0.000000 4.636364 5.020681 8.762812 2.187340 2.816100 2.712680 1.090993 3.490674 2.835797 4.125228 4.074642 6.076771 5.273007 4.738620 6.680487 6.908816 7.845120 7.818322 6.999531 9.051431 10.217753 10.370973 3.856676 2.403040 1.768709 0.000000 4.622282 4.885179 8.553944 2.153959 3.503503 3.073545 1.094692 2.744768 4.131208 4.129168 5.395438 5.913312 6.330508 6.290383 6.329770 7.056778 7.960079 7.671963 7.387820 9.320946 10.401183 10.395727 4.317431 3.091126 1.769987 1.766143 0.000000 4.159932 3.461855 8.130000 2.161347 3.469393 3.082841 2.802587 1.095392 4.760782 3.328813 5.862681 5.068872 6.229388 7.160433 5.703345 6.368626 7.413965 7.159316 6.655147 8.857185 9.628725 9.305211 3.649973 3.806570 3.210017 3.785785 2.568298 0.000000 4.038092 2.453274 8.292380 2.180341 2.729455 2.835463 3.487558 1.089671 4.149746 2.823054 4.989220 4.843154 4.984513 6.438708 5.883498 5.889378 7.112207 7.186991 5.814163 8.452373 9.069877 8.661314 2.390760 3.866386 3.798552 4.342644 3.767083 1.770335 0.000000 5.251343 4.089450 9.586606 2.144769 3.090779 3.526257 2.752631 1.095066 4.164679 4.121627 5.013490 6.278212 5.225092 6.286237 7.156317 7.376794 8.557783 8.531029 7.334116 9.918939 10.661965 10.335782 3.121290 4.344355 2.590100 3.779878 3.039791 1.769480 1.769380 0.000000 4.851685 4.933177 9.125686 2.882836 2.182443 2.819070 2.840643 4.320627 1.087032 4.180790 2.081110 6.244733 3.488673 2.635798 7.189836 6.641892 7.685034 8.068646 6.284452 8.665742 9.772063 9.999042 3.114159 2.589599 3.170168 2.223856 3.823290 5.027931 4.775875 4.607245 0.000000 2.075861 2.323695 4.228161 4.960406 5.046867 3.935427 6.125210 4.914452 6.247966 2.497620 7.130113 1.090915 7.235905 8.422356 2.191257 2.153599 3.076311 3.114663 2.912966 4.460781 4.948381 4.532553 4.882052 4.369785 7.026471 6.435305 6.098737 4.788381 4.391308 5.971531 6.626852 0.000000 6.555796 5.511527 10.634331 5.328121 3.862243 5.073246 6.187763 6.067375 3.245414 5.576760 2.147680 7.444563 1.096760 2.776152 8.855327 7.306810 8.522946 9.443900 6.184363 9.159769 9.787863 9.809556 3.491831 5.479154 6.261264 6.075925 7.215527 7.097448 5.785434 6.217803 4.117979 7.478003 0.000000 5.699731 4.274006 10.052248 4.031439 2.717251 4.055541 5.090034 4.485952 2.720632 4.506653 2.187523 6.610163 1.090203 3.494038 8.025505 6.788520 8.099827 8.836120 5.853768 8.973536 9.575571 9.422903 2.042915 4.742988 5.132556 5.263925 6.054632 5.544870 4.127556 4.593914 3.796346 6.471251 1.768915 0.000000 7.214355 5.971033 11.612602 5.066021 3.847104 5.329029 5.744099 5.629128 3.237186 6.063499 2.147917 8.240083 1.096822 2.787808 9.607121 8.388665 9.663466 10.411211 7.426664 10.474467 11.137818 11.068084 3.508136 5.838997 5.516578 5.787708 6.802473 6.714335 5.489097 5.470581 4.113828 8.177314 1.756464 1.768547 0.000000 6.860142 6.824657 10.908230 5.056204 4.089265 4.993549 4.940040 6.369712 2.611454 6.210813 2.171154 8.161769 3.483476 1.092778 9.178489 8.261925 9.265090 9.861472 7.626995 10.003270 11.080969 11.417075 4.696421 4.747232 4.945027 4.267621 5.947316 7.190691 6.723374 6.456179 2.297071 8.571056 3.783112 4.338883 3.789802 0.000000 7.189571 6.879130 11.121542 5.837926 4.537329 5.556822 6.128143 7.013143 3.205178 6.484349 2.156047 8.311504 2.794895 1.097083 9.498882 8.157764 9.198099 10.027122 7.240816 9.766924 10.684785 10.993571 4.791564 5.486700 6.186646 5.602561 7.174358 7.940970 7.101259 7.151687 3.405020 8.646984 2.590637 3.800814 3.145801 1.774480 0.000000 7.812587 7.269503 12.078300 5.617455 4.539310 5.808473 5.697069 6.656012 3.207148 6.924965 2.156395 9.048831 2.792194 1.097027 10.222345 9.154917 10.279436 10.960637 8.339796 11.023017 11.947113 12.144166 4.817139 5.862639 5.447424 5.304370 6.777286 7.620182 6.879740 6.529695 3.410229 9.276627 3.122596 3.804892 2.600454 1.774209 1.757400 0.000000 2.444283 4.440770 2.823108 5.555520 5.984691 4.468851 6.079433 5.950574 6.885441 3.711779 8.018026 2.172807 8.639178 9.025710 1.093123 3.090227 3.092439 2.140540 4.430797 4.448182 5.525881 5.689934 6.349668 4.215606 7.150928 6.081675 5.742613 5.529690 5.963740 7.016915 6.785582 2.973991 8.939928 8.137538 9.613330 8.807666 9.310656 9.978197 0.000000 3.159861 4.424831 2.748619 6.208947 6.677583 5.269801 6.970363 6.197488 7.806402 4.152659 8.879202 2.205329 9.251573 10.053471 1.091396 3.247087 3.232907 2.161364 4.614369 4.594369 5.230406 5.007590 6.791863 5.348445 7.967100 7.204829 6.599100 5.690818 5.982906 7.257608 7.907043 2.389384 9.553222 8.574671 10.196937 9.984629 10.337999 10.955628 1.768156 0.000000 2.767157 3.088084 5.512514 5.110631 4.296538 3.686079 6.242820 5.788376 4.828264 2.892801 5.300608 2.878859 5.417218 6.300706 4.195064 2.133164 3.273636 4.351632 1.095382 3.982439 4.740434 4.900044 4.177166 3.825547 7.085508 6.125000 6.694770 6.197584 5.337012 6.717127 5.241608 3.279873 5.262948 4.999884 6.499327 6.531827 6.179011 7.273104 4.565437 5.048168 0.000000 3.432130 3.070104 5.452553 5.903977 5.233562 4.665703 7.224486 6.166119 6.050321 3.463479 6.467009 2.883183 6.253094 7.624949 4.234263 2.125489 3.233624 4.321826 1.095535 3.902706 4.116572 3.824373 4.813993 5.079815 8.023104 7.328650 7.583948 6.498258 5.461647 7.096297 6.628002 2.764453 6.096628 5.598867 7.259586 7.993886 7.518667 8.501990 4.961789 4.810921 1.756116 0.000000 4.038222 4.460582 5.130457 6.840760 6.061740 5.410358 7.975489 7.405290 6.558849 4.446858 6.911248 3.532005 6.891345 7.805667 4.561081 2.150186 2.728738 4.145462 1.090210 2.810925 3.249092 3.530438 5.858272 5.492982 8.844516 7.844303 8.356141 7.730193 6.858664 8.359612 6.953992 3.893616 6.551639 6.478940 7.957076 8.061414 7.518731 8.781441 5.153616 5.370356 1.777352 1.776248 0.000000 4.946510 6.160810 3.930871 8.265834 7.710360 6.750188 9.160656 8.936011 8.128634 5.854642 8.635775 4.231462 8.885288 9.357320 4.506002 2.807821 2.138548 3.415424 2.991792 1.096583 2.128774 3.214819 7.740283 6.525613 10.148611 8.888917 9.362630 9.056926 8.548970 9.967622 8.261992 4.913307 8.564373 8.573251 9.976756 9.392218 9.052465 10.410478 4.971514 5.364671 3.616908 3.840842 2.349706 0.000000 5.374000 6.891334 2.658918 8.937519 8.649236 7.468439 9.720789 9.517683 9.194389 6.514204 9.877914 4.455269 10.235166 10.643036 4.127554 3.381694 2.121412 2.687657 4.185822 1.095888 2.126778 3.251980 8.762590 7.178068 10.770664 9.482182 9.730498 9.439492 9.201662 10.595580 9.225671 5.175301 10.031015 9.864872 11.328428 10.572880 10.443611 11.709356 4.557626 4.829776 4.879458 4.951200 3.837408 1.748707 0.000000 6.788052 7.667147 4.514878 10.233135 9.740482 8.787259 11.257976 10.646469 10.328292 7.650590 10.791220 5.677422 10.823129 11.614832 5.740804 4.381217 3.497952 4.429005 4.614790 2.194735 1.088603 2.090110 9.594649 8.726022 12.239234 11.121900 11.384883 10.686944 10.103704 11.689202 10.578136 6.031160 10.453773 10.377938 11.885846 11.752958 11.278442 12.629532 6.473098 6.247488 5.551578 5.004559 3.932110 2.522080 2.477176 0.000000 6.807810 7.095003 5.044869 10.056347 9.656606 8.786531 11.266100 10.129693 10.506282 7.432149 10.972065 5.490448 10.761782 12.027107 5.723526 4.516078 4.043657 4.784589 4.699196 3.519853 2.106331 1.085260 9.296558 9.006391 12.177506 11.361169 11.359260 10.136674 9.415107 11.128634 10.943375 5.391110 10.481898 10.110207 11.756460 12.311977 11.795782 12.955443 6.712058 5.892262 5.788799 4.556255 4.346263 4.110214 4.137114 2.419503 0.000000 5.042076 5.395836 3.886081 8.310010 8.032502 7.073688 9.497844 8.364265 8.977175 5.687841 9.573252 3.683244 9.464769 10.704774 3.997178 2.908245 2.657629 3.320020 3.374341 2.829389 2.120115 1.085779 7.728778 7.321264 10.419209 9.636869 9.547345 8.324374 7.699964 9.385656 9.389034 3.555405 9.328468 8.773207 10.468090 10.940991 10.601754 11.632550 5.026950 4.178750 4.450655 3.235183 3.406592 3.555635 3.619664 3.074294 1.848971 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:.4497,-.9836,-.2835;-.55,-.557,1.7023;4.9287,-1.513,-1.3032;-3.0918,-1.6722,.1823;-3.1397,-.1655,.2362;-1.8722,-.8638,-.2833;-3.8386,-2.42,-.9072;-3.0408,-2.4311,1.4943;-3.9388,.6649,-.691;-.6325,-.7802,.509;-4.5752,1.8114,-.4011;1.7776,-.9123,.3077;-4.5927,2.4735,.9518;-5.3545,2.5495,-1.4603;2.7057,-1.9096,-.3818;2.3948,.4485,.055;3.5921,.3448,-.56;3.8949,-1.0721,-.8177;1.7065,1.685,.5106;4.5476,1.4407,-.9196;5.4395,1.91,.2067;5.3929,1.5128,1.4766;-3.0096,.2289,1.2373;-1.713,-.8501,-1.3544;-4.8895,-2.5448,-.6249;-3.8066,-1.9102,-1.8712;-3.4065,-3.4169,-1.0411;-2.518,-3.3854,1.3684;-2.5399,-1.8694,2.2824;-4.0609,-2.6503,1.8268;-4.0059,.299,-1.7124;1.6873,-1.0954,1.3793;-4.196,3.4934,.8794;-4.0173,1.9419,1.71;-5.6236,2.5672,1.3144;-5.3233,2.0399,-2.4265;-4.9616,3.565,-1.5945;-6.4051,2.6597,-1.1641;2.2297,-2.3398,-1.2668;3.0258,-2.7298,.2631;.7036,1.7485,.0747;1.5732,1.6581,1.5977;2.2617,2.5859,.2485;3.9984,2.3062,-1.3093;5.1851,1.0969,-1.742;6.1787,2.6522,-.0896;6.0803,1.9162,2.2131;4.6772,.7755,1.8274; 0.4793783 0.1196819 0.1067683 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= 1.61D-06 NBF= 640 NBsUse= 639 1.00D-06 EigRej= 6.11D-07 NBFU= 639 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= 655 655 655 655 655 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -965.648557240093 -965.648557240135 -0.000000000042 -965.648557240 2 9.613126681013e+02 -5.793964189695e+03 2.093618808292e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414688210 LenY= 1414249304 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. 14921 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 1415577600 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= 740000000 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= 4.57D-14 1.00D-09 XBig12= 2.34D+02 6.91D+00. AX will form 144 AO Fock derivatives at one time. 144 vectors produced by pass 1 Test12= 4.57D-14 1.00D-09 XBig12= 3.52D+01 1.44D+00. 144 vectors produced by pass 2 Test12= 4.57D-14 1.00D-09 XBig12= 3.00D-01 7.51D-02. 144 vectors produced by pass 3 Test12= 4.57D-14 1.00D-09 XBig12= 9.87D-04 2.64D-03. 144 vectors produced by pass 4 Test12= 4.57D-14 1.00D-09 XBig12= 2.37D-06 1.08D-04. 108 vectors produced by pass 5 Test12= 4.57D-14 1.00D-09 XBig12= 4.04D-09 3.83D-06. 31 vectors produced by pass 6 Test12= 4.57D-14 1.00D-09 XBig12= 5.81D-12 1.65D-07. 3 vectors produced by pass 7 Test12= 4.57D-14 1.00D-09 XBig12= 7.70D-15 6.39D-09. InvSVY: IOpt=1 It= 1 EMax= 1.95D-14 Solved reduced A of dimension 862 with 147 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 323.68 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 362.550 -30.194 321.747 -19.225 8.422 286.754 365.450 -35.780 333.379 -29.789 11.020 322.975 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT90930.900S 2024-10-10T05:10:05.000 -19.17477 -19.11820 -19.11811 -10.31126 -10.26408 -10.24350 -10.20736 -10.19913 -10.18765 -10.18576 -10.18494 -10.17857 -10.17829 -10.17823 -10.17667 -10.16962 -10.16200 -10.15964 -10.15823 -10.15696 -10.15658 -10.15527 -1.11295 -1.04793 -1.02882 -0.88507 -0.87200 -0.80729 -0.80278 -0.76249 -0.74566 -0.73323 -0.70991 -0.69093 -0.68730 -0.68078 -0.67212 -0.63065 -0.57979 -0.56663 -0.56152 -0.55535 -0.53587 -0.51596 -0.49945 -0.49027 -0.47911 -0.47428 -0.46919 -0.46487 -0.45286 -0.45201 -0.44099 -0.43051 -0.42837 -0.42372 -0.42031 -0.41515 -0.40701 -0.39872 -0.39772 -0.39151 -0.38935 -0.38248 -0.38062 -0.37967 -0.37609 -0.37279 -0.36715 -0.36352 -0.35679 -0.35210 -0.34917 -0.32781 -0.32051 -0.31266 -0.29431 -0.28175 -0.27026 -0.26583 -0.26006 -0.22761 -0.06023 -0.01602 0.00088 0.00353 0.01092 0.01546 0.01720 0.02147 0.02426 0.02953 0.03099 0.03504 0.04125 0.04277 0.04676 0.05058 0.05221 0.05654 0.05813 0.05980 0.06458 0.06751 0.07009 0.07192 0.07316 0.07827 0.08153 0.08408 0.08821 0.09200 0.09392 0.09719 0.09892 0.10528 0.10581 0.10817 0.11067 0.11638 0.11900 0.12470 0.12696 0.12787 0.13096 0.13332 0.13660 0.13840 0.14236 0.14358 0.14573 0.14965 0.15271 0.15501 0.15821 0.16063 0.16473 0.16922 0.17127 0.17615 0.17717 0.18201 0.18283 0.18714 0.19087 0.19455 0.19596 0.19709 0.19786 0.20089 0.20412 0.20633 0.20831 0.21201 0.21335 0.21586 0.21790 0.22106 0.22523 0.22783 0.22824 0.23257 0.23378 0.23692 0.23954 0.24266 0.24416 0.24710 0.24774 0.24991 0.25174 0.25340 0.25930 0.25980 0.26303 0.26564 0.26883 0.27317 0.27547 0.28123 0.28402 0.28548 0.28658 0.28903 0.29345 0.29687 0.29861 0.29929 0.30427 0.30747 0.31116 0.31302 0.31984 0.32225 0.32892 0.33136 0.33371 0.33712 0.34657 0.35375 0.35725 0.35908 0.36181 0.36252 0.37406 0.37436 0.37868 0.38323 0.39038 0.39425 0.40098 0.40242 0.40928 0.41709 0.42786 0.43046 0.43445 0.44171 0.44318 0.45184 0.45441 0.46212 0.46276 0.47338 0.47871 0.48653 0.48973 0.49799 0.50864 0.51119 0.52256 0.52420 0.52723 0.53473 0.54550 0.55130 0.55805 0.56237 0.56609 0.57038 0.57473 0.58214 0.58592 0.58811 0.59728 0.60324 0.61143 0.61661 0.61935 0.62365 0.62510 0.62906 0.63709 0.63897 0.64118 0.65149 0.65663 0.65729 0.66208 0.66775 0.67004 0.67086 0.67465 0.67656 0.68544 0.68732 0.69085 0.69427 0.69761 0.70323 0.70402 0.70895 0.71261 0.72107 0.72432 0.72657 0.73284 0.73588 0.73714 0.74298 0.74414 0.74751 0.75438 0.75858 0.76485 0.77202 0.77665 0.78175 0.78335 0.78937 0.79105 0.79482 0.80501 0.81615 0.82097 0.82926 0.83255 0.84314 0.84858 0.85507 0.85765 0.88102 0.88719 0.89468 0.90786 0.91314 0.92375 0.93092 0.93757 0.94165 0.95060 0.96087 0.98531 0.99671 1.00733 1.00963 1.01769 1.03092 1.04441 1.05725 1.06775 1.08651 1.09008 1.09481 1.10551 1.11353 1.11685 1.13106 1.14454 1.15454 1.16044 1.17088 1.18364 1.18510 1.20164 1.21993 1.22140 1.23453 1.24612 1.27095 1.28118 1.28561 1.29644 1.31042 1.32371 1.33143 1.35355 1.36182 1.36439 1.37956 1.38170 1.40396 1.40820 1.41357 1.42274 1.43468 1.43974 1.44456 1.45449 1.46210 1.46468 1.47128 1.47172 1.47555 1.47853 1.49510 1.50326 1.50491 1.51175 1.51434 1.51925 1.52658 1.53919 1.55000 1.55871 1.56060 1.57009 1.57424 1.58610 1.58873 1.59399 1.60430 1.60828 1.61055 1.61370 1.62227 1.63071 1.63512 1.64214 1.64885 1.65588 1.66197 1.66701 1.66884 1.67943 1.68999 1.69069 1.69695 1.69969 1.70919 1.71080 1.71316 1.72024 1.72578 1.73182 1.73383 1.74306 1.75447 1.75718 1.76484 1.77483 1.78310 1.79016 1.79931 1.81095 1.81960 1.82782 1.83486 1.84423 1.85326 1.85785 1.86630 1.87617 1.88240 1.89839 1.89982 1.90469 1.91807 1.92398 1.93318 1.95077 1.96163 1.96526 1.97532 1.98142 2.00088 2.01100 2.01545 2.03337 2.04282 2.04648 2.06174 2.06559 2.07451 2.09215 2.09990 2.10347 2.11324 2.12267 2.12875 2.14176 2.14510 2.15778 2.16687 2.18164 2.18190 2.18902 2.19384 2.20904 2.21819 2.23153 2.23244 2.24547 2.26651 2.28741 2.29912 2.31400 2.32282 2.33092 2.34644 2.36792 2.38005 2.39009 2.40247 2.41731 2.43045 2.44251 2.45253 2.45821 2.47431 2.47605 2.48053 2.48889 2.49930 2.50895 2.51831 2.52218 2.53241 2.54164 2.54376 2.54894 2.55068 2.55742 2.56507 2.56546 2.56957 2.58818 2.58948 2.60013 2.60903 2.61523 2.62663 2.63428 2.63665 2.64643 2.65981 2.66726 2.67113 2.68105 2.69103 2.69818 2.70136 2.72884 2.73408 2.73957 2.74326 2.75305 2.75891 2.75967 2.77851 2.78609 2.79617 2.81090 2.82660 2.83627 2.84735 2.85828 2.86469 2.87437 2.87697 2.88716 2.88981 2.89530 2.90649 2.91516 2.92308 2.93785 2.94875 2.95096 2.96768 2.97329 2.99138 2.99707 3.01116 3.05013 3.05485 3.07523 3.08770 3.09024 3.10930 3.11251 3.12905 3.14685 3.15609 3.16414 3.19292 3.20983 3.21409 3.22556 3.23425 3.25450 3.26723 3.28409 3.31091 3.34397 3.36060 3.36276 3.37845 3.45877 3.50335 3.52973 3.55234 3.58368 3.61946 3.65448 3.66910 3.68905 3.70261 3.76167 3.76744 3.78143 3.80015 3.81240 3.81903 3.82900 3.83416 3.83994 3.84390 3.85221 3.85536 3.86727 3.88916 3.92679 3.98994 4.05219 4.09746 4.15330 4.17120 4.21008 4.26538 4.28036 4.30178 4.31233 4.40768 4.45124 4.53600 4.57333 4.59657 5.07600 5.10411 5.13793 5.21874 5.30080 5.39027 5.66299 5.73999 5.90914 23.65072 23.69860 23.77554 23.80872 23.83206 23.86061 23.88806 23.88930 23.90608 23.94042 23.95182 23.97426 23.99323 23.99647 23.99813 24.02518 24.20026 24.24724 24.27439 49.92974 50.02254 50.02897 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 0.149558 -0.315442 -0.419462 0.340902 0.642557 0.053101 -0.580682 -0.580324 -0.310378 -0.618969 0.201867 -0.717955 -0.789185 -0.642145 -0.402314 0.663032 1.215974 -0.311711 -0.621814 -0.945356 0.049516 -0.510195 0.163475 0.181614 0.159715 0.149180 0.161152 0.156073 0.158994 0.158953 0.130912 0.230539 0.160920 0.151714 0.163281 0.148451 0.156501 0.158311 0.227170 0.219570 0.192791 0.201131 0.175427 0.189419 0.186334 0.160636 0.156262 0.150899 -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 0.149558 -0.315442 -0.419462 0.340902 0.806032 0.234715 -0.110635 -0.106304 -0.179467 -0.618969 0.201867 -0.487416 -0.313270 -0.178882 0.044426 0.663032 1.215974 -0.311711 -0.052465 -0.569603 0.210152 -0.203034 0.00000 -2.09059666e+00 1.01920471e+00 -5.33951094e-02 3.62549619e+02 -3.01939111e+01 3.21747071e+02 -1.92254782e+01 8.42212975e+00 2.86754409e+02 -3.9853 -0.0008 -0.0007 0.0005 4.3210 8.4274 13.2723 18.1168 23.2324 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 13.0961 17.6477 23.1506 32.7701 44.0299 63.7874 77.9595 91.1489 101.1911 112.1590 124.9517 130.8358 140.9882 154.5331 172.3602 180.7800 190.1247 214.9999 232.8094 251.8592 282.2399 291.4273 294.2911 305.6104 312.8530 342.1611 359.0569 378.1350 400.5259 441.6377 442.8658 474.3768 491.0387 513.5661 536.8065 545.2026 553.8938 594.4306 606.4940 634.0472 655.5702 679.1870 743.4868 773.2634 792.5191 832.2287 837.7510 859.2839 880.7149 893.4575 917.4327 920.7249 942.8381 958.1365 969.6481 977.7274 981.2957 992.7104 1006.8390 1012.1011 1027.3119 1035.5281 1046.2280 1051.6963 1060.9577 1063.6835 1075.8630 1089.4272 1098.1074 1102.4443 1116.0958 1131.5724 1164.3809 1174.3964 1188.6263 1211.1818 1215.2798 1238.4723 1259.9280 1279.2792 1316.6519 1317.1870 1322.0989 1333.3617 1353.3086 1363.9318 1377.3018 1402.8102 1408.9924 1410.5699 1414.0683 1417.4230 1423.6890 1433.5826 1438.4099 1454.6912 1456.0540 1459.0585 1468.7304 1476.2473 1476.4963 1477.1184 1480.3793 1483.4703 1487.0404 1495.4568 1503.3985 1672.8128 1691.3242 1708.0015 1715.5807 1717.9182 3000.0338 3008.4400 3017.1484 3019.6348 3021.6282 3024.0872 3042.1514 3046.6411 3049.0043 3063.3325 3069.4005 3071.0657 3074.6531 3089.1571 3090.1047 3108.0830 3111.8988 3114.2358 3120.8814 3124.3240 3125.9325 3132.6233 3138.3427 3165.3819 3173.7579 3207.2124 4.2877 3.9641 3.9050 3.6962 3.9787 4.4062 3.9325 3.3713 3.4452 2.0077 2.9020 1.1057 2.5621 2.7580 1.2453 1.3388 1.3047 2.2199 1.7390 1.7658 3.2465 3.0740 2.4043 3.2531 3.7623 3.8245 3.0537 3.6920 2.5335 2.8642 2.7979 2.5549 2.9203 2.7510 3.2085 3.2401 1.4256 3.1183 3.3398 3.9569 4.0663 4.5729 4.3862 4.4359 3.7302 3.4489 3.4529 2.6731 1.6376 2.5759 2.8062 3.3643 1.3663 1.7208 1.3985 1.7252 1.5280 1.8151 1.9532 1.2865 1.1445 1.9380 2.4543 1.8433 2.5170 1.6808 1.6153 1.9373 1.6492 1.4210 2.0732 1.8908 2.3149 2.7691 1.3810 2.0696 2.3737 1.2909 2.5151 1.5892 1.4085 1.8412 1.8049 1.8106 1.3620 1.3872 1.7687 1.3279 1.3401 1.4718 1.3889 1.2569 1.2336 1.1067 1.1960 1.6145 1.1532 1.0458 1.0915 1.0484 1.0784 1.0454 1.0766 1.0602 1.0946 1.0674 1.2219 8.4454 4.6315 9.7112 8.2124 8.5294 1.0382 1.0414 1.0393 1.0612 1.0389 1.0391 1.0998 1.0993 1.0994 1.0616 1.1019 1.0985 1.1016 1.0860 1.1002 1.0993 1.1024 1.0965 1.0635 1.1001 1.0971 1.0868 1.0876 1.0880 1.0875 1.1155 0.0004 0.0007 0.0012 0.0023 0.0045 0.0106 0.0141 0.0165 0.0208 0.0149 0.0267 0.0112 0.0300 0.0388 0.0218 0.0258 0.0278 0.0605 0.0555 0.0660 0.1524 0.1538 0.1227 0.1790 0.2170 0.2638 0.2320 0.3110 0.2395 0.3291 0.3233 0.3387 0.4149 0.4275 0.5447 0.5674 0.2577 0.6492 0.7238 0.9372 1.0297 1.2429 1.4285 1.5628 1.3804 1.4074 1.4278 1.1629 0.7484 1.2115 1.3916 1.6804 0.7156 0.9308 0.7747 0.9717 0.8669 1.0539 1.1666 0.7764 0.7116 1.2244 1.5828 1.2013 1.6693 1.1205 1.1016 1.3547 1.1717 1.0175 1.5216 1.4265 1.8492 2.2502 1.1495 1.7888 2.0655 1.1665 2.3523 1.5323 1.4386 1.8821 1.8588 1.8966 1.4696 1.5204 1.9768 1.5396 1.5675 1.7254 1.6363 1.4878 1.4731 1.3401 1.4580 2.0129 1.4405 1.3117 1.3872 1.3462 1.3852 1.3439 1.3901 1.3746 1.4262 1.4064 1.6271 13.9241 7.8060 16.6917 14.2412 14.8312 5.5056 5.5534 5.5742 5.7013 5.5886 5.5990 5.9970 6.0120 6.0218 5.8693 6.1164 6.1044 6.1358 6.1063 6.1899 6.2570 6.2896 6.2654 6.1032 6.3268 6.3164 6.2837 6.3114 6.4228 6.4543 6.7606 0.1068 0.9061 0.8650 1.5550 4.3950 2.5096 2.4451 3.0817 4.6617 1.0393 0.1996 0.7503 1.3423 2.7279 0.9457 1.2595 1.9958 0.6017 5.4242 3.1805 2.1153 8.0256 5.5481 4.2062 10.8148 10.9387 2.7238 4.8280 1.8136 1.4500 2.8910 6.9352 2.3337 15.8390 3.8975 8.2291 32.2815 12.6557 3.7668 6.2514 3.9511 13.8997 7.3701 44.4255 4.9002 32.6910 14.2511 5.4027 95.7402 15.4213 9.1224 35.5071 94.6134 11.5604 1.1607 8.9993 26.6534 15.9197 144.5596 4.0244 23.6714 20.3154 47.4827 10.4873 15.0635 9.6355 44.1027 90.9604 1.6483 19.5556 35.8198 343.5515 362.2472 347.7931 3.5419 49.4502 86.9280 36.2134 50.3668 3.3726 26.4807 50.9944 35.3724 13.6451 44.8683 20.2705 25.5165 89.8805 6.5985 81.8445 38.6430 15.0889 3.4400 13.1873 7.7484 98.3554 15.2833 0.1427 28.6052 40.3495 13.8405 9.9736 6.6361 4.5117 6.9580 27.9656 5.5689 650.7484 41.8194 423.1894 318.6178 199.5377 48.8363 81.2810 27.5492 24.9854 81.5616 8.2008 21.7336 46.8294 9.1931 5.8761 24.0629 8.4033 68.8129 9.7155 41.2072 29.1334 7.2797 35.8444 22.6988 19.6577 14.8651 15.3973 21.3136 6.1807 10.4676 18.8964 -0.01 -0.07 0.01 -0.01 -0.12 0.02 -0.02 0.08 -0.07 -0.04 -0.04 0.03 0.01 -0.04 0.01 -0.01 -0.09 0.02 -0.05 -0.03 0.03 -0.06 -0.03 0.04 0.05 -0.02 0.00 -0.01 -0.10 0.02 0.15 0.05 -0.03 -0.01 -0.04 0.01 0.26 0.12 -0.07 0.18 0.06 -0.04 0.02 -0.00 -0.02 -0.05 -0.02 0.03 -0.06 0.03 -0.00 -0.02 0.04 -0.03 -0.07 -0.05 0.06 -0.10 0.06 0.00 -0.11 0.09 -0.00 -0.08 0.08 -0.01 0.02 -0.03 0.01 -0.01 -0.10 0.02 -0.06 0.01 0.03 -0.03 -0.05 0.03 -0.09 -0.05 0.05 -0.09 -0.04 0.05 -0.05 -0.03 0.03 -0.07 0.01 0.03 -0.02 -0.06 0.02 0.01 -0.07 0.00 0.34 0.08 -0.13 0.24 0.11 -0.06 0.28 0.22 -0.03 0.10 0.01 -0.02 0.26 0.02 -0.11 0.20 0.17 -0.01 0.02 -0.01 -0.02 0.06 0.00 -0.04 -0.08 -0.06 0.08 -0.06 -0.08 0.06 -0.10 -0.03 0.08 -0.13 0.05 0.01 -0.09 0.09 -0.01 -0.14 0.13 -0.01 -0.09 0.11 -0.01 -0.05 0.05 -0.00 0.00 0.02 0.06 -0.03 -0.01 0.05 -0.06 0.09 -0.08 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 0.00 -0.01 0.02 0.02 -0.01 -0.02 -0.03 -0.01 -0.00 0.01 -0.01 -0.03 -0.01 -0.00 0.04 -0.00 -0.02 -0.06 -0.00 0.02 0.07 -0.05 -0.01 -0.06 0.02 -0.02 -0.08 0.00 0.04 0.06 -0.02 0.03 0.09 -0.05 0.06 0.03 -0.04 0.06 -0.01 -0.01 0.01 0.16 -0.08 0.07 -0.01 0.09 -0.06 -0.09 0.27 -0.19 -0.12 -0.04 -0.01 -0.01 0.02 -0.01 0.02 0.01 -0.01 -0.05 0.04 -0.02 -0.02 0.03 -0.01 -0.01 -0.03 -0.00 0.01 -0.05 -0.00 0.01 -0.04 -0.01 -0.03 0.04 -0.02 -0.04 -0.01 0.00 0.07 -0.04 -0.01 -0.05 -0.07 -0.01 -0.04 -0.06 -0.02 -0.09 0.06 -0.02 -0.08 0.02 -0.02 -0.07 0.01 -0.03 -0.11 -0.01 -0.01 0.09 0.06 0.07 0.07 -0.02 0.02 0.18 0.01 -0.04 0.16 -0.02 0.02 0.18 -0.11 0.12 0.15 -0.20 0.13 -0.12 0.05 -0.04 -0.12 0.38 -0.28 -0.18 0.31 -0.23 -0.10 0.01 -0.02 0.06 -0.04 -0.06 0.04 -0.00 -0.05 0.10 -0.00 -0.01 -0.09 0.00 -0.01 -0.01 0.02 0.01 -0.01 0.03 0.05 -0.15 -0.05 -0.08 -0.12 0.04 0.04 0.01 -0.01 -0.03 0.04 0.03 0.03 0.05 0.00 0.01 0.09 -0.03 -0.06 0.09 0.08 0.09 0.06 0.02 -0.03 0.17 -0.01 0.00 0.01 -0.02 -0.02 -0.00 0.00 -0.04 0.09 -0.02 0.02 -0.06 -0.04 -0.03 -0.10 -0.02 0.06 -0.16 0.02 0.14 -0.13 -0.02 -0.06 0.01 0.05 0.06 -0.00 0.02 0.04 -0.18 0.06 0.10 -0.12 0.03 0.06 -0.19 -0.05 -0.07 -0.16 -0.06 -0.12 -0.08 -0.06 -0.08 -0.16 0.08 0.11 -0.02 -0.02 0.08 0.10 -0.03 -0.05 0.17 -0.06 -0.11 0.08 -0.04 -0.09 0.06 0.12 0.16 0.03 0.08 0.10 0.15 0.06 0.07 0.03 0.03 -0.11 0.21 0.05 0.04 0.23 -0.03 -0.02 -0.05 -0.01 0.08 -0.06 -0.04 0.01 -0.12 -0.07 -0.07 -0.14 -0.06 -0.07 -0.09 -0.04 0.06 -0.23 0.04 0.20 -0.18 0.05 0.15 -0.06 -0.03 0.05 -0.03 -0.04 0.02 -0.03 0.04 0.01 0.16 -0.01 -0.06 -0.02 -0.06 -0.06 0.00 -0.04 -0.01 -0.02 0.01 -0.07 -0.03 0.03 -0.08 -0.04 -0.09 -0.06 0.04 -0.04 0.02 -0.03 0.02 -0.00 0.04 -0.04 0.07 -0.02 0.22 0.09 -0.00 -0.05 -0.01 0.08 -0.02 0.05 0.03 -0.03 0.06 -0.06 -0.01 0.04 -0.00 0.01 0.03 0.08 -0.06 0.08 -0.13 0.02 0.02 0.01 0.07 -0.06 0.00 0.09 -0.12 -0.01 -0.05 -0.08 0.01 -0.05 0.01 -0.03 0.02 -0.11 -0.02 -0.03 -0.05 -0.02 0.04 -0.05 -0.05 0.06 -0.06 -0.06 0.02 -0.08 -0.04 0.04 -0.12 -0.03 -0.22 -0.11 0.06 -0.05 0.11 -0.02 0.28 0.06 -0.12 0.27 0.10 -0.03 0.27 0.18 0.11 -0.21 -0.08 0.11 0.01 -0.05 -0.03 -0.01 0.09 0.20 0.01 0.06 0.01 -0.07 0.04 0.05 -0.04 0.05 -0.17 -0.10 0.12 -0.14 -0.06 0.07 -0.15 0.04 0.05 0.05 -0.01 0.02 -0.02 0.09 -0.08 0.01 0.12 -0.18 -0.01 0.07 -0.11 -0.03 -0.00 -0.05 -0.04 0.03 -0.11 -0.01 0.12 0.07 0.15 -0.05 0.02 0.05 0.04 0.02 0.01 -0.01 -0.06 0.01 -0.11 0.04 0.08 -0.08 0.05 0.07 0.08 0.04 -0.01 0.01 -0.08 -0.01 0.02 0.01 0.00 0.01 0.00 -0.07 -0.13 -0.08 0.04 0.10 0.05 -0.03 0.04 0.03 -0.06 -0.04 0.02 -0.09 -0.01 0.05 -0.03 0.06 0.05 0.04 -0.11 0.01 -0.16 -0.01 0.06 0.01 0.02 -0.02 0.02 0.05 -0.12 -0.01 0.07 0.05 -0.00 -0.02 -0.09 0.01 -0.11 0.12 0.10 -0.08 0.01 0.07 -0.18 0.01 0.10 -0.14 0.02 0.09 -0.04 0.04 0.05 -0.09 0.13 0.09 0.17 0.09 -0.03 0.04 0.02 -0.06 -0.16 -0.06 0.15 -0.19 -0.11 0.06 -0.17 -0.14 -0.05 0.21 0.11 -0.06 0.07 0.07 0.08 0.06 -0.01 -0.12 0.08 0.08 -0.11 -0.00 -0.01 -0.08 -0.09 -0.04 -0.22 -0.18 0.03 -0.17 -0.13 0.02 -0.15 -0.01 0.09 0.07 -0.03 0.11 -0.02 0.01 0.01 0.06 0.07 -0.17 0.00 0.06 -0.14 -0.05 -0.03 0.18 0.02 -0.03 -0.14 0.09 -0.09 -0.05 -0.09 -0.03 -0.06 0.03 -0.06 -0.06 0.06 -0.03 -0.03 0.07 0.02 -0.05 -0.00 -0.05 -0.08 0.02 0.01 -0.04 0.02 -0.03 -0.01 0.07 0.03 -0.02 -0.02 -0.02 0.13 -0.02 -0.06 -0.04 -0.01 0.17 0.04 -0.08 -0.08 0.07 -0.02 0.04 0.09 -0.05 0.04 0.03 -0.04 -0.05 0.01 -0.05 0.09 0.13 -0.06 0.12 -0.04 -0.01 0.08 -0.07 0.03 -0.06 0.02 0.05 -0.09 -0.07 0.07 -0.02 0.01 0.07 0.01 -0.09 -0.03 0.02 -0.03 0.01 0.05 -0.04 -0.02 -0.03 -0.07 0.01 -0.08 -0.09 0.04 -0.05 -0.11 -0.02 0.07 -0.03 0.01 -0.00 0.15 -0.01 0.04 -0.07 0.05 -0.19 -0.10 0.04 -0.09 0.05 -0.12 0.24 0.05 -0.09 0.24 0.02 -0.03 0.15 0.09 -0.18 -0.12 0.09 -0.01 -0.11 0.07 -0.02 0.06 0.11 0.02 0.18 0.18 -0.05 0.08 0.11 -0.15 0.19 -0.01 -0.05 0.14 -0.09 0.03 0.18 -0.16 0.05 -0.08 -0.01 0.08 -0.16 0.11 0.04 -0.01 -0.08 0.03 0.01 0.25 -0.03 -0.04 0.02 -0.05 0.05 -0.04 0.00 -0.02 -0.04 0.02 0.00 0.03 0.01 0.09 -0.08 0.00 0.13 -0.04 -0.00 0.00 -0.02 0.01 -0.00 0.08 0.00 0.04 0.00 0.01 -0.01 -0.02 0.02 -0.04 -0.06 0.04 0.19 0.11 -0.02 0.01 -0.01 0.04 -0.05 -0.01 -0.03 -0.05 0.00 -0.03 -0.03 0.01 -0.02 -0.08 -0.00 -0.07 -0.06 0.01 0.00 -0.08 -0.04 0.04 -0.09 -0.12 0.02 -0.04 -0.04 0.02 -0.00 0.04 0.01 0.12 -0.21 0.04 -0.00 -0.03 0.02 0.20 -0.02 -0.06 0.17 -0.02 -0.03 0.13 -0.02 -0.02 0.15 -0.10 0.04 0.06 0.02 -0.00 0.00 0.02 0.03 0.10 -0.11 0.15 -0.21 -0.18 0.09 -0.07 0.06 -0.08 0.25 0.16 -0.05 0.29 0.08 0.06 0.17 0.18 -0.12 0.00 -0.08 0.08 0.05 0.03 0.08 -0.05 -0.01 -0.13 -0.14 0.01 -0.08 -0.06 -0.01 -0.05 -0.05 0.03 0.03 -0.04 0.04 0.00 -0.08 -0.01 0.10 -0.10 -0.15 0.05 -0.08 -0.15 -0.04 -0.05 0.05 -0.07 -0.01 0.05 -0.05 0.06 -0.04 0.15 -0.02 -0.03 0.02 -0.06 -0.04 0.02 -0.05 0.00 -0.01 -0.02 -0.06 0.04 0.05 -0.03 0.02 -0.05 -0.03 0.02 -0.03 0.04 -0.05 -0.01 -0.00 0.00 -0.04 -0.03 -0.07 -0.04 -0.02 0.01 0.10 0.07 -0.03 -0.08 -0.00 -0.16 0.01 -0.03 0.05 0.01 -0.02 0.04 0.01 -0.02 0.03 0.05 -0.04 0.14 -0.01 -0.01 0.00 0.02 0.07 -0.06 0.12 0.12 -0.05 -0.05 -0.03 0.01 -0.08 0.01 -0.02 -0.00 -0.12 0.08 -0.09 -0.05 0.04 0.03 -0.04 0.01 0.08 -0.01 -0.00 0.05 -0.01 0.00 0.07 -0.07 0.05 -0.03 -0.01 0.01 -0.04 -0.13 -0.08 0.12 -0.08 0.07 -0.19 -0.12 0.06 -0.06 0.12 -0.08 0.13 0.09 -0.04 0.19 0.04 0.01 0.09 0.15 -0.09 -0.06 0.19 -0.26 -0.19 -0.14 -0.28 0.04 0.02 0.18 0.08 -0.12 0.15 0.08 -0.04 0.20 -0.05 -0.05 -0.02 -0.03 -0.03 -0.01 -0.03 0.10 -0.13 0.14 0.18 -0.10 0.18 0.09 0.02 -0.02 -0.00 0.06 0.05 -0.08 0.12 0.06 -0.01 0.07 0.04 0.03 0.00 -0.03 0.03 0.10 0.01 0.11 0.10 0.13 0.05 -0.08 0.04 -0.05 -0.05 -0.02 0.02 0.07 0.02 0.01 0.10 -0.03 0.03 -0.01 0.01 -0.03 -0.03 -0.05 0.12 -0.06 -0.02 -0.06 -0.08 -0.03 -0.01 -0.11 -0.01 -0.03 -0.04 -0.01 -0.01 -0.05 0.01 -0.01 -0.02 -0.02 -0.04 -0.03 -0.04 0.01 -0.03 -0.11 0.05 0.01 -0.03 -0.09 -0.03 -0.11 -0.01 0.13 0.03 0.20 0.10 0.13 -0.05 -0.14 0.14 0.11 -0.05 0.22 0.09 -0.12 0.14 0.00 -0.09 -0.04 -0.06 0.01 0.05 -0.17 -0.11 -0.00 -0.02 0.08 0.09 -0.06 -0.03 -0.04 0.11 -0.12 -0.07 0.17 -0.02 -0.06 0.16 -0.08 0.00 -0.12 -0.04 -0.04 -0.06 -0.14 -0.03 -0.05 -0.10 -0.04 0.13 -0.17 -0.08 -0.11 -0.21 -0.02 -0.05 -0.01 0.00 -0.03 -0.03 -0.03 -0.03 -0.04 -0.05 -0.02 -0.07 0.01 0.03 0.00 -0.23 0.20 0.08 -0.08 -0.06 -0.00 0.10 -0.25 -0.11 0.01 0.05 -0.02 -0.02 -0.00 -0.02 -0.02 -0.06 -0.01 -0.01 -0.01 0.00 0.01 -0.01 -0.03 -0.00 -0.03 -0.02 -0.03 -0.02 0.02 -0.02 0.02 0.02 0.00 -0.01 -0.02 -0.00 0.00 -0.02 0.01 -0.01 0.00 -0.00 0.03 0.01 0.02 -0.03 0.01 0.00 0.01 0.02 -0.01 0.00 0.05 0.03 0.01 -0.01 0.03 -0.02 -0.01 -0.00 -0.03 0.00 0.07 0.04 -0.01 0.02 -0.01 -0.00 -0.14 0.15 0.06 0.06 -0.09 -0.01 0.02 0.00 -0.03 -0.01 -0.05 -0.02 -0.03 0.01 0.03 -0.03 -0.03 0.01 -0.06 -0.03 0.04 -0.04 -0.00 0.03 -0.00 0.02 0.00 -0.02 0.05 0.03 -0.00 0.00 -0.02 -0.03 0.06 0.01 0.01 -0.03 0.03 0.02 -0.04 0.00 0.02 -0.05 0.02 -0.01 0.03 0.01 0.01 0.01 0.03 0.01 0.01 0.03 -0.01 -0.05 0.07 -0.00 0.03 0.09 0.03 0.01 0.10 0.20 0.10 0.00 0.04 0.02 -0.12 0.01 -0.08 -0.15 0.14 -0.04 0.10 -0.42 0.47 0.16 -0.05 0.02 0.03 0.34 -0.42 -0.11 -0.01 -0.03 0.01 -0.00 -0.01 0.01 -0.06 -0.02 -0.13 -0.01 0.00 0.00 -0.02 0.00 0.03 -0.01 0.02 0.02 -0.01 0.01 -0.00 0.01 -0.02 -0.01 -0.02 -0.00 0.03 -0.01 -0.01 0.01 -0.02 0.01 0.00 -0.01 -0.03 -0.00 -0.02 0.04 -0.01 -0.00 -0.01 -0.02 -0.01 -0.02 -0.01 -0.00 -0.03 0.01 0.05 -0.03 0.11 0.00 -0.02 0.00 -0.11 -0.03 -0.16 0.04 -0.02 0.10 0.05 0.09 0.05 0.19 0.11 0.06 -0.03 -0.01 0.03 -0.02 0.04 0.01 -0.01 0.01 -0.00 -0.01 0.02 0.00 -0.00 0.02 -0.02 0.03 -0.01 -0.03 -0.00 -0.03 -0.00 0.02 -0.05 -0.01 -0.02 -0.01 0.03 -0.01 -0.04 -0.00 0.12 -0.02 -0.01 -0.14 -0.03 0.03 -0.03 0.18 -0.08 0.03 -0.01 -0.02 -0.01 -0.00 -0.01 -0.01 -0.02 -0.05 -0.00 -0.01 -0.02 -0.01 -0.03 -0.02 0.04 -0.00 -0.49 -0.47 -0.04 -0.21 -0.01 -0.03 0.03 0.02 -0.05 0.05 0.04 -0.04 0.11 -0.05 0.16 -0.02 0.20 0.20 -0.00 0.29 0.04 0.12 0.01 -0.00 -0.01 0.00 -0.02 -0.01 0.01 0.01 0.00 0.00 0.01 -0.00 0.01 0.01 0.00 0.00 0.00 -0.01 -0.02 0.02 0.01 0.02 0.00 -0.01 -0.01 -0.00 0.01 0.01 -0.01 -0.01 -0.02 -0.01 0.01 0.01 0.00 0.01 0.01 0.02 -0.01 -0.03 -0.02 0.00 0.02 -0.00 0.03 0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 0.00 0.01 0.00 0.01 -0.00 0.00 -0.01 -0.01 -0.01 -0.00 -0.02 -0.01 -0.00 0.03 0.02 -0.00 -0.00 0.01 -0.01 -0.03 0.06 0.01 -0.01 0.01 0.00 -0.06 0.01 0.02 0.03 0.01 -0.02 0.01 -0.00 -0.00 0.02 -0.01 -0.01 -0.01 -0.00 0.01 -0.01 0.01 0.01 0.51 -0.17 0.06 -0.40 -0.24 0.12 -0.02 0.51 -0.22 0.13 0.08 -0.04 -0.17 0.05 0.14 -0.08 -0.21 -0.08 0.02 -0.04 0.05 0.03 0.03 0.05 -0.01 -0.01 0.05 0.05 0.01 0.02 -0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.00 0.01 -0.01 0.01 -0.02 0.01 -0.02 -0.02 0.00 -0.03 -0.01 -0.01 0.01 0.02 -0.06 0.00 -0.08 -0.05 -0.02 -0.00 -0.00 0.02 0.01 0.01 0.02 0.01 0.06 -0.01 0.03 -0.04 -0.13 0.08 0.07 0.20 -0.09 -0.05 -0.01 -0.00 0.07 0.00 -0.02 -0.07 -0.01 0.01 0.01 -0.02 0.01 0.01 -0.06 0.06 -0.02 0.05 -0.03 -0.06 0.02 -0.01 0.09 -0.01 0.01 0.01 -0.01 0.00 0.01 -0.01 -0.00 0.02 -0.00 0.01 0.02 -0.01 -0.00 -0.00 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 0.07 0.02 0.06 -0.06 0.08 -0.05 -0.13 0.21 0.15 -0.14 0.05 0.06 -0.26 0.02 0.06 0.37 0.02 -0.17 0.13 -0.07 -0.02 0.25 -0.31 -0.03 0.00 -0.02 0.07 -0.08 0.04 0.01 -0.22 0.12 -0.06 0.05 0.17 -0.03 -0.06 -0.09 0.02 -0.01 -0.14 -0.01 0.15 -0.08 -0.18 0.06 0.11 -0.07 0.04 -0.13 0.14 0.06 0.07 0.18 -0.02 0.00 0.05 0.03 0.01 0.03 -0.01 0.01 0.00 -0.01 0.00 0.00 -0.02 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.01 -0.00 -0.02 -0.00 -0.00 -0.00 -0.05 0.05 0.01 0.19 0.01 0.03 0.01 -0.01 -0.04 -0.03 -0.01 0.01 -0.04 0.06 -0.00 -0.05 0.04 -0.14 0.12 -0.05 -0.09 -0.13 -0.06 0.03 -0.03 0.05 0.00 0.02 0.04 0.02 -0.03 0.01 0.02 -0.00 -0.00 0.00 0.01 -0.01 0.03 -0.09 -0.03 0.01 0.01 -0.05 0.01 0.01 -0.02 0.02 0.01 -0.01 0.02 0.01 -0.02 0.04 0.01 -0.00 0.03 0.00 0.00 0.02 0.01 0.01 0.02 0.01 0.01 0.01 -0.06 0.07 0.01 -0.01 0.04 -0.19 0.39 -0.11 0.04 0.08 -0.06 -0.38 0.01 0.00 -0.33 -0.24 -0.18 0.13 -0.29 -0.08 -0.10 0.10 0.04 0.04 -0.04 0.06 0.07 -0.00 0.00 -0.00 0.02 -0.04 0.01 0.04 0.01 0.00 0.02 -0.02 0.06 -0.13 -0.01 -0.01 -0.08 -0.06 0.01 -0.11 -0.06 -0.01 0.07 -0.07 -0.01 -0.03 -0.09 -0.02 -0.03 0.13 0.19 0.07 0.02 -0.01 0.01 -0.12 0.04 0.00 -0.01 0.04 -0.00 0.01 0.01 0.02 0.01 0.01 0.02 0.01 0.02 0.00 0.00 -0.01 -0.06 -0.00 0.00 -0.01 -0.01 0.01 0.02 -0.03 -0.01 0.00 0.00 -0.02 0.01 0.00 -0.01 0.01 0.00 0.02 -0.02 -0.00 -0.00 0.01 0.00 -0.03 0.01 0.01 -0.00 -0.02 -0.01 -0.03 0.01 0.00 -0.00 -0.02 -0.01 -0.02 0.02 -0.00 -0.01 0.03 -0.00 0.02 -0.01 0.01 -0.02 -0.01 -0.02 0.00 -0.00 0.02 0.01 0.00 0.00 -0.01 -0.00 -0.03 0.01 -0.00 0.03 0.03 0.00 0.01 0.04 0.03 0.02 -0.03 0.00 0.00 -0.02 0.01 -0.00 0.04 -0.12 0.02 -0.04 0.01 0.01 0.10 0.02 -0.04 0.01 0.02 0.01 -0.01 0.02 0.00 -0.00 0.00 0.00 -0.04 0.01 0.01 0.00 -0.01 -0.01 0.00 0.01 -0.00 -0.04 0.01 0.01 -0.02 0.05 -0.01 -0.08 -0.02 0.02 0.07 -0.01 -0.06 0.01 0.12 0.03 0.03 -0.03 0.01 0.04 0.00 0.02 -0.22 -0.24 0.42 0.50 0.24 0.04 -0.25 0.01 -0.48 0.01 0.00 0.03 0.00 -0.00 0.02 0.04 -0.02 -0.01 0.06 0.04 0.00 0.04 0.05 0.05 0.02 -0.01 -0.01 0.01 -0.01 -0.01 0.03 0.01 -0.01 -0.01 0.00 -0.00 -0.02 -0.00 0.00 -0.01 0.01 0.00 0.00 0.00 -0.01 -0.06 0.02 0.01 -0.07 -0.02 0.02 0.01 -0.00 -0.01 -0.07 -0.02 0.02 0.03 -0.00 0.00 -0.04 0.01 0.00 0.01 0.02 -0.01 0.05 -0.01 0.04 0.02 -0.00 -0.00 0.02 0.00 -0.02 0.03 0.00 -0.00 0.03 -0.01 0.01 0.01 0.01 -0.02 -0.00 0.00 -0.00 -0.02 -0.01 -0.01 -0.03 -0.00 0.01 -0.01 0.01 0.00 -0.00 0.01 -0.03 0.02 -0.00 -0.01 -0.00 0.00 -0.00 -0.17 -0.05 0.01 0.03 -0.03 -0.02 -0.08 0.14 0.03 -0.08 -0.03 0.02 0.01 0.01 0.00 0.11 -0.05 0.01 -0.17 -0.07 0.05 -0.05 0.17 -0.06 -0.35 -0.20 0.10 0.37 -0.16 -0.31 0.10 0.50 0.15 0.06 -0.07 0.06 0.08 0.04 0.08 0.08 0.07 -0.10 -0.10 -0.09 -0.01 0.10 -0.01 0.15 0.01 0.01 -0.01 0.02 0.01 -0.01 0.00 0.01 0.02 -0.03 -0.02 0.01 -0.02 -0.02 -0.03 -0.00 -0.00 0.05 -0.03 0.01 0.04 -0.00 -0.00 0.00 0.02 0.01 -0.01 0.01 0.01 -0.04 0.02 0.01 -0.00 -0.02 0.03 0.00 0.04 0.02 -0.00 -0.00 -0.02 -0.05 -0.00 0.01 0.04 -0.01 -0.03 -0.02 0.01 -0.00 0.01 0.03 -0.07 0.00 -0.01 0.02 0.02 -0.02 0.01 -0.05 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.01 -0.00 -0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.03 -0.05 0.05 -0.01 0.00 -0.10 0.38 -0.14 0.28 -0.15 -0.08 -0.28 -0.12 0.24 0.34 0.18 0.08 -0.24 0.17 0.07 0.05 -0.28 -0.16 -0.01 -0.02 -0.05 0.05 -0.02 0.01 0.10 -0.09 0.04 -0.02 -0.12 -0.00 0.03 -0.00 -0.01 -0.16 -0.03 0.04 0.12 -0.04 -0.06 0.04 0.18 0.11 -0.04 0.09 -0.08 -0.05 -0.05 -0.11 -0.03 -0.04 0.02 0.04 0.04 -0.01 -0.05 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 0.00 0.00 0.00 0.00 0.08 -0.04 0.04 -0.02 -0.01 -0.08 -0.04 0.03 0.06 0.03 -0.00 0.09 0.03 -0.00 0.05 0.02 -0.02 0.04 0.07 -0.01 0.04 0.03 -0.00 0.09 -0.00 -0.01 0.03 0.02 -0.01 0.03 -0.05 0.01 -0.04 0.01 0.00 0.03 -0.07 0.01 0.01 -0.08 0.00 -0.09 0.01 -0.03 -0.04 0.01 0.04 -0.04 -0.01 0.04 -0.07 -0.01 0.02 -0.08 0.00 -0.02 -0.05 -0.01 0.02 -0.02 -0.02 -0.01 0.00 0.00 0.00 0.11 0.04 -0.01 0.06 0.02 -0.02 0.05 0.04 0.02 0.01 0.10 0.01 0.05 0.08 -0.06 -0.28 -0.13 -0.07 0.33 -0.11 -0.09 0.02 0.36 0.16 0.11 0.00 -0.01 -0.06 -0.02 -0.01 0.15 -0.11 0.05 -0.07 -0.14 0.04 0.02 0.04 -0.04 -0.19 -0.23 0.08 0.16 -0.16 -0.21 0.07 0.14 0.12 -0.11 0.10 -0.07 -0.14 -0.05 -0.09 -0.12 -0.10 0.06 0.01 0.10 -0.00 -0.17 0.02 -0.15 -0.06 -0.01 0.04 -0.08 -0.01 -0.00 -0.01 -0.03 -0.03 0.03 -0.00 -0.02 -0.00 0.02 0.03 -0.00 0.04 -0.09 0.09 -0.00 -0.05 -0.01 -0.01 0.00 0.02 -0.01 0.01 -0.03 -0.02 0.04 -0.01 0.04 0.02 0.08 -0.02 -0.04 -0.06 0.02 0.03 -0.05 -0.03 0.05 0.02 0.03 -0.05 -0.01 -0.00 0.03 -0.03 -0.00 -0.03 -0.01 0.03 0.01 0.04 -0.01 -0.01 0.01 -0.02 0.05 -0.02 -0.01 -0.00 -0.01 -0.01 0.01 -0.01 -0.01 0.01 -0.03 -0.02 0.01 -0.02 0.00 0.01 -0.01 -0.00 0.00 0.01 0.01 0.00 -0.05 -0.04 0.05 -0.04 0.06 0.02 -0.04 0.36 -0.31 0.50 -0.22 -0.13 -0.18 -0.17 0.29 -0.11 -0.01 0.09 -0.06 0.03 0.02 -0.09 0.10 -0.00 -0.06 -0.06 0.06 -0.09 0.01 -0.04 -0.08 0.05 -0.02 0.05 0.08 0.00 -0.00 -0.04 0.04 0.19 0.06 -0.04 -0.03 0.04 0.10 -0.00 -0.12 -0.12 0.05 -0.13 0.08 0.04 0.06 0.13 -0.05 -0.04 0.05 0.02 -0.01 0.02 -0.06 -0.01 -0.02 -0.04 0.00 0.03 -0.04 0.02 -0.01 -0.00 -0.01 -0.01 0.02 0.00 -0.01 0.00 0.02 0.02 0.01 0.02 0.06 -0.04 -0.06 0.05 0.03 0.01 -0.02 0.03 0.00 -0.02 -0.05 -0.01 -0.03 0.00 0.06 -0.01 -0.03 -0.02 0.04 0.09 0.01 -0.01 -0.10 -0.04 -0.04 -0.01 0.02 0.03 -0.04 -0.00 -0.04 0.03 -0.02 0.03 0.01 -0.02 -0.03 -0.01 0.09 0.00 0.02 -0.00 -0.02 0.03 -0.02 0.02 0.02 -0.01 0.01 0.03 -0.00 -0.00 -0.01 -0.02 -0.02 -0.00 0.01 -0.01 -0.00 -0.00 -0.01 -0.02 -0.01 -0.01 -0.07 0.01 -0.03 0.03 0.08 -0.01 -0.05 0.15 0.04 0.05 -0.12 -0.01 -0.16 -0.09 0.15 -0.28 -0.18 -0.14 0.48 -0.17 -0.14 0.10 0.37 0.25 -0.13 -0.06 -0.03 0.05 -0.04 0.03 -0.05 0.00 -0.04 0.09 0.01 -0.07 0.03 -0.08 0.04 0.08 0.23 -0.07 -0.05 0.13 0.18 -0.04 0.00 -0.06 -0.00 0.06 -0.04 0.00 -0.05 -0.07 -0.01 -0.07 -0.02 0.00 0.03 -0.02 -0.04 -0.01 -0.07 -0.02 0.00 0.01 -0.01 0.02 -0.02 0.01 -0.01 0.00 -0.02 -0.02 0.00 -0.03 -0.01 -0.02 0.06 0.22 -0.01 -0.03 0.04 -0.01 0.06 -0.03 -0.05 -0.02 -0.01 0.00 -0.01 -0.02 0.01 -0.00 -0.01 -0.01 -0.05 0.01 0.01 -0.08 -0.02 0.00 -0.02 -0.02 0.02 0.01 0.07 -0.02 -0.01 -0.01 0.02 0.06 -0.03 0.05 0.00 0.00 0.01 0.02 -0.02 -0.01 0.05 -0.03 -0.01 0.10 -0.07 0.11 0.08 -0.04 0.07 0.09 -0.03 0.02 -0.05 -0.09 -0.07 -0.09 0.07 0.00 -0.01 -0.00 -0.03 -0.07 -0.04 -0.04 0.00 -0.02 0.00 -0.02 -0.02 -0.01 -0.01 -0.12 0.12 -0.21 0.10 0.05 0.03 0.07 -0.13 0.08 0.06 0.08 -0.28 0.06 0.08 -0.10 -0.18 -0.15 -0.04 -0.02 0.02 -0.01 -0.12 0.03 -0.01 0.01 -0.01 0.02 0.02 0.00 0.01 -0.01 0.02 0.07 -0.02 -0.01 0.01 -0.01 0.01 0.01 -0.03 -0.06 0.04 0.06 -0.04 0.01 -0.09 -0.06 -0.07 -0.34 -0.06 -0.02 0.10 -0.06 -0.21 -0.05 -0.26 -0.23 0.06 0.18 -0.17 0.23 -0.13 0.04 -0.05 -0.01 -0.06 -0.13 -0.01 -0.14 0.01 -0.09 -0.03 0.01 -0.04 0.15 0.00 0.05 -0.00 -0.06 0.01 -0.03 0.04 0.03 -0.07 0.02 0.03 -0.02 0.07 0.09 -0.05 0.12 -0.01 -0.01 -0.01 -0.00 -0.06 -0.08 -0.08 0.02 0.03 0.05 -0.02 -0.07 -0.08 -0.02 0.01 -0.06 0.10 -0.16 -0.04 -0.01 0.04 -0.01 0.02 -0.02 0.05 -0.02 -0.01 -0.08 -0.01 -0.00 -0.06 -0.00 -0.02 -0.02 0.02 -0.03 0.02 -0.04 0.06 0.03 0.01 0.01 0.03 0.04 0.03 0.04 -0.15 0.04 0.02 -0.01 0.10 0.09 -0.00 -0.06 0.11 -0.25 0.29 0.08 0.05 0.20 -0.25 0.07 0.04 -0.03 -0.06 0.00 0.03 0.01 -0.11 -0.02 -0.03 -0.10 -0.06 -0.03 0.07 -0.05 0.11 -0.16 -0.01 0.17 -0.20 -0.12 0.14 -0.18 0.07 -0.01 0.15 -0.06 -0.00 0.05 0.11 -0.01 0.02 -0.00 0.06 -0.21 0.12 0.08 0.11 0.19 0.00 0.03 0.06 0.05 -0.12 0.02 0.02 -0.01 0.08 -0.09 0.09 0.15 -0.07 0.18 -0.04 0.02 -0.02 0.00 0.08 0.02 0.00 0.02 0.06 0.08 -0.00 -0.05 0.01 -0.02 -0.01 -0.00 -0.02 -0.13 0.01 0.01 -0.01 -0.01 0.02 -0.00 -0.01 0.01 -0.03 -0.01 0.02 -0.05 0.00 0.02 -0.01 -0.00 0.03 0.03 0.00 -0.00 -0.03 -0.00 0.01 0.03 0.01 -0.00 0.00 0.00 -0.03 0.05 0.00 -0.02 0.01 0.01 -0.02 -0.00 -0.01 0.01 -0.01 -0.03 0.01 -0.02 -0.02 0.01 -0.04 -0.02 0.14 0.07 -0.06 -0.15 0.16 0.07 -0.01 0.01 0.02 0.02 0.02 0.03 0.03 -0.01 -0.01 0.01 -0.04 -0.01 -0.00 0.03 -0.04 0.09 -0.11 -0.03 -0.03 -0.08 0.10 -0.03 -0.03 -0.03 0.08 -0.03 -0.02 0.02 0.04 0.04 0.03 0.04 -0.00 0.02 0.01 0.01 -0.03 0.04 0.00 -0.06 0.05 0.03 -0.05 0.06 -0.04 -0.05 -0.01 0.02 -0.02 0.00 -0.03 -0.01 0.02 0.04 -0.03 0.03 -0.01 -0.03 -0.02 -0.03 0.16 0.19 -0.08 0.12 0.11 -0.06 0.26 -0.00 -0.05 -0.32 0.19 0.38 -0.26 0.45 -0.14 0.07 -0.09 -0.02 0.12 -0.07 -0.02 -0.06 0.12 0.09 0.01 0.08 -0.02 0.14 0.04 0.03 -0.02 -0.05 0.01 -0.03 -0.06 0.02 0.00 -0.01 -0.03 0.01 -0.10 0.07 -0.02 -0.10 0.04 0.01 -0.15 -0.02 0.09 0.10 -0.08 0.04 -0.01 0.04 0.03 0.08 -0.07 0.01 0.03 -0.02 -0.07 0.07 -0.06 -0.12 0.12 0.05 0.00 0.01 0.02 0.01 0.01 -0.02 0.01 0.02 -0.02 -0.00 -0.01 -0.00 -0.10 -0.07 0.04 0.03 0.01 -0.01 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.03 -0.01 -0.03 0.04 -0.14 0.07 -0.04 -0.01 0.00 0.06 -0.19 -0.01 -0.08 -0.15 0.15 -0.01 -0.14 -0.17 0.09 -0.23 -0.01 0.03 -0.17 0.04 0.13 0.12 -0.09 -0.01 0.05 -0.02 -0.03 0.05 -0.02 -0.16 0.04 -0.01 -0.11 0.10 -0.17 -0.35 0.14 0.04 -0.12 0.11 -0.01 -0.05 0.16 0.28 0.01 -0.05 0.05 0.02 0.05 0.07 -0.12 -0.17 0.08 -0.07 -0.15 0.04 -0.22 0.01 0.07 0.03 0.01 -0.01 0.04 0.01 -0.00 0.01 0.02 0.02 -0.02 -0.00 0.02 0.00 -0.01 -0.02 0.01 -0.04 -0.05 0.19 -0.01 -0.02 -0.00 0.15 -0.02 -0.02 -0.01 0.02 -0.02 -0.01 0.00 -0.00 -0.02 0.05 -0.02 0.00 0.00 -0.02 -0.05 -0.00 -0.01 0.00 -0.04 0.05 -0.02 -0.01 -0.01 0.00 -0.04 -0.03 -0.05 0.04 -0.00 -0.01 -0.04 -0.04 0.07 0.01 -0.02 -0.01 -0.03 -0.01 -0.01 0.16 -0.03 -0.04 0.16 -0.02 0.01 0.08 0.13 0.16 -0.08 -0.06 -0.09 0.01 -0.05 -0.04 -0.05 -0.05 -0.03 -0.05 -0.06 -0.00 0.00 -0.00 -0.03 0.05 -0.01 -0.02 0.02 -0.04 0.03 0.02 -0.01 0.01 -0.04 0.03 -0.02 -0.04 -0.05 -0.05 0.02 -0.01 -0.12 -0.02 0.01 -0.01 -0.04 -0.08 -0.17 0.01 0.00 -0.02 -0.03 0.00 -0.02 -0.04 0.00 -0.01 -0.03 -0.10 0.12 -0.02 -0.03 0.07 0.06 -0.03 0.07 0.07 -0.02 0.13 -0.10 -0.09 -0.11 -0.13 0.19 0.26 -0.19 0.03 0.43 -0.09 0.33 0.00 -0.22 -0.06 -0.13 -0.08 -0.09 -0.21 0.04 -0.05 -0.05 -0.07 -0.04 -0.03 -0.05 -0.05 -0.03 -0.04 -0.09 0.12 -0.03 -0.14 0.00 0.03 0.12 0.16 -0.02 -0.04 0.02 0.04 -0.03 0.03 0.05 -0.06 0.06 0.04 0.04 -0.04 0.03 0.02 -0.05 0.00 0.13 0.07 -0.04 -0.09 0.06 0.02 0.10 0.05 -0.04 -0.06 -0.05 -0.06 0.03 -0.07 0.01 -0.03 -0.05 -0.00 0.05 -0.09 0.03 -0.02 -0.08 -0.04 -0.03 -0.06 -0.03 0.03 -0.02 -0.04 0.09 -0.03 -0.05 -0.05 -0.06 0.02 -0.04 -0.05 0.01 0.04 0.03 0.04 -0.05 0.02 0.05 -0.09 0.10 0.04 0.01 0.02 -0.09 0.18 -0.13 -0.02 0.03 -0.06 0.17 -0.06 -0.08 -0.13 0.14 -0.15 -0.00 0.04 -0.01 0.08 0.21 0.07 -0.04 -0.09 -0.04 -0.06 0.07 -0.07 0.15 -0.05 -0.16 0.01 0.01 -0.07 -0.06 -0.18 -0.16 0.05 -0.10 -0.05 -0.18 0.01 -0.06 0.16 0.11 -0.31 0.11 0.13 0.07 0.20 0.09 0.08 -0.03 0.11 0.00 -0.04 0.18 -0.09 -0.06 -0.05 -0.05 0.03 -0.04 -0.03 0.02 -0.06 -0.05 -0.04 0.09 0.09 -0.04 0.08 0.04 0.14 0.01 -0.01 -0.02 -0.12 0.00 -0.05 0.00 -0.00 -0.00 0.03 0.03 0.17 0.08 0.04 0.00 0.01 -0.10 -0.02 0.15 0.17 0.02 -0.02 -0.15 0.10 -0.05 -0.04 -0.01 -0.02 -0.02 -0.05 -0.06 -0.03 -0.04 -0.00 -0.00 -0.00 -0.01 -0.00 -0.06 -0.03 0.09 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 0.25 0.18 -0.07 -0.03 -0.30 -0.03 0.11 0.13 -0.18 0.30 0.29 0.09 0.19 0.20 -0.06 -0.05 -0.15 -0.05 -0.01 -0.28 0.19 -0.03 -0.18 0.04 -0.07 -0.07 0.00 -0.02 -0.00 -0.00 -0.03 0.00 -0.11 0.03 0.03 -0.07 0.00 -0.01 -0.02 -0.03 0.23 -0.05 0.02 0.09 0.17 -0.03 0.10 0.01 -0.00 0.01 -0.01 -0.01 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.05 -0.12 -0.03 -0.04 -0.02 -0.04 -0.04 -0.09 -0.05 -0.07 0.04 0.04 -0.08 0.04 0.08 -0.09 0.08 0.04 0.04 -0.01 0.00 0.01 -0.02 0.01 0.05 0.05 -0.01 -0.05 -0.01 -0.04 0.07 0.05 -0.05 -0.02 0.01 -0.03 0.05 -0.09 0.02 -0.03 -0.03 -0.03 0.02 0.05 0.01 0.04 0.02 0.03 0.12 0.04 0.15 0.07 0.02 0.10 -0.02 -0.00 0.03 0.07 0.08 -0.00 0.10 0.10 -0.05 -0.11 -0.06 -0.12 -0.11 0.02 0.09 -0.15 0.14 0.03 0.00 -0.01 -0.14 0.17 -0.07 -0.02 0.07 -0.01 0.13 -0.02 -0.02 -0.11 0.10 -0.08 -0.00 0.04 -0.02 0.09 0.11 0.01 -0.00 -0.04 0.01 -0.03 0.09 -0.10 0.17 0.01 -0.20 -0.03 0.05 -0.12 0.01 -0.10 -0.12 0.01 -0.09 -0.02 -0.17 -0.00 -0.06 0.06 0.10 0.13 -0.08 -0.06 -0.01 -0.03 -0.02 -0.04 0.04 -0.01 -0.03 0.03 -0.06 0.03 0.05 -0.01 0.02 0.00 0.00 0.04 -0.04 0.14 0.10 0.05 -0.23 -0.23 0.09 -0.21 -0.08 -0.38 0.04 -0.04 0.01 -0.01 -0.02 -0.03 -0.02 -0.02 0.02 0.06 0.07 0.01 0.05 0.08 0.02 0.03 0.14 -0.04 0.02 -0.08 0.16 -0.14 -0.11 -0.10 -0.01 0.01 0.01 0.03 0.05 -0.04 -0.03 0.00 -0.01 0.03 -0.00 0.03 0.03 -0.05 0.01 -0.00 0.00 -0.03 -0.01 0.01 -0.01 -0.01 0.01 0.01 -0.03 0.01 -0.04 -0.02 0.01 -0.02 -0.01 0.02 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.01 0.02 0.01 0.02 0.07 0.07 0.02 -0.01 0.17 -0.05 0.05 -0.08 0.30 -0.11 -0.27 0.05 0.04 -0.09 0.33 -0.18 -0.12 -0.19 -0.26 -0.30 0.12 -0.22 -0.13 -0.36 -0.00 -0.04 0.03 0.04 -0.01 0.03 0.05 -0.05 0.05 0.06 -0.09 -0.04 0.06 -0.05 0.08 0.04 -0.00 -0.03 0.01 -0.00 -0.02 -0.01 0.01 -0.08 -0.04 0.06 -0.02 0.00 -0.02 -0.06 -0.01 0.01 -0.01 -0.02 0.04 0.00 -0.01 0.01 -0.01 0.03 0.01 -0.03 0.02 -0.01 0.01 -0.01 -0.02 0.00 0.04 0.03 -0.01 0.03 0.01 0.06 -0.07 -0.01 -0.02 -0.04 0.00 0.05 -0.00 0.03 -0.03 0.11 -0.01 -0.05 0.07 -0.02 0.01 0.05 0.07 -0.01 -0.02 -0.01 0.04 -0.04 0.02 -0.04 0.07 -0.08 -0.01 -0.02 0.04 0.04 0.01 -0.13 0.01 -0.07 0.00 -0.10 -0.06 0.06 -0.10 0.04 0.02 0.13 -0.01 -0.02 0.01 -0.05 -0.01 -0.09 0.04 -0.02 0.10 0.02 -0.01 0.06 0.02 -0.01 0.00 0.01 0.00 0.04 0.05 0.05 -0.03 -0.04 -0.02 -0.05 0.01 -0.01 0.01 0.08 0.14 -0.01 0.03 0.03 0.21 -0.16 -0.02 0.03 -0.07 -0.02 -0.00 -0.07 -0.02 0.08 -0.14 0.02 0.03 -0.10 0.07 -0.19 0.12 -0.06 -0.03 -0.05 0.06 -0.08 -0.10 0.06 -0.33 -0.07 0.26 0.05 -0.08 0.12 -0.19 -0.05 0.20 0.04 0.11 0.01 0.31 0.06 0.06 0.21 0.09 -0.10 -0.00 -0.05 0.03 0.10 -0.01 0.11 0.09 0.10 -0.12 0.01 0.07 -0.02 0.08 -0.06 -0.04 0.06 -0.05 -0.00 -0.00 0.05 0.05 -0.01 -0.10 -0.09 0.05 -0.09 -0.03 -0.18 0.06 -0.03 0.00 -0.04 -0.02 -0.06 -0.01 -0.03 0.02 0.04 -0.04 0.00 -0.07 -0.07 0.10 -0.02 0.09 -0.00 -0.01 0.04 -0.02 -0.02 0.02 0.05 0.01 -0.09 0.02 0.02 0.02 -0.07 0.20 0.03 -0.09 0.05 -0.01 0.07 -0.05 -0.01 -0.09 -0.02 0.03 0.09 0.01 0.02 -0.01 0.03 0.01 0.06 -0.03 0.02 -0.07 -0.02 0.01 -0.04 -0.01 0.02 -0.00 0.00 0.01 -0.03 -0.03 -0.03 0.02 0.02 0.01 0.03 -0.14 -0.09 0.12 -0.12 0.23 -0.02 -0.01 0.06 0.02 -0.04 0.11 0.02 -0.06 0.03 -0.13 -0.02 0.00 0.19 -0.09 0.09 0.04 -0.05 0.07 -0.02 -0.03 -0.17 0.06 0.03 -0.05 0.06 -0.13 0.03 0.05 -0.21 -0.00 0.04 -0.16 -0.11 -0.36 -0.26 0.08 0.05 -0.15 0.07 0.05 0.06 -0.08 0.41 -0.05 0.09 -0.01 0.04 -0.03 -0.09 0.00 -0.06 -0.05 -0.06 0.10 -0.01 -0.04 0.02 -0.06 0.06 0.03 -0.05 0.04 -0.01 0.01 -0.02 -0.03 0.01 0.07 0.05 -0.02 0.05 0.02 0.11 0.01 -0.01 -0.01 -0.03 0.00 -0.04 -0.00 -0.03 0.03 -0.09 0.01 -0.00 -0.01 0.02 0.10 -0.06 0.03 0.04 -0.01 -0.04 -0.04 0.02 0.03 -0.00 0.16 0.04 -0.01 -0.01 -0.02 -0.04 -0.15 -0.15 0.02 0.02 -0.02 0.05 0.02 -0.01 -0.07 0.00 0.02 0.04 0.01 0.01 -0.01 0.04 -0.01 0.09 -0.02 0.03 -0.06 -0.02 0.02 -0.05 -0.00 0.00 -0.01 0.02 0.02 -0.03 -0.01 -0.00 0.01 0.01 0.00 0.02 -0.10 -0.05 0.13 -0.13 0.14 0.03 -0.03 -0.07 -0.13 0.06 -0.07 -0.05 0.04 -0.02 0.05 0.04 0.05 -0.04 0.07 0.05 -0.06 0.06 -0.01 0.10 0.46 0.13 -0.06 -0.02 -0.08 0.03 0.09 -0.05 -0.39 0.17 0.14 -0.08 0.11 0.17 0.14 0.03 0.16 -0.03 0.17 -0.02 0.24 -0.00 0.14 -0.04 -0.03 -0.01 0.03 0.09 0.03 -0.03 0.02 -0.10 -0.08 -0.08 0.13 -0.01 -0.03 -0.00 -0.09 0.06 0.04 -0.06 0.05 0.00 0.01 0.01 -0.02 0.02 0.04 0.01 -0.01 0.02 0.01 0.05 0.04 -0.01 0.01 -0.01 -0.00 -0.03 0.05 -0.02 -0.11 -0.02 -0.00 -0.00 -0.01 -0.00 0.05 -0.02 0.01 0.01 -0.01 -0.01 -0.02 0.00 0.01 0.01 0.04 0.02 0.02 0.01 -0.01 -0.03 -0.03 -0.02 -0.01 0.04 0.12 0.00 0.01 -0.02 -0.02 -0.02 0.02 -0.01 0.03 0.07 0.03 -0.03 0.08 -0.12 0.03 -0.06 0.04 0.14 -0.05 0.13 -0.05 0.04 0.04 -0.09 -0.09 -0.02 -0.12 -0.12 -0.01 0.02 0.01 0.04 -0.04 -0.04 0.07 -0.06 0.07 0.00 -0.01 -0.02 -0.04 0.02 -0.01 -0.02 0.01 -0.01 -0.00 0.01 0.01 0.02 0.01 0.03 -0.01 0.01 0.01 0.03 0.12 0.02 0.01 0.07 0.21 0.02 0.03 -0.03 -0.05 0.05 -0.02 -0.04 0.04 0.01 0.04 -0.02 0.05 -0.02 0.01 0.01 0.03 -0.01 0.04 -0.01 0.05 0.41 -0.16 -0.28 -0.17 -0.13 -0.09 0.10 0.16 0.05 -0.22 0.05 -0.09 0.11 0.21 -0.15 -0.09 0.06 -0.10 -0.01 -0.06 -0.17 -0.09 -0.05 0.09 0.20 -0.13 0.14 0.00 0.27 0.01 -0.00 -0.00 -0.05 -0.01 -0.01 -0.02 0.02 0.01 0.17 -0.16 -0.04 0.01 -0.09 0.06 0.04 0.02 -0.01 -0.02 0.00 -0.02 -0.00 -0.03 0.09 0.06 0.09 0.07 0.02 0.02 -0.01 -0.10 0.06 -0.04 -0.00 -0.02 -0.01 0.04 -0.03 0.02 -0.10 0.09 -0.12 -0.01 -0.03 -0.00 -0.02 -0.01 -0.03 -0.00 0.00 0.01 -0.03 -0.00 0.00 0.01 -0.01 -0.01 0.01 0.01 0.02 0.03 0.03 -0.00 -0.01 -0.00 -0.01 -0.03 -0.23 0.12 0.01 0.13 -0.01 0.01 0.16 0.13 -0.09 0.15 0.05 -0.22 -0.06 -0.24 -0.04 -0.09 0.38 -0.12 0.09 0.08 -0.08 0.11 -0.06 0.23 0.16 0.03 0.00 -0.00 -0.01 0.12 -0.06 0.08 0.14 -0.17 -0.15 0.11 0.01 0.23 -0.08 0.05 -0.10 -0.09 0.08 -0.14 -0.11 0.10 -0.15 -0.01 -0.05 0.01 0.00 -0.00 0.01 0.00 0.04 0.02 0.04 -0.03 -0.00 0.04 -0.02 0.00 0.00 0.00 0.01 -0.00 0.00 0.01 0.03 0.03 0.00 -0.03 -0.04 0.03 -0.03 -0.01 -0.07 0.04 0.02 0.03 0.04 0.01 -0.05 -0.06 0.16 0.01 -0.06 0.04 -0.01 0.04 0.03 0.09 -0.01 -0.04 -0.01 -0.01 -0.02 -0.02 -0.00 0.04 -0.04 -0.00 -0.03 0.08 0.02 -0.04 -0.04 0.01 0.00 -0.04 0.01 0.01 0.10 0.01 -0.03 -0.04 -0.02 0.03 -0.01 -0.14 -0.05 0.07 0.02 -0.06 -0.11 0.01 -0.03 -0.07 -0.08 -0.02 0.08 0.08 -0.14 -0.06 0.04 0.03 0.00 0.09 0.02 0.01 -0.01 0.01 -0.00 0.11 -0.01 0.09 -0.05 0.01 -0.02 -0.01 -0.10 -0.08 0.03 -0.09 -0.05 0.09 0.00 0.08 0.03 0.06 -0.07 0.02 0.05 -0.06 0.02 0.00 0.01 -0.03 -0.14 0.12 0.01 0.16 0.13 0.00 -0.03 0.02 -0.00 -0.07 -0.06 0.00 -0.06 -0.04 -0.05 0.08 -0.03 -0.01 0.03 0.04 -0.01 0.03 0.03 -0.23 0.24 -0.02 -0.29 -0.24 -0.10 0.06 -0.08 0.01 0.14 -0.27 -0.05 0.09 -0.12 0.02 -0.04 0.08 0.21 -0.04 0.20 -0.13 -0.02 0.15 0.06 -0.19 0.10 0.12 0.05 -0.11 -0.14 -0.02 0.02 -0.01 -0.04 0.05 0.03 0.05 -0.04 0.01 -0.02 0.06 -0.06 0.13 0.05 0.15 0.03 -0.11 0.01 -0.01 -0.04 -0.02 0.01 0.09 -0.10 -0.03 -0.05 0.18 0.00 -0.09 0.05 0.00 0.03 -0.07 -0.01 0.02 -0.07 0.01 -0.06 -0.06 -0.06 0.08 -0.04 0.03 -0.00 -0.05 0.00 0.04 0.05 0.01 -0.02 0.06 0.00 -0.01 -0.09 -0.04 0.07 0.03 -0.02 -0.04 0.03 -0.00 -0.02 -0.02 -0.01 -0.00 -0.01 0.26 -0.04 0.16 0.05 -0.01 0.01 -0.00 -0.13 -0.02 -0.03 -0.17 -0.09 0.10 -0.01 0.12 0.03 0.10 -0.08 0.01 0.12 -0.12 0.02 0.08 -0.07 -0.14 -0.30 0.28 0.00 -0.05 -0.08 0.00 -0.05 0.11 -0.01 -0.18 -0.13 0.00 -0.14 -0.06 -0.10 0.17 -0.09 -0.05 0.09 0.03 -0.04 0.08 0.02 0.03 -0.27 0.08 0.16 0.18 0.13 -0.03 0.01 -0.02 -0.08 0.14 0.02 -0.07 0.08 -0.01 -0.05 -0.04 0.06 -0.06 -0.02 -0.01 -0.04 0.02 -0.02 -0.05 0.04 0.00 0.02 -0.04 -0.03 0.00 -0.03 0.00 0.00 -0.01 -0.00 0.03 0.01 0.01 0.01 -0.01 0.01 -0.02 -0.01 -0.02 -0.00 0.02 -0.00 0.00 0.01 0.01 -0.00 -0.02 0.02 0.00 0.01 -0.03 -0.00 0.01 -0.01 -0.00 -0.00 0.01 0.00 0.03 -0.00 -0.00 0.01 0.01 0.01 -0.01 0.01 -0.02 -0.01 -0.01 0.03 0.04 0.03 0.02 -0.03 0.01 -0.02 -0.03 -0.06 -0.03 0.05 0.02 0.02 -0.04 0.01 0.08 -0.07 -0.03 -0.03 0.02 -0.00 -0.05 0.00 -0.03 -0.01 0.01 -0.00 0.00 0.03 0.01 0.00 0.03 0.02 -0.02 0.00 -0.02 -0.01 -0.02 0.02 -0.01 -0.02 0.02 -0.01 -0.01 0.00 0.03 0.05 -0.05 0.01 0.01 -0.01 0.00 0.01 -0.02 0.00 0.03 0.02 -0.00 0.02 0.01 0.02 -0.03 0.02 0.01 -0.01 -0.01 0.01 -0.01 -0.00 -0.08 -0.11 0.07 0.03 0.07 0.06 -0.02 -0.04 -0.02 -0.07 0.07 0.01 -0.09 0.08 0.00 -0.10 0.05 0.38 -0.20 0.19 -0.24 -0.22 0.25 0.05 -0.40 0.41 0.13 0.23 -0.27 -0.11 -0.09 -0.01 -0.07 -0.01 0.02 0.04 -0.11 -0.04 -0.00 0.05 -0.01 -0.02 0.04 0.01 -0.00 0.01 -0.03 0.01 0.01 0.00 0.01 0.00 0.01 -0.03 -0.01 -0.01 0.02 -0.04 -0.02 0.05 -0.00 0.01 -0.01 -0.07 -0.07 -0.04 0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.09 0.11 0.02 0.04 -0.07 0.07 0.00 0.09 -0.05 0.04 0.13 0.14 0.07 -0.10 -0.03 0.03 0.03 -0.11 -0.02 -0.13 -0.01 0.00 0.01 0.05 0.06 -0.01 -0.00 0.07 -0.03 0.02 0.02 0.03 0.07 -0.03 -0.01 0.00 -0.02 -0.01 -0.00 -0.02 -0.00 0.02 -0.02 0.02 -0.01 -0.02 0.05 -0.07 -0.04 -0.04 0.03 -0.15 -0.14 -0.07 -0.00 0.00 0.03 -0.00 -0.02 -0.01 -0.00 -0.01 -0.00 -0.01 0.02 -0.01 -0.01 0.01 -0.00 -0.01 0.01 -0.01 0.33 0.21 -0.16 0.04 0.02 -0.06 0.09 -0.13 -0.08 0.02 0.01 -0.04 0.09 -0.13 -0.10 0.11 0.15 0.03 -0.04 0.05 -0.18 -0.20 0.09 0.10 -0.16 0.43 -0.03 0.27 -0.17 0.20 -0.10 -0.10 -0.02 0.03 0.01 -0.00 0.08 0.06 0.00 0.08 -0.02 -0.02 0.00 -0.00 -0.01 -0.01 -0.00 -0.01 0.03 0.02 0.03 0.00 0.00 -0.02 0.00 0.00 -0.01 -0.05 -0.05 0.02 -0.00 0.00 0.00 -0.09 0.14 -0.01 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.15 0.11 0.04 0.18 0.02 0.10 0.11 -0.05 -0.00 -0.01 -0.03 -0.08 0.05 -0.10 -0.01 -0.01 0.01 -0.04 -0.09 -0.00 0.01 0.01 -0.01 0.01 -0.00 -0.01 -0.01 0.03 0.02 0.00 0.04 0.08 0.11 -0.02 0.03 0.03 -0.04 -0.00 -0.00 -0.04 -0.03 0.05 -0.05 -0.01 0.02 -0.04 0.06 -0.11 0.01 0.02 -0.01 -0.15 0.17 -0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 -0.00 -0.01 -0.25 -0.02 0.16 -0.19 0.18 0.17 0.07 -0.45 -0.14 -0.11 -0.04 -0.03 -0.20 0.04 -0.05 -0.11 -0.07 -0.07 0.08 0.07 0.00 0.06 -0.16 -0.02 0.25 -0.14 -0.14 -0.07 0.14 0.18 0.12 -0.00 0.04 -0.04 -0.00 -0.02 -0.13 0.02 0.11 -0.05 0.02 0.02 -0.04 -0.01 0.01 0.02 0.02 0.01 -0.01 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.02 0.06 0.00 -0.02 0.00 -0.00 0.00 0.09 0.06 -0.07 0.00 0.00 0.01 0.01 -0.01 0.01 0.04 0.12 -0.09 0.02 -0.01 -0.10 0.10 0.00 0.19 -0.13 0.13 -0.06 0.08 -0.13 -0.07 -0.06 -0.08 0.06 -0.08 -0.06 -0.04 -0.02 -0.01 -0.02 -0.09 -0.01 0.01 -0.03 0.02 0.00 -0.02 -0.03 -0.05 0.02 -0.00 -0.01 0.02 0.01 0.01 0.02 0.02 -0.04 0.03 -0.01 -0.00 0.02 -0.04 0.06 0.02 0.03 -0.03 0.23 0.10 -0.05 0.00 -0.00 -0.01 0.00 0.02 0.01 0.00 0.01 0.01 0.01 -0.02 0.01 0.00 -0.01 -0.00 0.01 -0.01 0.00 0.02 -0.26 0.11 0.39 0.40 0.10 0.05 -0.11 0.01 0.15 -0.27 -0.06 0.07 -0.10 0.02 -0.14 -0.14 0.04 -0.11 -0.12 0.03 -0.09 -0.07 -0.08 0.05 0.06 -0.13 0.03 0.01 0.11 -0.06 -0.03 0.05 0.07 -0.05 0.03 0.03 -0.02 -0.01 -0.11 -0.06 0.04 0.23 0.08 -0.06 -0.03 0.17 -0.11 -0.11 -0.11 -0.15 -0.01 -0.10 0.17 -0.00 -0.01 0.06 -0.03 0.17 -0.01 0.00 -0.00 -0.01 -0.04 0.01 0.03 0.00 -0.01 -0.03 -0.01 0.01 -0.00 -0.00 0.07 0.00 -0.00 -0.02 0.01 0.01 -0.00 0.02 0.02 0.02 -0.04 0.01 -0.03 -0.01 -0.00 -0.01 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.43 0.14 -0.10 0.01 0.10 -0.10 -0.15 -0.20 -0.32 -0.01 -0.06 -0.12 -0.04 -0.08 -0.17 0.04 -0.08 0.22 0.02 -0.01 0.09 0.03 -0.13 0.28 -0.17 -0.14 0.12 -0.01 0.01 0.03 -0.02 0.00 0.04 -0.02 -0.05 -0.04 -0.01 -0.06 -0.06 0.01 0.06 -0.03 0.03 0.00 0.05 -0.01 0.04 -0.01 -0.02 0.01 0.04 0.04 0.10 0.02 0.01 -0.03 -0.01 0.01 -0.02 -0.01 0.00 -0.03 -0.01 0.01 -0.01 -0.01 -0.01 -0.03 0.01 -0.02 -0.00 -0.01 -0.01 0.03 -0.01 0.01 -0.01 0.01 -0.06 0.05 0.05 0.08 -0.00 -0.05 0.11 -0.10 -0.03 0.05 0.00 -0.01 -0.05 -0.02 0.02 -0.04 -0.05 -0.04 0.05 0.04 0.05 0.00 0.02 -0.05 0.01 0.01 0.01 -0.06 -0.03 -0.03 -0.00 -0.00 -0.00 -0.08 0.04 0.18 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.05 0.25 0.03 -0.15 -0.11 -0.03 -0.11 -0.02 0.00 0.09 0.08 -0.15 0.03 -0.10 -0.04 -0.05 -0.09 0.14 0.08 0.02 -0.02 -0.00 0.01 -0.04 -0.00 -0.03 0.02 -0.04 -0.04 -0.04 0.05 0.07 0.09 0.02 0.03 0.05 0.02 0.03 0.05 -0.03 0.00 -0.01 -0.04 0.01 -0.01 -0.03 0.07 -0.12 0.08 0.04 -0.01 -0.10 0.06 0.18 0.01 -0.01 -0.02 0.01 0.00 -0.01 0.01 0.01 0.01 -0.02 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.01 0.02 -0.11 0.31 0.09 0.17 0.19 -0.12 0.01 0.10 0.03 0.10 -0.10 -0.03 0.19 -0.20 -0.05 0.08 -0.06 0.01 -0.09 -0.25 0.18 -0.03 0.09 -0.12 -0.20 -0.01 0.15 -0.03 -0.07 -0.27 -0.10 0.04 0.18 0.15 -0.04 -0.04 0.00 -0.00 0.01 0.01 0.00 0.00 -0.07 -0.07 0.02 -0.10 -0.07 -0.19 0.06 0.06 0.07 -0.00 0.03 -0.05 0.03 0.02 0.08 -0.13 0.09 -0.04 -0.00 0.00 -0.00 -0.00 -0.08 0.06 -0.00 -0.02 -0.05 0.01 0.00 0.01 -0.02 -0.11 -0.06 -0.01 0.01 -0.06 0.11 0.05 0.13 0.00 0.01 -0.01 -0.03 0.05 -0.00 0.06 0.09 -0.13 -0.06 -0.05 -0.00 -0.01 -0.02 0.03 0.20 -0.07 -0.02 -0.11 -0.14 -0.20 0.05 0.05 0.03 0.10 0.05 0.07 0.09 0.07 0.09 -0.03 0.01 -0.02 -0.04 0.02 -0.02 -0.04 0.07 -0.12 0.24 0.12 0.02 0.15 -0.08 0.07 0.03 -0.03 -0.08 0.03 -0.03 -0.08 0.02 0.01 0.01 -0.05 0.01 0.00 -0.03 0.02 0.00 0.02 -0.03 0.08 -0.02 -0.29 0.04 0.19 0.03 0.03 -0.07 0.17 0.10 0.07 -0.07 0.01 0.01 0.05 0.09 0.02 0.09 -0.09 0.05 0.09 -0.13 -0.00 -0.04 0.15 0.09 0.15 -0.16 0.10 0.00 0.28 0.03 -0.10 -0.02 -0.01 -0.08 0.08 -0.02 0.01 -0.01 -0.12 0.04 0.04 -0.06 -0.20 -0.02 0.11 -0.07 -0.09 0.02 0.04 0.06 -0.03 0.06 -0.07 0.03 -0.01 0.11 0.03 0.33 -0.02 -0.00 0.00 -0.00 -0.02 0.04 -0.10 -0.01 -0.01 -0.02 -0.02 0.03 -0.03 0.02 0.05 0.01 0.04 0.01 0.06 -0.06 -0.03 -0.10 0.00 -0.01 0.05 0.02 -0.02 0.01 -0.03 -0.06 0.07 0.02 0.03 0.00 0.01 0.01 -0.01 0.12 -0.24 -0.02 0.09 -0.34 -0.09 0.01 -0.02 -0.02 0.07 0.03 0.06 0.12 0.08 0.14 0.06 0.13 -0.24 0.05 0.05 -0.12 0.04 -0.07 0.06 0.26 0.14 0.04 0.01 0.02 -0.10 0.03 -0.02 -0.05 0.04 -0.04 -0.09 0.02 0.03 0.06 -0.09 0.04 -0.04 -0.07 0.05 -0.03 0.00 -0.02 0.06 0.14 0.07 -0.07 -0.14 0.03 0.06 0.05 -0.17 -0.09 -0.08 0.08 0.00 -0.07 0.01 -0.07 -0.03 -0.06 0.07 -0.02 -0.02 0.06 -0.00 0.01 -0.10 -0.03 -0.10 0.09 -0.06 0.01 -0.15 0.07 -0.04 -0.10 -0.08 -0.02 0.02 0.10 -0.03 -0.02 -0.06 0.02 0.02 0.02 -0.06 -0.01 0.12 -0.01 0.11 -0.02 -0.01 -0.01 -0.02 0.02 -0.02 0.01 -0.03 -0.01 0.11 0.11 -0.02 0.01 -0.01 -0.00 -0.08 -0.05 0.09 -0.00 0.02 0.04 -0.03 0.02 -0.03 -0.14 0.02 0.03 -0.10 -0.06 -0.03 0.05 0.06 0.15 0.04 0.00 -0.10 -0.03 -0.01 -0.02 0.04 0.13 -0.13 -0.01 -0.05 -0.00 -0.01 -0.02 0.03 -0.12 -0.09 0.02 0.09 -0.10 0.11 -0.01 -0.02 0.01 -0.04 -0.01 -0.01 -0.00 -0.00 0.01 0.05 0.08 -0.13 0.06 0.02 -0.07 0.04 -0.07 0.09 -0.04 -0.06 -0.00 -0.23 -0.02 0.08 -0.01 0.02 0.05 -0.01 0.03 0.06 -0.01 0.02 0.03 -0.03 0.04 -0.04 -0.01 0.02 -0.02 -0.03 0.03 -0.04 -0.36 -0.03 0.18 -0.07 0.04 0.02 -0.06 0.28 0.11 0.12 -0.04 0.00 0.17 -0.13 0.01 0.14 0.15 -0.21 0.04 -0.04 -0.07 0.02 0.01 0.19 0.00 0.21 -0.10 0.12 -0.05 0.23 -0.04 -0.05 -0.08 -0.02 -0.05 0.01 -0.02 0.01 0.03 0.09 -0.05 -0.02 -0.00 0.12 -0.02 -0.09 -0.11 0.15 0.02 -0.03 -0.02 0.01 0.02 -0.05 -0.01 0.12 0.04 -0.00 0.19 -0.03 -0.04 0.05 0.02 0.06 -0.03 0.08 0.01 -0.06 -0.15 0.05 -0.07 0.10 0.06 -0.01 0.03 0.02 0.02 -0.04 0.04 -0.02 0.01 -0.04 0.01 -0.05 -0.01 0.03 -0.01 0.02 -0.03 0.01 -0.02 0.01 -0.00 -0.00 -0.00 -0.01 0.02 0.04 0.01 -0.11 -0.32 0.15 0.04 0.12 0.14 -0.09 0.02 0.00 -0.16 -0.09 -0.12 0.01 0.01 0.01 0.01 0.05 -0.08 0.00 0.05 -0.06 -0.35 -0.04 0.12 -0.06 0.01 0.07 -0.00 -0.05 -0.03 -0.01 -0.16 -0.21 0.00 -0.12 -0.14 0.17 -0.10 0.13 0.13 -0.09 0.11 0.03 0.00 -0.01 -0.08 0.17 0.01 0.16 -0.14 -0.19 -0.03 0.02 0.04 0.03 -0.08 -0.00 -0.06 0.08 0.07 -0.09 -0.06 0.10 0.01 0.08 -0.04 -0.00 -0.02 -0.02 0.05 -0.05 -0.03 -0.02 0.03 0.01 -0.08 -0.01 -0.02 0.01 -0.03 -0.01 -0.04 0.02 0.03 0.01 -0.03 0.01 0.08 0.01 0.04 -0.07 -0.05 0.07 0.01 0.01 0.01 0.00 0.03 -0.07 0.08 -0.14 -0.10 -0.05 0.11 -0.03 0.05 -0.10 -0.03 0.04 -0.03 0.08 0.01 0.09 0.22 -0.09 0.07 -0.13 0.08 -0.02 0.01 0.04 0.03 -0.04 0.05 -0.04 -0.01 -0.04 0.02 -0.03 -0.01 0.04 -0.00 0.02 -0.05 0.02 -0.02 0.02 0.00 -0.00 0.00 -0.01 0.01 0.10 0.01 -0.11 0.02 0.07 0.01 0.01 0.03 -0.00 0.00 0.01 0.01 0.01 -0.01 0.01 0.03 -0.01 -0.01 0.08 -0.10 -0.00 0.06 -0.06 -0.03 -0.31 -0.04 -0.02 -0.01 0.07 -0.05 0.11 0.16 -0.06 0.22 0.37 -0.03 0.08 0.10 -0.14 0.19 -0.20 -0.04 0.06 -0.05 -0.08 0.12 -0.12 0.02 0.13 -0.03 0.21 -0.12 -0.19 -0.03 -0.03 0.03 0.00 -0.09 -0.00 -0.11 0.13 0.08 -0.12 -0.08 0.15 0.01 0.12 -0.06 -0.00 -0.02 -0.04 0.07 -0.09 -0.03 -0.04 0.04 -0.01 0.04 -0.01 0.13 0.01 -0.04 -0.07 0.02 -0.01 -0.03 0.06 -0.03 -0.00 -0.01 0.08 0.05 -0.07 -0.09 0.07 0.00 -0.01 -0.02 0.01 0.01 -0.03 0.05 0.02 -0.07 0.02 0.10 -0.07 -0.01 -0.02 -0.01 -0.00 0.06 -0.10 0.02 0.02 0.04 -0.02 -0.01 -0.00 -0.08 -0.00 -0.05 -0.02 -0.02 0.05 -0.07 0.05 -0.01 0.06 -0.02 0.08 0.02 -0.05 0.01 -0.05 0.05 0.01 0.03 -0.02 -0.00 0.01 0.00 0.00 -0.06 0.11 0.04 -0.18 -0.03 0.06 0.02 0.04 0.05 -0.04 -0.00 -0.02 -0.06 -0.04 -0.07 -0.01 -0.01 0.04 -0.01 0.03 -0.03 -0.01 0.05 -0.06 -0.33 -0.27 0.06 0.21 0.01 -0.09 -0.04 0.04 0.08 -0.05 0.04 0.10 -0.02 -0.03 -0.06 0.06 0.04 -0.02 0.09 -0.04 0.06 -0.04 0.09 -0.11 0.08 -0.28 0.00 -0.24 0.20 0.30 0.05 -0.05 -0.08 -0.03 0.12 0.00 0.08 -0.13 -0.12 0.15 0.09 -0.17 -0.02 -0.17 0.12 -0.01 0.02 0.00 -0.11 0.10 0.05 0.03 -0.04 -0.03 0.00 -0.01 -0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 0.05 0.00 0.01 0.03 0.10 0.03 -0.04 -0.04 0.04 -0.02 -0.03 -0.05 0.01 0.01 -0.01 -0.13 -0.08 0.01 0.01 0.04 -0.01 0.03 0.01 -0.02 0.03 0.01 -0.01 -0.02 -0.01 0.02 0.04 0.02 -0.01 -0.01 -0.01 0.00 -0.00 0.00 0.01 -0.01 0.02 0.01 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.01 0.02 0.02 0.00 -0.01 -0.01 -0.00 -0.00 -0.01 0.08 0.17 -0.00 -0.04 -0.15 0.04 -0.02 -0.02 -0.01 -0.05 -0.05 -0.06 -0.04 -0.05 -0.03 -0.02 -0.02 0.04 -0.02 0.00 0.01 -0.01 0.05 -0.07 0.68 0.36 -0.20 0.03 0.03 -0.01 0.04 -0.04 -0.13 0.06 0.07 0.03 0.03 0.10 0.11 -0.10 -0.08 0.04 -0.19 0.08 -0.14 0.07 -0.17 0.17 -0.03 -0.01 0.01 -0.04 -0.02 0.02 0.01 -0.01 -0.02 -0.00 0.02 0.00 0.02 -0.03 -0.02 0.05 0.03 -0.05 0.00 -0.06 0.06 -0.01 0.00 -0.01 -0.03 0.05 -0.01 0.01 -0.01 0.00 -0.04 -0.01 -0.05 0.01 0.01 0.03 0.01 -0.02 0.01 -0.02 -0.02 -0.00 0.01 -0.03 -0.02 -0.02 0.02 -0.03 0.01 0.02 0.03 -0.00 0.00 -0.01 0.03 0.01 0.01 -0.03 -0.01 0.02 -0.00 -0.01 0.00 0.10 0.04 -0.02 0.00 0.01 -0.00 -0.01 0.00 -0.01 0.01 -0.13 0.06 0.03 0.03 -0.00 -0.01 0.11 0.03 -0.01 0.00 -0.06 0.03 -0.03 0.00 -0.02 0.10 0.19 -0.04 -0.09 -0.07 -0.03 -0.01 -0.09 0.04 -0.04 -0.03 -0.00 0.04 -0.03 0.00 0.01 -0.01 0.04 0.04 0.04 0.03 0.02 0.01 0.00 0.00 0.00 -0.00 0.02 -0.03 0.00 0.00 0.01 -0.09 -0.05 0.04 0.03 0.23 0.01 -0.00 0.01 0.03 -0.01 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 0.03 -0.02 0.02 -0.01 0.03 -0.01 0.03 -0.02 -0.16 0.14 0.01 -0.10 -0.31 -0.11 0.06 -0.12 -0.07 -0.03 0.02 -0.01 -0.01 -0.02 -0.05 0.34 0.18 -0.13 0.10 -0.22 0.40 -0.12 -0.03 -0.10 -0.11 0.32 -0.22 0.07 -0.03 0.07 0.03 0.01 0.05 -0.00 -0.01 -0.03 0.01 -0.00 -0.02 0.02 0.03 0.00 -0.03 0.02 0.03 0.06 -0.02 0.02 -0.02 -0.01 -0.04 0.00 -0.00 0.03 -0.01 0.00 -0.01 0.03 0.01 -0.03 -0.00 0.01 -0.00 -0.13 -0.09 0.03 0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.06 0.04 -0.02 0.01 -0.02 -0.01 0.02 0.00 -0.08 0.04 0.03 0.05 -0.02 0.04 0.00 0.17 -0.02 0.18 -0.11 -0.03 -0.06 -0.07 0.01 -0.12 -0.07 0.01 0.03 0.04 -0.03 0.02 -0.00 -0.02 0.02 -0.06 -0.06 -0.06 -0.02 -0.02 0.01 -0.00 0.00 -0.02 0.00 -0.05 0.06 -0.00 -0.02 0.00 0.01 0.00 -0.01 -0.09 -0.19 0.02 0.00 -0.01 -0.02 0.00 0.01 0.01 0.00 0.00 -0.00 0.02 -0.03 0.02 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.09 -0.12 -0.02 0.00 0.14 0.08 -0.03 0.03 0.03 -0.01 -0.01 0.00 -0.06 0.08 0.05 0.14 0.08 0.42 0.23 0.35 0.07 -0.10 -0.06 -0.10 0.27 0.00 -0.44 0.07 0.01 0.13 -0.02 0.03 0.06 -0.01 -0.01 -0.09 -0.00 -0.00 -0.01 -0.09 -0.13 0.02 0.20 -0.06 -0.15 -0.06 0.13 0.17 0.08 0.01 0.11 -0.06 0.04 -0.11 -0.05 -0.03 0.07 0.00 -0.06 -0.04 0.01 0.02 0.01 -0.00 -0.01 0.02 -0.01 -0.00 -0.04 0.00 0.01 -0.01 -0.02 0.01 -0.04 0.01 0.01 0.00 -0.01 0.00 -0.03 0.03 0.00 0.05 0.01 0.00 -0.00 0.01 -0.00 0.02 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.16 -0.29 -0.01 -0.09 -0.08 0.16 0.05 0.17 0.08 0.12 0.26 0.25 -0.11 -0.03 -0.13 0.11 0.13 -0.14 0.10 0.20 -0.33 0.08 -0.10 0.22 0.11 0.22 -0.03 0.07 -0.06 0.01 0.02 -0.01 0.02 0.02 -0.08 -0.12 0.01 -0.02 0.01 -0.03 0.00 -0.00 -0.04 0.02 -0.02 0.01 -0.03 0.04 0.06 -0.15 -0.01 0.01 0.12 0.09 0.00 -0.03 -0.00 -0.00 -0.02 -0.00 -0.02 0.03 0.01 0.02 0.01 0.02 0.02 0.01 0.02 -0.01 -0.01 -0.03 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 0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.00 0.00 0.02 -0.00 0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.03 -0.03 0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 0.02 0.01 -0.01 0.01 -0.01 -0.02 0.01 0.01 0.01 0.01 0.02 -0.01 -0.01 0.00 0.01 -0.02 0.03 0.01 0.11 -0.11 -0.03 -0.02 -0.01 0.01 0.02 -0.02 0.01 0.00 -0.00 0.01 -0.02 -0.02 -0.02 -0.01 -0.01 0.01 0.00 0.00 -0.02 0.00 -0.02 0.02 0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.04 -0.07 0.02 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.03 -0.04 -0.01 0.05 0.04 -0.00 -0.01 -0.05 0.03 0.00 -0.09 -0.01 -0.08 0.10 0.06 -0.01 -0.02 -0.04 0.03 -0.01 0.05 -0.04 0.03 -0.01 -0.43 0.46 0.15 -0.46 0.51 0.12 0.02 -0.00 -0.01 0.00 0.00 0.02 -0.00 0.01 0.01 -0.01 -0.04 0.00 0.01 0.01 -0.00 -0.05 -0.00 -0.02 0.00 0.00 0.04 0.00 -0.00 -0.03 -0.00 0.00 -0.01 0.00 -0.00 0.02 0.00 -0.00 -0.00 0.07 0.05 -0.07 0.00 0.00 0.00 -0.00 -0.00 0.00 0.02 0.04 0.04 -0.06 -0.06 0.02 -0.01 -0.02 0.01 -0.03 -0.02 -0.03 -0.06 -0.05 0.06 0.11 -0.03 -0.02 -0.04 0.04 0.00 0.01 -0.05 -0.03 0.06 0.04 -0.02 -0.08 0.10 -0.03 -0.02 -0.01 -0.07 0.09 0.07 0.08 0.03 0.02 -0.02 -0.01 -0.02 0.06 -0.02 0.06 -0.06 -0.01 0.05 -0.03 -0.01 0.01 -0.01 0.10 0.12 -0.05 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.03 0.15 0.02 -0.12 -0.03 0.02 0.02 0.25 -0.08 -0.04 0.39 0.06 0.28 -0.34 -0.23 -0.05 -0.00 0.24 0.02 0.24 -0.19 -0.01 0.04 0.10 0.03 0.10 -0.14 -0.18 0.25 0.19 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.01 0.01 -0.00 -0.02 0.01 -0.01 -0.00 0.01 0.01 0.00 -0.00 -0.02 -0.00 0.00 0.01 0.01 -0.00 0.00 -0.00 -0.01 -0.00 -0.02 0.00 -0.08 0.00 0.01 -0.00 -0.05 0.10 0.03 0.06 -0.10 -0.02 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.01 -0.12 0.01 0.02 0.03 0.05 -0.06 -0.03 -0.04 -0.04 -0.02 -0.01 0.00 0.01 -0.04 0.01 -0.04 0.03 0.00 -0.03 0.01 0.01 -0.04 0.02 0.01 0.01 -0.00 0.13 0.04 0.36 0.07 -0.25 -0.30 0.06 -0.00 0.38 -0.24 0.28 -0.22 0.09 -0.06 0.36 0.17 -0.02 0.35 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 0.02 0.00 0.02 -0.02 -0.02 -0.00 -0.00 0.01 -0.00 0.01 -0.01 0.00 0.00 0.01 0.00 0.00 -0.01 -0.00 0.01 0.01 -0.05 0.01 0.07 0.01 -0.01 -0.07 -0.00 -0.00 0.01 0.01 0.06 -0.05 -0.00 -0.00 -0.02 0.06 0.02 0.04 0.04 0.04 -0.07 -0.05 -0.03 0.07 0.00 -0.01 0.03 -0.02 -0.00 -0.04 0.01 -0.01 0.01 -0.03 0.04 -0.04 0.01 -0.02 -0.00 -0.01 0.02 -0.01 0.06 -0.04 0.04 -0.02 -0.01 -0.00 0.00 -0.00 0.03 -0.03 0.00 -0.05 0.00 -0.02 0.04 0.01 -0.00 -0.02 0.00 0.01 0.00 -0.00 -0.01 0.00 -0.17 -0.13 0.06 0.09 -0.26 0.05 0.15 0.11 0.37 -0.32 -0.26 -0.24 -0.08 -0.05 0.18 0.10 0.06 -0.04 0.11 -0.00 -0.05 0.07 -0.18 0.31 0.04 -0.01 0.03 0.03 0.19 -0.01 -0.02 -0.01 -0.06 -0.01 0.05 0.06 -0.01 0.01 -0.06 0.01 -0.02 0.01 -0.02 0.01 -0.04 -0.02 0.01 -0.04 0.09 0.14 -0.07 0.00 -0.16 -0.10 0.06 -0.05 -0.09 -0.09 0.18 0.03 0.03 -0.08 -0.11 -0.03 -0.01 0.01 -0.03 0.01 -0.05 0.01 0.02 0.05 0.02 0.01 -0.03 -0.01 0.02 0.05 0.01 -0.01 -0.03 -0.00 0.00 0.03 0.00 0.00 -0.00 -0.03 -0.02 -0.08 0.02 0.02 0.01 -0.03 -0.06 -0.02 0.04 0.10 0.03 -0.03 -0.10 -0.00 -0.02 0.00 -0.03 0.01 0.03 0.01 -0.01 0.01 -0.01 0.02 -0.02 0.02 -0.01 0.01 0.00 0.02 -0.01 0.01 -0.03 0.02 -0.02 0.01 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.02 -0.00 0.01 -0.02 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 0.02 -0.03 0.36 -0.02 0.10 -0.05 0.18 -0.07 -0.21 -0.14 0.18 0.12 0.36 0.11 -0.08 0.41 0.01 0.31 -0.32 0.04 0.04 0.31 0.02 0.02 -0.04 -0.01 -0.09 0.00 0.02 0.00 0.03 0.02 -0.03 -0.05 0.01 0.01 0.06 0.01 -0.02 0.02 -0.01 -0.00 0.00 0.02 -0.03 0.03 -0.05 -0.06 0.04 -0.00 0.08 0.05 -0.03 0.04 0.04 0.04 -0.07 -0.01 -0.00 0.02 0.05 0.01 0.01 -0.00 0.01 -0.00 0.02 -0.01 -0.01 -0.02 -0.01 -0.00 0.01 0.00 -0.01 -0.02 0.00 0.01 0.07 -0.00 -0.02 -0.04 0.00 -0.00 0.01 -0.02 -0.01 -0.01 0.06 0.01 0.01 0.05 -0.10 0.02 -0.03 -0.00 0.04 0.01 0.01 0.00 -0.05 -0.00 -0.04 0.03 0.04 -0.03 -0.01 0.03 -0.01 -0.12 0.00 -0.05 -0.01 0.02 -0.02 0.02 -0.02 0.03 0.06 -0.04 0.06 -0.00 0.00 -0.02 0.01 -0.01 0.03 -0.03 0.02 -0.07 0.03 0.01 0.02 -0.01 0.01 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.01 -0.22 -0.11 0.09 0.00 0.66 0.02 -0.08 -0.10 -0.20 0.18 0.10 0.11 0.11 0.07 -0.02 -0.03 -0.01 -0.02 -0.02 -0.05 0.07 -0.02 0.02 -0.09 0.01 0.09 -0.08 -0.10 0.13 -0.02 0.03 0.01 0.10 0.01 -0.09 -0.12 0.01 -0.02 0.07 0.05 -0.05 0.05 0.02 -0.02 0.01 0.01 -0.01 0.00 0.15 0.18 -0.11 0.01 -0.20 -0.13 0.05 -0.16 -0.07 -0.10 0.05 0.01 -0.10 0.07 -0.03 -0.03 -0.02 -0.04 -0.02 -0.04 -0.01 0.02 0.00 0.04 -0.00 0.01 -0.00 0.02 -0.01 0.02 -0.11 -0.01 -0.04 0.00 -0.01 -0.01 -0.01 0.00 -0.01 0.01 0.06 -0.03 0.04 -0.00 -0.04 0.04 -0.08 0.00 -0.00 0.00 -0.02 -0.00 0.04 0.09 -0.02 -0.02 0.02 -0.01 0.03 -0.01 0.01 0.01 0.01 0.14 0.03 0.06 0.02 0.01 -0.02 -0.02 -0.01 0.01 -0.03 0.01 -0.06 0.00 0.00 0.02 -0.01 0.01 -0.02 0.03 -0.01 0.06 -0.03 -0.02 -0.01 0.01 -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.33 -0.25 0.10 0.02 0.45 0.01 0.00 0.00 0.01 -0.03 -0.02 -0.03 0.00 0.00 0.00 -0.03 0.07 -0.29 0.05 -0.28 0.28 0.00 -0.16 -0.03 0.12 0.11 -0.03 0.12 -0.04 0.04 -0.03 0.04 0.12 -0.05 -0.05 -0.01 -0.02 -0.08 -0.09 0.04 0.02 -0.01 0.08 -0.04 0.05 -0.04 0.08 -0.09 -0.14 -0.17 0.09 0.05 0.15 0.08 -0.03 0.14 0.03 0.07 0.02 0.00 0.13 -0.12 -0.02 0.01 0.01 0.05 0.00 0.03 -0.01 -0.03 0.01 -0.04 0.01 -0.03 0.01 -0.03 0.02 -0.03 0.03 0.00 0.00 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.01 0.01 0.01 -0.02 0.01 -0.02 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.03 -0.02 0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.03 -0.01 -0.01 0.09 0.05 -0.02 -0.07 -0.05 0.02 0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.02 0.00 -0.01 -0.14 -0.02 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.02 0.07 -0.01 0.05 -0.05 -0.00 0.03 0.01 0.37 0.19 -0.09 -0.03 -0.01 -0.01 -0.13 0.16 0.37 -0.18 -0.10 0.07 -0.06 -0.28 -0.33 0.14 0.10 -0.05 0.29 -0.16 0.22 -0.11 0.26 -0.25 0.02 0.04 -0.01 -0.02 -0.02 -0.01 -0.00 -0.02 0.00 -0.01 -0.02 -0.00 -0.02 0.03 0.01 -0.00 -0.00 -0.01 0.00 -0.01 0.01 0.01 -0.01 0.00 -0.00 0.01 -0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 0.00 -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 -0.03 -0.00 -0.01 0.02 0.00 -0.02 0.04 0.01 0.02 0.03 -0.00 0.02 -0.01 -0.01 0.00 -0.03 -0.01 0.04 -0.05 -0.01 -0.00 0.02 0.01 0.02 0.01 -0.01 0.01 -0.02 0.01 -0.01 -0.02 -0.02 0.01 -0.01 -0.00 0.02 0.01 0.01 -0.00 -0.01 0.03 -0.01 0.02 -0.01 -0.00 0.02 -0.01 0.00 0.00 -0.01 -0.01 0.03 0.01 0.00 0.00 0.01 -0.00 -0.01 -0.01 0.00 -0.00 0.00 0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.04 -0.03 0.01 -0.02 -0.03 0.00 0.02 -0.08 -0.01 -0.01 -0.04 -0.01 -0.03 0.03 0.00 0.06 0.05 0.08 -0.10 -0.06 -0.08 -0.51 0.55 0.11 0.25 -0.34 -0.02 -0.30 0.31 0.04 0.09 -0.00 -0.00 0.01 0.01 0.05 0.01 0.00 0.01 -0.00 -0.01 -0.04 -0.00 0.08 -0.03 -0.10 -0.05 -0.08 0.08 -0.03 0.01 -0.06 0.03 0.05 0.01 -0.00 0.05 -0.01 0.00 0.04 0.02 -0.02 0.00 -0.04 -0.05 -0.06 0.01 -0.03 0.02 0.00 -0.01 -0.04 -0.01 0.03 0.07 0.02 -0.01 0.02 0.01 -0.01 0.00 -0.02 0.01 -0.05 -0.01 0.03 -0.04 -0.01 0.01 0.00 0.01 -0.02 -0.00 -0.00 0.01 0.00 -0.13 -0.06 0.04 -0.19 0.26 -0.10 0.10 0.26 0.21 -0.08 0.13 0.09 -0.23 -0.14 -0.21 0.07 0.13 -0.28 0.13 -0.12 0.03 0.06 -0.23 0.21 0.00 -0.02 0.06 -0.03 -0.16 -0.08 -0.03 -0.02 -0.11 -0.01 0.11 0.13 -0.01 0.04 -0.06 -0.12 0.11 -0.11 -0.02 0.02 0.06 0.04 -0.01 0.09 0.02 0.14 -0.00 -0.16 -0.05 0.03 -0.07 0.08 0.10 0.08 -0.14 -0.02 -0.02 0.07 0.11 0.02 0.01 -0.02 0.01 -0.02 0.03 -0.09 0.08 0.01 0.02 -0.04 0.01 -0.04 0.04 -0.01 -0.01 0.01 0.01 -0.00 0.00 -0.00 0.02 -0.04 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.04 -0.11 -0.04 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.11 -0.06 0.07 0.01 0.00 -0.06 0.05 0.13 0.01 0.08 0.17 -0.03 0.01 0.01 0.05 0.01 -0.11 -0.02 -0.10 0.01 0.01 0.07 0.03 0.04 -0.01 -0.00 0.00 -0.02 -0.02 -0.01 -0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.01 0.01 -0.00 -0.00 0.00 0.05 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 -0.21 0.02 0.09 -0.22 -0.09 0.08 0.07 -0.07 -0.11 -0.11 0.20 0.03 -0.03 -0.01 -0.10 -0.08 -0.06 0.22 -0.09 0.05 -0.15 0.03 -0.29 -0.41 -0.17 -0.16 0.37 -0.05 -0.05 -0.36 -0.04 0.01 0.05 0.00 -0.01 -0.04 -0.00 0.01 0.02 0.00 0.01 0.01 0.01 -0.03 0.00 0.03 0.02 0.04 -0.03 0.02 -0.01 0.02 -0.00 -0.01 0.00 -0.00 -0.02 -0.00 -0.00 -0.02 -0.00 0.01 -0.00 0.03 -0.02 -0.09 -0.01 0.01 -0.01 -0.00 0.01 0.02 0.01 0.02 0.08 0.08 -0.02 0.10 0.03 0.00 -0.01 -0.03 -0.00 -0.06 -0.09 0.01 -0.10 -0.01 0.00 0.01 -0.01 -0.03 -0.01 0.02 0.01 0.01 -0.04 -0.04 0.02 0.05 -0.13 0.04 -0.03 -0.10 -0.07 0.01 -0.07 -0.05 0.09 0.06 0.10 -0.03 -0.04 0.07 -0.04 0.01 0.03 -0.02 0.07 -0.09 -0.01 -0.01 -0.02 0.08 -0.20 -0.12 0.02 0.00 0.04 0.01 -0.05 -0.07 0.01 -0.00 0.04 0.05 -0.05 0.05 -0.00 0.00 -0.04 -0.02 -0.01 -0.04 0.04 0.17 -0.01 -0.24 -0.08 0.07 -0.21 0.42 0.28 0.33 -0.29 -0.04 0.20 -0.07 0.23 0.03 0.02 -0.01 0.05 0.01 0.06 -0.09 0.01 -0.10 -0.03 -0.06 0.09 -0.04 0.01 -0.11 0.01 -0.02 -0.00 0.00 0.00 0.01 0.03 -0.04 -0.01 -0.01 -0.01 0.01 -0.01 0.00 0.04 0.02 -0.00 -0.02 0.03 -0.03 -0.00 -0.03 0.01 -0.01 -0.00 -0.01 -0.03 -0.01 0.00 0.00 -0.01 0.00 -0.01 -0.04 0.11 0.02 -0.00 0.01 -0.00 0.00 0.00 0.02 0.03 -0.12 -0.05 -0.03 0.08 0.13 -0.12 0.10 0.03 0.03 0.03 -0.00 0.04 -0.06 -0.11 0.07 -0.08 -0.03 -0.05 0.09 0.02 -0.00 -0.03 -0.01 0.15 0.09 -0.02 0.02 0.10 -0.02 0.03 0.10 0.06 -0.03 0.07 0.05 -0.11 -0.07 -0.12 0.05 0.06 -0.07 0.05 0.03 -0.08 0.02 -0.06 0.11 0.03 -0.03 -0.02 -0.12 0.19 0.03 0.01 0.01 0.04 0.00 -0.03 -0.03 0.00 -0.01 0.03 0.06 -0.06 0.06 0.00 -0.00 -0.03 -0.01 -0.01 -0.04 0.00 -0.11 -0.04 0.05 -0.13 -0.06 -0.06 -0.02 0.15 0.23 -0.43 -0.09 0.07 -0.01 0.16 0.02 0.04 0.31 -0.19 0.05 -0.28 0.23 -0.19 0.03 0.02 0.06 -0.07 0.03 -0.01 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 -0.00 -0.01 0.04 -0.01 -0.03 0.10 0.05 0.00 -0.03 0.04 -0.05 -0.02 -0.07 0.02 -0.02 -0.00 -0.03 -0.09 0.00 -0.01 -0.01 -0.03 0.01 -0.04 0.02 -0.01 0.01 -0.03 0.05 -0.01 0.00 0.03 0.08 -0.00 0.02 0.00 0.02 -0.02 -0.02 0.04 -0.02 -0.01 -0.01 -0.01 0.01 -0.03 0.01 0.02 -0.02 0.02 0.01 0.00 -0.03 -0.01 0.01 0.01 0.01 0.36 0.17 -0.02 0.02 0.16 -0.04 0.05 0.18 0.13 -0.08 0.10 0.06 -0.20 -0.13 -0.20 0.10 0.14 -0.19 0.11 0.05 -0.15 0.05 -0.15 0.22 0.07 -0.11 -0.07 0.02 -0.01 0.00 0.05 0.03 0.17 0.02 -0.13 -0.17 0.02 -0.02 0.15 0.22 -0.24 0.23 0.00 -0.01 -0.16 -0.07 -0.03 -0.16 -0.01 0.01 0.01 0.03 0.03 -0.00 -0.00 0.08 -0.02 -0.02 0.12 0.03 0.03 -0.04 -0.04 0.01 0.00 -0.08 0.07 0.00 0.09 -0.09 0.04 -0.05 -0.02 -0.04 0.06 -0.02 0.00 -0.07 0.03 -0.01 -0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 -0.01 -0.00 -0.00 -0.02 0.03 -0.00 0.02 -0.01 -0.00 0.00 -0.01 0.01 -0.00 -0.02 -0.01 -0.01 0.02 0.02 -0.01 0.00 0.00 0.00 -0.00 0.01 -0.09 0.08 0.04 0.02 -0.02 0.01 0.00 -0.02 -0.03 0.03 -0.05 -0.06 0.04 -0.01 0.02 0.05 -0.01 -0.01 -0.01 -0.02 0.03 -0.06 -0.03 0.01 0.00 0.03 -0.00 -0.05 -0.07 -0.01 0.05 0.04 0.02 -0.01 0.05 -0.01 0.07 0.05 0.00 -0.01 0.03 -0.02 0.03 0.06 0.05 -0.03 -0.02 -0.06 0.01 -0.01 0.06 -0.01 0.05 -0.05 0.00 0.02 0.03 -0.02 0.06 0.01 -0.18 0.32 0.08 -0.03 -0.01 -0.08 -0.01 0.07 0.10 -0.01 0.01 -0.08 -0.09 0.10 -0.10 0.01 -0.01 0.09 0.04 0.01 0.08 0.08 -0.10 -0.07 0.30 -0.02 -0.16 -0.05 0.25 0.03 0.08 0.12 0.03 0.18 -0.19 -0.04 0.10 0.09 -0.02 0.18 0.12 0.10 -0.19 -0.04 -0.29 -0.10 -0.16 0.27 -0.09 0.01 -0.31 -0.11 0.01 0.02 -0.01 -0.01 -0.04 -0.00 0.00 0.00 0.00 0.01 0.01 -0.07 0.04 0.04 0.13 -0.02 -0.00 -0.01 -0.06 0.04 -0.05 -0.04 -0.03 -0.04 0.06 0.01 0.05 -0.00 -0.03 -0.01 0.01 0.01 0.06 -0.02 -0.00 0.05 -0.05 0.02 0.02 -0.06 -0.06 -0.00 0.01 0.02 0.01 -0.00 0.00 0.00 0.00 -0.01 0.00 0.01 -0.01 -0.00 0.01 -0.00 -0.01 -0.01 0.01 0.03 0.02 0.00 -0.02 -0.01 -0.01 0.12 0.23 -0.05 0.24 0.15 0.01 -0.06 0.03 -0.12 0.12 0.18 0.16 -0.06 -0.04 -0.19 0.10 0.03 0.10 0.04 0.18 -0.25 0.03 -0.02 0.22 -0.06 0.15 -0.01 0.08 -0.10 -0.02 -0.09 -0.01 -0.16 -0.04 0.16 0.24 -0.03 0.01 -0.20 -0.19 0.21 -0.20 0.03 -0.03 0.21 0.09 0.02 0.19 -0.03 0.03 0.03 -0.08 0.01 0.05 -0.01 0.00 0.01 0.01 -0.02 -0.00 -0.01 0.02 0.02 -0.06 -0.06 -0.02 -0.05 -0.05 -0.01 0.05 0.03 0.09 0.03 0.05 -0.09 0.03 -0.00 0.10 -0.01 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.03 0.02 0.01 0.00 -0.03 -0.00 -0.01 0.02 -0.01 -0.01 -0.00 -0.02 -0.02 -0.00 0.00 0.00 0.00 0.13 0.09 -0.06 0.00 0.00 0.00 -0.09 -0.05 0.03 -0.09 -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 -0.16 -0.09 0.09 0.01 -0.14 -0.03 -0.02 -0.00 -0.06 0.05 0.05 0.05 0.00 0.00 -0.05 0.02 -0.00 0.04 0.01 0.03 -0.04 0.01 -0.00 0.04 0.04 -0.05 0.00 -0.01 0.00 0.00 0.16 -0.17 -0.33 0.21 0.14 -0.06 0.05 0.30 0.31 0.23 0.10 -0.03 0.33 -0.19 0.19 -0.13 0.31 -0.28 -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 0.02 0.00 0.01 -0.00 -0.00 -0.02 0.00 -0.00 0.00 -0.01 -0.00 0.03 -0.03 -0.09 -0.05 -0.03 -0.01 0.09 0.02 0.02 -0.05 0.02 0.03 0.00 -0.00 0.01 0.03 -0.02 -0.00 -0.00 0.05 0.02 0.04 -0.01 -0.01 -0.01 -0.02 -0.02 -0.01 -0.04 -0.02 -0.02 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.54 0.33 -0.28 -0.01 0.43 0.11 0.07 0.03 0.17 -0.15 -0.12 -0.13 -0.03 -0.02 0.12 -0.05 0.00 -0.10 -0.02 -0.07 0.10 -0.02 0.03 -0.13 -0.04 0.19 -0.03 0.03 -0.02 -0.01 0.03 -0.05 -0.12 0.05 0.02 -0.03 0.01 0.05 0.02 -0.01 0.13 -0.10 0.10 -0.05 0.11 -0.03 0.13 -0.05 0.02 0.01 -0.01 -0.03 -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 0.01 -0.00 0.00 -0.01 0.03 -0.01 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.01 -0.00 0.00 0.01 -0.00 -0.01 -0.01 0.00 0.00 0.01 0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.01 0.00 -0.00 0.00 -0.05 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.06 -0.07 -0.01 0.10 -0.04 0.00 0.07 0.02 -0.10 0.06 0.13 0.02 -0.09 0.01 0.01 -0.08 -0.06 0.05 0.09 0.04 0.01 -0.05 -0.04 -0.01 -0.00 -0.01 -0.00 -0.02 0.00 -0.00 0.01 0.02 0.03 -0.02 -0.01 -0.01 -0.01 -0.01 0.01 -0.02 -0.01 0.01 -0.01 -0.01 0.03 -0.01 0.02 -0.03 0.00 -0.01 0.00 -0.13 0.35 0.06 0.01 0.00 0.01 0.00 -0.01 -0.01 0.00 -0.00 0.01 0.01 -0.01 0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.08 -0.07 0.00 0.17 -0.04 -0.09 -0.08 0.31 0.05 0.09 0.16 0.04 0.15 -0.13 0.01 -0.32 -0.31 -0.15 -0.17 -0.20 0.03 0.10 0.12 0.23 0.08 0.14 -0.22 0.08 -0.01 0.29 -0.03 0.00 0.01 -0.01 0.00 0.01 -0.00 0.00 0.00 0.17 -0.07 -0.04 -0.04 -0.01 -0.02 -0.06 0.02 0.00 -0.09 0.05 0.02 -0.10 0.05 0.02 0.02 -0.00 0.02 0.11 -0.02 -0.00 0.01 -0.00 0.01 -0.02 0.01 0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.01 -0.01 0.01 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.15 0.11 -0.09 -0.18 -0.06 -0.02 -0.11 -0.31 -0.25 0.19 -0.14 -0.07 0.29 0.19 0.18 0.14 0.22 -0.34 0.22 -0.09 -0.08 0.07 -0.31 0.28 0.01 0.01 0.01 -0.10 0.05 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.01 0.00 0.01 -0.01 0.01 -0.00 -0.00 -0.01 0.02 -0.02 0.05 -0.01 -0.03 0.03 -0.01 -0.02 -0.01 0.02 0.01 0.01 -0.00 0.00 0.01 -0.01 0.00 -0.01 -0.01 -0.01 0.01 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.10 0.01 0.03 -0.02 0.01 0.06 -0.00 0.00 0.00 -0.05 0.00 0.07 0.07 -0.07 0.05 -0.04 0.01 -0.06 0.04 0.01 -0.05 0.04 0.02 -0.02 -0.05 0.05 -0.07 0.23 -0.03 -0.03 -0.02 0.03 -0.01 -0.00 0.01 0.02 0.02 -0.02 0.02 0.02 -0.03 -0.01 0.01 -0.01 -0.01 0.00 0.01 0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.01 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 -0.19 0.11 -0.71 -0.08 -0.16 0.08 0.07 0.15 -0.19 -0.09 -0.11 -0.10 -0.06 0.06 -0.07 -0.04 0.01 -0.07 -0.01 0.07 -0.03 0.09 -0.16 -0.12 0.12 -0.10 -0.17 0.03 -0.00 -0.06 0.00 -0.09 -0.01 0.07 0.10 -0.02 0.03 -0.10 -0.04 0.05 -0.05 0.03 -0.02 0.09 0.04 0.00 0.07 0.09 -0.01 -0.05 0.02 -0.00 -0.01 -0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.02 0.01 0.01 -0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.08 0.01 0.02 -0.02 0.00 0.01 -0.00 0.00 0.00 -0.03 0.07 -0.01 -0.11 0.08 -0.13 -0.01 -0.02 -0.01 0.02 -0.04 0.02 0.03 -0.06 -0.01 0.10 -0.10 0.13 0.18 -0.02 -0.03 0.07 -0.08 0.08 -0.00 0.01 0.02 -0.04 0.04 -0.06 -0.04 0.07 -0.01 0.00 -0.01 -0.00 0.00 0.01 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.02 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.20 0.38 -0.25 -0.20 0.09 -0.04 -0.01 0.11 -0.03 0.00 0.11 0.09 -0.09 -0.06 -0.16 -0.01 -0.11 0.24 -0.08 0.11 -0.06 -0.02 0.12 -0.01 0.10 -0.08 0.13 -0.12 0.00 0.01 0.13 -0.01 0.19 0.03 -0.18 -0.26 0.04 -0.08 0.21 0.03 -0.03 0.04 -0.06 0.05 -0.17 -0.09 0.03 -0.17 0.16 -0.02 -0.09 -0.05 0.00 0.03 -0.00 0.01 -0.00 0.01 -0.00 -0.00 0.01 -0.01 -0.01 -0.01 -0.01 -0.01 0.01 0.00 0.01 -0.01 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.03 0.00 0.00 0.01 0.01 -0.00 0.01 -0.00 -0.00 -0.01 0.01 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.01 -0.02 0.00 0.00 -0.01 0.01 -0.01 -0.00 0.01 0.11 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.02 -0.02 -0.01 0.02 0.06 -0.04 0.03 0.04 0.01 -0.03 -0.01 -0.07 -0.02 -0.04 0.01 -0.01 -0.02 0.01 0.00 0.01 0.00 -0.00 -0.00 0.00 0.03 -0.04 0.02 0.06 -0.01 0.01 0.00 -0.00 0.00 0.01 0.00 0.01 0.01 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 0.01 0.00 -0.01 -0.00 0.01 -0.02 0.00 0.03 -0.16 0.09 -0.01 0.00 -0.01 -0.00 0.02 0.03 -0.00 0.01 -0.02 0.01 -0.01 0.01 0.01 -0.00 0.01 0.01 -0.01 0.01 0.71 -0.11 -0.36 -0.39 0.04 0.24 0.02 0.07 -0.05 0.04 0.08 0.02 0.09 -0.13 -0.07 -0.05 -0.05 -0.00 -0.07 -0.06 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 0.01 -0.00 0.02 0.01 0.00 0.02 0.00 0.00 -0.00 0.02 0.01 -0.01 0.01 0.00 0.02 0.01 -0.00 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 -0.00 0.00 0.01 -0.01 0.04 -0.05 -0.05 -0.02 -0.01 0.00 -0.01 -0.00 0.00 -0.01 0.00 0.05 0.04 0.06 0.18 -0.06 0.02 0.10 -0.01 -0.03 -0.14 0.04 -0.02 -0.09 0.02 -0.03 -0.03 0.02 -0.00 0.03 0.01 -0.01 -0.01 0.01 -0.06 0.02 0.01 -0.05 -0.00 -0.02 -0.00 -0.01 -0.00 -0.01 -0.01 -0.02 -0.01 -0.01 0.00 0.01 0.01 -0.00 0.01 0.02 -0.03 0.00 0.00 0.01 -0.05 0.07 -0.03 -0.12 -0.51 -0.11 0.02 -0.01 0.01 0.01 -0.03 -0.05 0.00 -0.02 0.01 -0.03 0.03 -0.03 -0.01 0.01 -0.01 -0.00 0.01 -0.01 -0.20 0.06 0.14 0.36 -0.03 -0.24 0.06 0.10 -0.14 0.10 0.12 0.03 0.18 -0.26 -0.14 0.08 0.06 0.07 -0.28 -0.22 -0.09 0.02 -0.02 -0.03 0.02 -0.00 -0.02 0.01 -0.00 0.05 0.03 -0.00 -0.02 0.01 0.00 0.02 -0.00 -0.00 0.00 0.06 0.02 0.11 0.05 -0.00 0.08 0.03 -0.01 -0.05 -0.02 -0.02 -0.04 -0.04 -0.00 -0.04 -0.01 -0.02 -0.07 -0.09 0.00 0.02 0.08 -0.03 0.22 0.01 0.01 0.01 -0.03 0.01 -0.09 -0.03 0.01 -0.07 -0.00 -0.01 -0.01 -0.01 -0.03 0.01 -0.00 -0.01 0.00 0.00 0.02 -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 -0.35 0.06 0.11 -0.14 -0.04 -0.07 -0.01 -0.06 -0.02 -0.05 -0.07 -0.07 -0.03 -0.03 0.02 0.09 0.07 -0.02 0.04 0.10 -0.16 0.01 0.01 0.10 -0.33 0.42 -0.20 0.08 0.08 0.03 0.11 -0.04 0.05 0.03 -0.19 -0.29 0.02 -0.11 0.07 -0.16 0.18 -0.17 -0.08 0.04 -0.03 -0.02 0.08 -0.04 0.07 -0.02 -0.04 -0.10 0.01 0.07 -0.01 -0.01 0.02 -0.02 -0.01 -0.00 -0.02 0.04 0.02 -0.01 -0.01 -0.01 0.04 0.03 0.01 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.02 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.03 0.03 0.00 0.05 -0.10 -0.02 0.02 0.00 -0.00 -0.01 -0.05 -0.00 -0.01 0.05 0.00 -0.01 -0.01 -0.01 -0.03 0.05 0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.05 0.28 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 0.17 0.00 -0.09 0.10 0.06 -0.03 -0.04 0.05 0.05 -0.03 0.04 0.00 -0.09 0.12 0.07 0.47 0.39 0.22 -0.43 -0.39 -0.17 0.05 -0.05 -0.03 0.03 -0.03 -0.01 -0.01 0.01 0.03 0.02 0.00 -0.01 0.01 0.01 0.00 0.00 -0.00 -0.00 0.08 -0.01 0.25 0.01 -0.02 -0.10 0.05 -0.02 -0.03 -0.03 0.01 -0.07 -0.03 -0.00 -0.08 0.03 0.01 0.10 -0.06 -0.02 0.01 -0.06 0.03 -0.13 -0.00 -0.00 0.00 0.02 -0.02 0.03 0.01 -0.00 0.04 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.53 0.26 -0.14 -0.20 0.25 -0.07 0.00 -0.14 -0.01 -0.13 -0.18 -0.18 -0.08 -0.04 0.05 0.09 0.07 -0.05 0.01 0.19 -0.24 -0.02 0.12 0.00 0.10 -0.12 0.14 0.07 -0.00 0.01 -0.05 0.01 0.03 -0.03 0.13 0.18 0.02 0.06 0.01 0.10 -0.12 0.10 0.06 -0.03 0.04 0.02 -0.06 0.05 0.01 -0.00 -0.00 -0.01 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.02 -0.00 0.00 -0.00 0.04 -0.01 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.04 -0.05 -0.04 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.17 0.02 0.09 -0.02 0.04 0.04 -0.05 -0.01 0.02 -0.00 -0.01 0.00 0.01 -0.01 -0.02 0.01 0.00 -0.01 0.00 -0.02 -0.00 0.01 0.01 -0.01 0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.36 0.19 0.03 -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 0.42 0.07 -0.25 0.61 0.05 -0.26 0.00 -0.06 0.01 0.03 -0.07 -0.01 0.03 -0.02 0.01 -0.09 -0.07 -0.04 0.16 0.16 0.05 0.01 0.01 0.09 -0.01 0.01 0.01 -0.01 0.00 -0.04 -0.01 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.04 0.00 0.00 0.01 0.01 0.00 0.00 -0.01 0.01 0.01 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.05 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.02 0.03 -0.02 0.01 0.01 0.00 -0.01 0.04 -0.01 -0.01 -0.04 0.00 0.00 -0.00 -0.01 0.04 0.02 0.03 -0.08 -0.07 0.01 0.06 0.07 -0.05 -0.07 0.08 -0.01 0.11 -0.01 0.00 0.02 -0.01 0.04 -0.00 -0.01 -0.01 -0.00 -0.00 0.05 -0.03 -0.00 -0.04 0.00 -0.01 0.02 -0.00 -0.02 -0.04 -0.01 0.02 -0.00 -0.10 0.22 0.04 0.01 -0.00 0.02 -0.00 0.01 0.01 0.01 -0.00 0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.02 0.02 -0.09 0.03 0.03 -0.00 0.01 0.00 0.02 0.01 -0.00 -0.00 0.01 0.03 -0.20 -0.17 -0.06 -0.16 -0.13 -0.06 0.17 -0.04 0.73 0.01 -0.00 0.03 -0.08 0.04 -0.41 0.02 -0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 0.09 0.20 -0.01 -0.00 -0.06 -0.06 -0.00 -0.01 0.06 -0.03 -0.05 0.02 -0.02 -0.06 -0.01 -0.01 0.00 -0.01 -0.05 -0.00 0.01 -0.00 0.00 -0.00 -0.02 0.01 0.01 0.00 0.01 0.02 -0.00 0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.01 0.00 -0.00 -0.00 0.00 0.01 0.01 0.01 -0.03 -0.02 0.00 0.02 0.02 -0.02 0.33 -0.42 0.04 -0.49 0.06 0.00 -0.10 0.06 -0.21 0.01 0.03 0.05 0.01 0.00 -0.22 0.15 0.01 0.20 -0.02 0.05 -0.08 0.02 0.11 0.21 0.06 -0.08 0.01 0.15 -0.06 0.01 -0.03 0.01 -0.08 0.02 -0.05 -0.03 -0.03 0.00 -0.08 0.01 -0.01 0.01 0.01 -0.00 0.01 0.00 -0.01 0.01 -0.03 -0.01 0.02 -0.02 -0.02 0.00 -0.00 0.01 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.02 -0.02 -0.00 -0.07 -0.06 -0.02 0.07 -0.02 0.26 0.00 0.00 0.01 -0.03 0.02 -0.14 0.00 0.01 0.01 0.00 -0.00 -0.00 0.02 0.01 -0.01 0.02 0.03 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.01 -0.01 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.02 -0.12 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.03 0.08 -0.03 0.01 -0.01 0.02 -0.03 0.13 0.01 -0.04 -0.13 0.01 0.02 -0.00 -0.02 0.04 0.01 0.02 0.03 0.01 -0.02 -0.03 -0.03 0.04 0.06 -0.08 0.01 -0.05 0.02 0.01 -0.02 0.01 -0.03 -0.00 0.00 0.00 -0.00 -0.00 -0.04 0.03 0.00 0.03 -0.00 0.01 -0.02 0.00 0.02 0.03 0.01 -0.02 0.00 -0.17 0.59 0.10 -0.00 0.00 -0.02 0.00 -0.01 -0.01 -0.01 -0.00 -0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.02 -0.04 0.03 -0.14 0.07 0.04 -0.02 -0.00 0.06 -0.01 0.02 -0.02 -0.04 0.07 0.08 -0.33 -0.28 -0.13 0.00 0.06 -0.04 -0.15 0.02 -0.44 -0.03 -0.02 0.04 0.04 -0.03 0.20 0.00 0.01 0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.01 0.01 0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -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 0.02 -0.14 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 0.03 -0.03 0.02 0.15 0.01 -0.02 -0.09 0.03 0.01 0.03 -0.01 -0.02 -0.02 0.01 -0.09 -0.05 -0.05 0.03 0.02 0.02 -0.00 0.00 -0.02 0.03 -0.05 0.01 0.02 0.02 0.01 -0.01 -0.00 -0.01 -0.00 -0.01 -0.00 -0.01 -0.00 -0.02 0.02 0.00 0.01 -0.00 0.01 -0.01 -0.00 0.02 0.01 0.01 -0.02 0.00 -0.25 0.46 0.07 -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 0.00 0.00 0.00 0.00 -0.05 -0.03 0.04 -0.21 0.05 0.10 0.05 -0.06 -0.14 0.16 -0.06 0.02 0.16 -0.15 -0.07 0.36 0.33 0.17 0.30 0.20 0.16 0.09 0.02 0.16 0.02 0.04 -0.07 -0.00 0.01 -0.01 0.00 0.00 -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.02 -0.10 0.03 -0.04 0.04 0.04 0.00 0.01 -0.01 -0.02 0.01 0.00 0.00 0.02 0.02 -0.01 0.04 -0.02 0.01 0.01 -0.01 -0.01 -0.07 -0.05 -0.02 0.01 0.01 -0.01 -0.01 -0.00 0.01 0.01 0.03 0.01 -0.01 0.01 0.02 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.16 0.41 -0.11 -0.36 -0.13 -0.04 -0.01 0.11 0.03 0.07 0.12 0.09 0.12 0.03 0.05 -0.04 -0.03 0.05 -0.01 -0.07 0.08 0.03 -0.07 0.06 -0.26 0.40 -0.10 0.39 0.10 0.07 -0.03 0.02 0.15 -0.05 0.13 0.13 0.06 0.07 0.13 0.05 -0.06 0.05 0.07 -0.02 -0.01 -0.01 -0.07 0.01 -0.07 -0.04 0.07 -0.09 -0.04 -0.00 0.00 -0.00 -0.02 0.03 0.00 0.00 0.02 -0.02 0.01 0.01 0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.02 0.01 -0.04 -0.01 0.00 0.01 -0.00 -0.00 0.00 -0.01 -0.05 0.03 -0.02 0.04 -0.02 0.01 -0.00 -0.01 0.01 0.02 0.00 0.01 0.01 -0.00 -0.01 0.01 -0.02 0.05 -0.00 0.00 0.01 0.01 0.05 -0.10 -0.03 0.03 -0.00 0.01 0.01 0.00 -0.01 -0.01 0.05 0.01 -0.01 0.02 0.04 0.02 0.00 -0.03 -0.01 -0.00 0.01 0.01 -0.01 -0.01 -0.00 0.01 0.02 0.01 -0.01 0.00 -0.01 -0.00 -0.00 0.01 0.06 -0.12 0.04 0.04 0.04 -0.01 0.02 -0.07 0.00 -0.03 -0.06 -0.04 -0.06 -0.01 -0.00 -0.03 -0.00 -0.04 0.00 0.02 -0.01 -0.01 -0.00 -0.06 0.18 -0.26 0.07 0.79 0.14 0.14 0.03 -0.01 -0.09 0.03 -0.07 -0.08 -0.03 -0.05 -0.07 -0.04 0.04 -0.03 -0.05 0.02 0.00 0.01 0.06 -0.01 -0.13 -0.09 0.13 -0.15 -0.09 -0.03 0.01 -0.02 -0.05 0.07 -0.01 0.01 0.06 -0.05 -0.00 0.01 -0.01 -0.06 -0.10 -0.04 -0.06 -0.02 -0.00 -0.05 -0.01 -0.02 0.03 0.01 -0.00 0.04 -0.01 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.01 -0.00 0.01 0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 0.01 -0.04 0.03 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 0.01 -0.00 0.02 -0.07 -0.02 0.02 0.15 0.02 -0.02 -0.07 0.00 0.04 -0.04 -0.02 -0.11 -0.10 -0.06 0.03 0.01 0.04 -0.00 0.01 -0.03 0.00 0.00 -0.00 -0.04 -0.00 -0.01 0.00 -0.01 0.00 -0.00 -0.01 -0.01 -0.01 0.00 0.00 -0.02 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.04 -0.06 0.02 0.22 -0.06 0.02 0.01 -0.00 -0.02 0.01 -0.02 -0.02 -0.01 -0.01 -0.02 -0.01 0.01 -0.01 -0.02 0.01 0.00 0.00 0.02 -0.00 -0.00 -0.06 0.04 -0.01 -0.05 -0.06 -0.07 0.20 0.23 -0.22 0.26 -0.04 -0.20 0.17 0.15 -0.01 0.12 0.32 0.48 0.15 0.30 0.07 0.03 0.18 0.06 0.09 -0.14 -0.03 -0.00 -0.12 -0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.02 0.04 0.04 -0.01 0.01 0.00 -0.10 -0.00 -0.02 0.01 0.00 -0.00 -0.01 -0.03 0.02 0.01 -0.01 0.01 0.06 -0.00 -0.01 0.02 -0.05 -0.04 -0.02 -0.00 0.00 0.00 -0.02 -0.03 -0.02 0.03 -0.01 0.01 0.00 0.00 0.00 0.01 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 0.01 -0.02 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.13 -0.29 0.10 0.45 0.04 0.06 -0.01 -0.08 -0.08 -0.08 -0.04 -0.03 -0.12 -0.06 -0.03 0.13 0.07 -0.12 0.02 0.11 -0.10 -0.08 0.17 -0.08 -0.25 0.36 -0.10 0.14 0.01 0.02 -0.11 0.05 0.23 -0.05 0.13 0.12 0.08 0.17 0.17 0.07 -0.08 0.05 0.19 -0.06 -0.00 -0.02 -0.19 0.06 -0.01 -0.04 0.03 -0.02 -0.04 -0.03 -0.02 0.05 0.07 -0.06 0.06 -0.01 -0.03 0.02 0.02 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 -0.01 -0.02 -0.01 -0.00 0.00 0.00 0.02 0.00 0.00 0.01 0.01 0.01 0.00 0.02 -0.01 -0.01 0.00 -0.02 -0.01 0.00 0.00 0.01 0.01 0.07 0.00 0.00 -0.00 -0.00 -0.01 -0.03 -0.07 0.07 -0.10 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.01 0.00 -0.00 -0.01 0.00 -0.01 0.02 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.04 -0.01 -0.11 -0.01 -0.02 -0.00 -0.03 -0.03 -0.01 -0.05 -0.02 -0.03 0.00 -0.04 -0.05 -0.03 0.05 -0.01 -0.05 0.04 0.03 -0.07 0.03 0.13 -0.19 0.04 -0.02 -0.01 -0.00 -0.03 0.01 0.06 -0.01 0.02 0.00 0.03 0.04 0.05 0.26 -0.34 0.14 0.44 -0.09 0.35 0.06 -0.32 0.46 0.00 0.00 -0.00 0.01 0.00 0.00 0.02 -0.05 -0.07 0.07 -0.06 0.01 0.02 -0.01 -0.02 -0.01 -0.00 0.01 0.02 0.01 0.01 0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.01 -0.01 -0.01 0.00 0.01 -0.02 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 0.01 0.01 -0.03 -0.00 -0.00 0.00 0.00 -0.01 0.01 -0.02 -0.01 -0.01 -0.00 -0.01 0.10 0.01 -0.01 -0.09 -0.00 0.01 0.04 -0.00 0.07 -0.11 -0.05 0.02 0.03 0.02 -0.01 0.00 -0.02 0.00 0.00 0.00 -0.02 0.03 -0.01 -0.04 0.00 -0.01 0.00 0.04 0.05 0.03 0.03 0.01 0.05 0.02 0.02 -0.03 -0.02 0.07 -0.01 -0.05 0.04 0.03 -0.05 0.05 0.04 -0.06 0.01 -0.06 0.04 0.00 0.02 -0.01 -0.04 0.00 -0.02 -0.02 -0.01 -0.03 -0.02 0.04 -0.05 0.02 0.06 -0.01 0.06 0.01 -0.04 0.07 -0.02 0.05 -0.02 -0.00 0.04 0.05 -0.17 0.31 0.52 -0.49 0.39 -0.09 -0.14 0.08 0.13 0.07 0.01 -0.10 -0.14 -0.03 -0.08 -0.00 -0.01 -0.02 -0.04 -0.05 0.07 0.03 0.00 0.07 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.02 0.01 0.07 -0.01 0.01 -0.01 -0.04 -0.00 -0.02 -0.05 -0.05 -0.07 -0.01 0.04 -0.09 0.01 -0.00 0.01 0.03 -0.00 -0.00 0.01 -0.03 -0.03 -0.01 0.00 0.00 -0.01 0.03 0.05 -0.01 0.02 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.01 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.14 0.05 0.23 0.05 0.02 0.04 0.18 0.31 0.18 0.23 0.09 0.25 0.05 0.22 -0.06 -0.06 0.34 -0.07 -0.26 0.18 0.15 -0.15 0.28 -0.10 0.14 -0.03 0.06 -0.00 0.01 0.12 -0.04 -0.17 0.04 -0.09 -0.08 -0.07 -0.16 -0.12 0.04 -0.04 0.03 0.11 -0.04 -0.01 -0.01 -0.11 0.03 0.00 -0.04 0.02 -0.01 -0.03 -0.03 0.02 -0.03 -0.06 0.06 -0.04 0.01 0.01 -0.01 -0.01 -0.01 0.00 0.02 0.02 -0.00 0.01 -0.00 0.00 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 0.00 -0.00 0.00 -0.00 0.03 -0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.00 0.04 -0.06 -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 0.02 0.04 0.00 0.00 0.00 0.01 -0.06 -0.09 0.02 -0.02 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.05 -0.09 0.02 0.01 0.04 0.00 0.01 -0.00 0.03 0.02 -0.01 -0.01 0.01 0.01 -0.00 -0.09 -0.06 0.27 -0.06 -0.20 0.16 0.13 -0.16 0.22 0.11 -0.17 0.04 -0.00 -0.00 -0.00 -0.29 0.11 0.40 -0.08 0.20 0.17 0.16 0.40 0.27 -0.07 0.09 -0.05 -0.16 0.05 -0.03 0.00 0.15 -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 0.01 -0.00 0.00 -0.00 0.00 0.01 0.01 0.01 -0.00 -0.01 -0.01 0.00 -0.00 -0.06 -0.06 -0.06 -0.00 -0.04 0.06 -0.01 0.00 -0.02 0.00 -0.00 -0.01 -0.00 0.02 0.04 -0.00 0.00 0.00 0.00 -0.02 -0.03 -0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.03 0.01 -0.02 -0.01 -0.00 0.02 0.33 0.36 0.23 0.24 0.12 0.41 0.12 0.18 0.12 0.08 -0.28 0.06 0.22 -0.17 -0.14 0.21 -0.21 0.12 -0.18 0.04 0.01 -0.00 0.00 -0.10 0.04 0.11 -0.02 0.04 0.03 0.05 0.13 0.06 0.01 -0.02 -0.00 -0.03 0.02 0.06 0.02 0.04 0.05 0.00 -0.01 0.00 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -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 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.01 -0.00 -0.03 -0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.02 -0.08 -0.03 0.01 0.00 -0.00 0.00 0.02 0.00 -0.01 -0.02 0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.02 -0.04 0.01 0.01 0.01 -0.00 0.00 -0.00 0.02 0.01 0.01 0.00 0.00 -0.00 0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.02 -0.00 0.11 0.03 0.03 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.00 -0.02 -0.01 -0.19 0.62 -0.24 0.20 0.43 0.50 0.02 -0.00 -0.05 0.06 0.03 0.01 -0.01 0.01 0.04 -0.03 -0.00 0.03 0.02 -0.02 0.02 -0.01 -0.00 -0.02 0.02 0.02 -0.03 -0.01 -0.00 -0.03 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -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 0.01 -0.02 -0.01 -0.00 0.03 0.00 -0.00 -0.01 -0.00 -0.01 0.00 0.00 -0.02 -0.03 0.03 -0.02 0.01 -0.11 0.01 0.02 -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 -0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.03 -0.01 0.01 0.02 0.02 0.02 0.01 -0.05 0.05 0.01 0.01 -0.03 0.02 0.02 0.09 0.03 -0.00 0.08 0.13 0.03 0.12 0.03 0.28 -0.28 -0.39 0.49 0.24 0.06 0.55 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.08 0.02 -0.07 0.11 -0.04 0.12 0.00 0.02 -0.01 0.02 -0.02 0.01 0.01 0.01 -0.00 0.00 0.02 -0.06 -0.01 0.00 0.03 -0.06 -0.02 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.03 0.03 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.01 -0.01 -0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.28 -0.35 0.10 -0.39 0.03 -0.05 0.07 -0.20 0.17 0.18 0.09 0.03 -0.09 -0.04 0.14 -0.12 -0.05 -0.06 0.03 0.10 -0.07 -0.01 -0.09 -0.12 -0.09 0.15 -0.02 -0.06 -0.00 -0.01 -0.04 0.02 0.08 0.02 0.02 0.00 0.01 0.07 0.04 -0.15 0.11 -0.04 0.22 -0.09 -0.17 -0.08 -0.29 -0.15 0.01 -0.02 0.00 -0.01 -0.01 -0.01 -0.03 0.01 0.08 -0.12 -0.11 -0.01 0.03 -0.04 -0.13 0.08 -0.01 -0.11 -0.03 0.11 -0.06 0.00 0.00 0.01 0.01 0.01 -0.02 -0.01 -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.00 -0.01 0.02 -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 -0.01 -0.00 0.00 0.01 -0.01 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 -0.01 0.00 0.00 -0.01 0.01 -0.01 -0.03 -0.04 0.00 0.00 0.02 0.00 -0.02 -0.04 -0.03 0.03 0.05 -0.03 -0.01 -0.00 -0.01 0.00 0.00 -0.00 0.06 -0.07 0.02 -0.08 0.01 -0.01 0.01 -0.04 0.04 0.04 0.02 0.01 -0.02 -0.01 0.03 -0.03 -0.01 -0.01 0.01 0.02 -0.01 -0.00 -0.02 -0.03 -0.02 0.03 -0.00 -0.05 -0.02 -0.01 -0.01 0.00 0.02 0.01 0.01 -0.00 0.00 0.02 0.00 -0.04 0.02 -0.01 0.05 -0.02 -0.03 -0.02 -0.06 -0.04 0.02 -0.05 0.02 -0.01 -0.04 -0.04 0.06 -0.12 -0.19 0.35 0.42 0.03 -0.02 0.13 0.50 -0.23 0.02 0.31 0.09 -0.35 0.18 -0.02 -0.00 -0.05 -0.02 -0.03 0.04 0.02 0.00 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 0.01 -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 -0.01 -0.00 0.00 0.00 -0.00 0.03 0.02 -0.01 -0.04 -0.02 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 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 -0.02 0.00 -0.00 0.00 -0.01 0.01 0.01 0.01 0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.01 0.01 -0.01 -0.00 -0.01 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.14 0.06 -0.23 -0.33 -0.21 0.10 0.10 -0.09 0.25 0.47 0.32 -0.15 -0.01 -0.08 -0.42 0.09 0.09 0.37 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.01 0.00 0.00 -0.00 0.01 -0.00 0.00 0.01 0.00 -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 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.02 -0.01 0.02 0.02 0.01 -0.01 -0.00 -0.02 -0.01 -0.02 -0.02 -0.05 0.04 0.01 0.00 0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.01 -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 0.00 -0.00 -0.00 -0.01 -0.04 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.01 0.00 0.00 0.00 0.01 0.01 0.00 -0.01 0.00 0.01 -0.01 -0.01 0.00 -0.19 -0.07 0.21 0.34 0.02 0.06 0.08 0.43 0.30 -0.04 -0.43 -0.13 0.45 -0.26 0.01 0.00 0.02 0.05 0.06 -0.07 -0.04 -0.01 -0.09 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.01 0.01 0.00 -0.00 -0.00 -0.03 -0.02 0.01 -0.02 -0.01 0.01 -0.00 0.00 0.00 0.01 0.00 0.00 -0.01 -0.01 0.01 0.00 0.00 -0.00 0.01 -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 -0.01 0.03 -0.02 -0.03 0.00 0.00 0.02 0.01 0.01 -0.01 -0.01 0.01 0.02 0.00 -0.01 -0.00 -0.02 -0.02 0.01 0.00 -0.00 -0.00 0.01 -0.00 0.15 -0.06 0.32 0.44 0.25 -0.15 -0.13 0.14 -0.36 0.28 0.21 -0.10 0.00 -0.05 -0.28 0.05 0.02 0.23 0.00 -0.01 0.00 -0.00 -0.00 -0.01 0.08 0.22 -0.13 0.10 -0.02 0.02 -0.22 0.10 -0.07 0.02 -0.01 -0.04 -0.01 0.03 -0.02 -0.00 -0.00 -0.01 0.01 0.01 -0.01 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.01 0.01 -0.00 0.01 0.01 -0.00 -0.00 0.00 0.00 0.01 0.00 0.01 -0.03 -0.01 0.02 0.01 0.01 -0.00 0.01 -0.06 0.02 0.01 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.01 0.02 0.02 -0.00 -0.00 -0.01 -0.00 -0.01 -0.01 -0.00 -0.01 -0.01 0.01 0.00 0.00 0.00 0.01 -0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.08 0.03 -0.15 -0.19 -0.12 0.06 0.06 -0.05 0.15 -0.13 -0.07 0.04 0.02 0.01 0.11 -0.03 -0.03 -0.11 0.01 -0.02 0.00 -0.00 -0.01 -0.01 0.19 0.52 -0.32 0.24 -0.05 0.04 -0.51 0.23 -0.15 0.05 -0.02 -0.09 -0.02 0.09 -0.06 -0.01 -0.00 -0.02 0.01 0.02 -0.02 -0.01 -0.00 -0.03 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.03 -0.01 0.01 -0.03 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.00 -0.01 -0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.00 0.00 -0.04 -0.02 -0.01 0.12 -0.34 0.31 0.43 -0.03 -0.02 -0.23 -0.06 -0.11 0.12 0.07 -0.19 -0.31 -0.00 0.19 0.03 0.31 0.27 -0.02 0.03 -0.01 -0.00 0.00 -0.00 0.14 -0.05 0.05 0.01 0.11 0.06 -0.01 -0.11 0.02 0.12 -0.09 0.04 -0.15 0.07 0.08 0.04 0.19 0.09 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 -0.00 0.00 -0.00 -0.01 0.01 -0.02 0.03 -0.01 0.02 0.00 0.01 0.01 -0.00 -0.02 -0.02 0.01 0.01 0.01 -0.01 0.01 -0.01 -0.00 -0.00 0.01 -0.02 -0.01 0.00 -0.00 -0.00 -0.01 0.01 -0.02 -0.00 -0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.11 -0.14 0.04 -0.07 0.01 -0.01 -0.01 -0.08 -0.12 -0.17 0.24 0.11 -0.08 -0.08 0.30 0.10 0.04 0.17 0.27 -0.12 -0.09 -0.06 -0.06 -0.20 -0.05 0.07 -0.02 -0.01 -0.00 -0.00 0.20 -0.07 0.06 -0.04 0.16 0.12 0.01 -0.18 0.09 0.19 -0.23 0.10 -0.29 0.14 0.21 0.07 0.37 0.12 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.02 -0.01 0.01 -0.00 0.00 -0.02 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.02 0.00 -0.00 0.01 0.00 0.00 0.00 0.02 0.01 -0.02 -0.03 -0.01 -0.01 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.01 0.02 0.01 0.00 -0.00 0.00 0.02 -0.01 0.03 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.06 0.11 -0.03 -0.02 -0.03 -0.01 0.03 -0.21 -0.05 -0.06 0.26 0.12 -0.19 -0.12 0.29 0.38 0.19 0.10 0.10 -0.29 0.11 -0.08 0.30 0.00 0.02 -0.05 0.01 -0.00 -0.00 -0.00 -0.30 0.11 -0.07 0.07 -0.23 -0.19 -0.02 0.28 -0.13 -0.05 0.04 -0.02 0.07 -0.03 -0.03 -0.01 -0.09 -0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.01 -0.02 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.02 -0.01 -0.01 -0.03 0.04 -0.01 0.00 0.00 0.00 0.00 0.01 0.02 0.00 -0.00 0.00 -0.02 0.01 -0.05 0.00 0.01 0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.03 -0.01 -0.01 0.00 -0.00 -0.02 0.06 -0.07 -0.10 0.03 0.02 0.04 0.01 0.06 0.27 0.14 0.06 0.04 -0.21 0.10 -0.05 0.23 0.03 0.12 -0.17 0.06 -0.00 -0.00 -0.00 0.37 -0.14 0.09 -0.10 0.29 0.24 0.03 -0.35 0.18 -0.15 0.20 -0.09 0.21 -0.11 -0.18 -0.05 -0.27 -0.10 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.02 0.04 0.00 0.01 -0.03 0.00 -0.02 -0.00 -0.00 -0.02 0.02 0.01 -0.03 0.01 0.01 -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 -0.00 -0.04 0.06 -0.02 0.04 -0.01 0.01 0.08 -0.15 0.30 0.40 -0.19 -0.09 -0.10 0.01 -0.31 0.11 0.03 0.33 0.46 -0.17 -0.17 -0.10 -0.16 -0.34 0.01 -0.01 0.00 0.01 0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.02 0.03 -0.01 0.03 -0.02 -0.03 -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 0.04 0.08 -0.02 0.03 -0.06 0.01 -0.05 -0.01 0.00 0.00 -0.00 -0.04 0.01 -0.00 0.02 -0.01 0.01 -0.01 0.01 0.00 0.00 -0.01 0.03 0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.08 0.10 -0.04 0.08 -0.01 0.02 0.06 -0.36 0.02 0.09 0.37 0.18 -0.32 -0.19 0.31 -0.31 -0.17 -0.05 -0.03 0.26 -0.15 0.06 -0.29 -0.02 0.10 -0.16 0.04 0.01 0.00 0.00 0.07 -0.03 0.01 -0.02 0.06 0.05 0.01 -0.07 0.03 -0.08 0.09 -0.05 0.09 -0.05 -0.07 -0.02 -0.12 -0.04 -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 0.01 0.00 -0.00 -0.00 -0.01 0.19 -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 0.01 0.00 0.02 0.00 -0.00 -0.00 0.05 -0.01 -0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 0.02 -0.02 -0.01 -0.39 0.05 0.20 0.43 0.03 -0.20 -0.34 0.09 0.16 0.05 -0.04 -0.02 -0.08 -0.04 0.02 0.01 -0.02 0.12 0.00 0.03 -0.12 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 0.13 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.00 -0.05 -0.03 0.01 0.11 -0.02 -0.19 0.21 -0.02 0.01 -0.21 0.15 0.12 0.15 0.05 -0.10 -0.19 -0.09 -0.04 -0.05 -0.05 -0.03 -0.10 -0.11 0.04 0.11 0.07 0.12 0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -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 0.08 -0.01 -0.04 -0.09 -0.01 0.05 0.03 -0.00 -0.02 -0.01 0.01 0.00 0.01 0.02 -0.05 0.03 -0.08 0.40 0.00 0.10 -0.35 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.01 0.00 -0.02 -0.00 0.03 -0.03 0.01 0.00 0.04 -0.03 -0.02 -0.06 -0.08 -0.15 -0.11 0.03 -0.14 -0.25 -0.14 -0.29 -0.30 -0.29 0.08 0.32 0.19 0.33 -0.02 -0.01 -0.03 -0.04 -0.07 -0.37 0.07 -0.03 -0.03 -0.01 0.00 0.01 0.02 -0.05 0.03 -0.02 -0.01 -0.07 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.14 0.24 0.01 0.12 0.10 0.59 0.14 -0.25 -0.05 0.02 0.01 0.03 -0.01 0.03 0.02 -0.02 0.02 -0.01 0.00 -0.00 -0.01 0.08 -0.02 -0.05 -0.08 -0.01 0.04 -0.11 0.06 0.05 -0.01 0.01 0.01 0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.07 0.12 -0.02 -0.18 -0.03 -0.10 0.01 0.02 0.04 0.01 0.01 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.05 0.02 -0.04 -0.02 -0.01 -0.06 0.14 -0.16 0.15 -0.10 -0.03 0.02 -0.09 0.05 0.07 0.04 -0.11 -0.12 0.01 0.12 0.04 0.07 -0.09 0.05 -0.09 0.05 -0.01 -0.01 0.10 -0.04 0.01 -0.01 -0.01 -0.05 0.01 0.03 -0.03 0.01 0.05 -0.05 0.01 0.00 0.05 -0.04 -0.03 -0.01 -0.00 0.00 0.02 0.02 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 0.01 0.01 0.06 -0.22 0.10 0.11 0.01 0.00 -0.01 0.04 -0.06 0.02 0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.18 0.29 0.02 -0.03 -0.01 -0.09 0.17 -0.30 -0.07 -0.01 -0.01 -0.01 -0.01 0.03 0.02 -0.02 0.03 -0.01 -0.03 0.00 0.02 -0.23 0.05 0.12 0.19 0.03 -0.09 0.34 -0.17 -0.16 0.03 -0.03 -0.02 -0.02 -0.01 0.01 -0.00 -0.01 0.03 0.00 0.01 -0.03 -0.12 0.16 -0.05 0.03 0.01 0.02 -0.00 -0.01 -0.01 -0.00 0.01 0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.01 -0.01 0.01 0.01 -0.00 0.02 0.17 -0.19 0.20 0.06 0.08 0.01 -0.11 0.06 0.09 0.05 -0.14 -0.14 0.02 0.14 0.06 0.08 -0.11 0.06 -0.12 0.06 -0.02 -0.02 0.13 -0.06 0.03 0.00 -0.02 0.09 -0.00 -0.04 0.05 -0.04 -0.08 0.09 -0.05 -0.01 -0.08 0.06 0.05 -0.01 -0.01 0.00 -0.06 -0.09 -0.01 -0.02 -0.01 -0.02 -0.02 -0.03 0.01 0.03 0.01 0.04 -0.00 -0.00 -0.02 -0.02 -0.04 -0.21 -0.19 0.09 0.09 -0.02 -0.01 0.01 -0.04 0.05 -0.01 -0.01 0.01 -0.04 0.00 0.00 -0.00 0.00 -0.00 0.00 0.17 -0.28 -0.02 0.06 0.06 0.33 -0.17 0.30 0.07 0.01 -0.00 0.00 0.01 -0.03 -0.02 0.02 -0.03 0.01 -0.03 0.00 0.01 -0.18 0.05 0.09 0.15 0.02 -0.07 0.29 -0.14 -0.14 0.02 -0.02 -0.01 -0.01 -0.01 0.01 -0.00 -0.01 0.03 -0.00 0.01 -0.03 0.13 -0.17 0.06 -0.10 -0.02 -0.06 0.01 0.02 0.03 0.01 -0.01 -0.01 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.03 0.02 -0.02 -0.02 0.00 -0.04 -0.17 0.18 -0.20 -0.01 0.06 0.03 0.10 -0.06 -0.09 -0.04 0.13 0.13 -0.02 -0.14 -0.06 -0.08 0.10 -0.06 0.12 -0.06 0.03 0.02 -0.12 0.06 0.04 -0.00 -0.03 0.06 0.01 -0.02 0.04 -0.04 -0.05 0.06 -0.04 -0.00 -0.05 0.04 0.03 -0.01 -0.01 0.00 -0.05 -0.08 -0.01 -0.02 -0.01 -0.02 -0.02 -0.03 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 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.03 0.04 -0.02 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -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 0.00 0.07 0.17 -0.02 0.05 -0.05 0.05 -0.18 0.01 0.06 -0.02 0.19 0.33 -0.24 -0.57 0.07 0.59 -0.05 -0.18 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -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 0.03 -0.01 0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.02 -0.00 0.00 0.00 0.01 -0.02 -0.00 0.01 -0.00 -0.01 -0.02 -0.00 -0.00 0.00 -0.24 -0.59 0.05 -0.16 0.15 -0.20 0.61 -0.04 -0.21 -0.00 0.05 0.10 -0.07 -0.16 0.02 0.17 -0.01 -0.05 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.01 -0.01 -0.04 0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.36 -0.04 0.10 0.01 0.10 -0.18 0.14 -0.31 -0.04 -0.28 0.50 0.08 -0.13 -0.15 -0.19 0.50 0.10 -0.16 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 -0.00 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 0.01 -0.04 0.06 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 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 0.00 -0.07 -0.03 -0.04 0.01 -0.42 0.64 -0.27 0.34 -0.19 -0.41 -0.03 -0.03 0.02 -0.01 -0.00 -0.01 0.01 0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.03 -0.03 -0.02 -0.00 -0.03 0.02 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -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 0.55 0.06 -0.15 -0.02 -0.16 0.28 -0.21 0.47 0.06 -0.19 0.33 0.05 -0.08 -0.10 -0.13 0.32 0.06 -0.10 -0.00 -0.00 -0.02 -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 0.01 -0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 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 -0.03 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 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 -0.58 0.03 -0.26 -0.07 -0.02 0.66 0.20 0.30 -0.09 -0.05 0.07 -0.03 0.04 -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 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.02 0.01 -0.00 -0.07 -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 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.05 -0.14 0.01 0.00 0.00 -0.00 -0.14 0.01 0.05 -0.02 -0.01 0.01 0.24 0.64 -0.08 0.66 -0.08 -0.19 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.07 -0.05 0.02 -0.02 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.24 0.65 -0.05 -0.01 -0.01 0.01 0.64 -0.07 -0.22 -0.00 -0.00 0.00 0.05 0.14 -0.02 0.14 -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 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -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 -0.03 -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 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.01 0.00 -0.28 0.44 -0.21 -0.48 0.25 0.62 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 -0.01 -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 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.03 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.36 0.31 0.66 -0.17 0.42 -0.35 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 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 0.02 -0.01 -0.01 -0.08 0.04 0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.17 -0.02 0.05 0.01 -0.01 0.01 -0.08 0.18 0.02 0.30 -0.57 -0.08 -0.03 -0.00 -0.01 0.66 0.15 -0.21 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 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 -0.08 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 0.01 -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 0.66 -0.04 0.27 -0.10 -0.02 0.68 -0.02 -0.01 -0.01 -0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.07 -0.05 -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 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.62 -0.08 0.17 0.01 -0.02 0.02 -0.27 0.64 0.08 -0.09 0.16 0.02 0.00 -0.00 -0.00 -0.19 -0.04 0.06 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 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 -0.08 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.02 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.08 -0.17 0.95 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.07 -0.06 -0.12 -0.05 0.13 -0.10 0.02 -0.00 0.01 -0.01 -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 0.00 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 -0.06 -0.07 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 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 -0.02 -0.06 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.03 0.43 0.81 0.11 0.24 -0.05 -0.26 0.01 0.06 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.06 -0.07 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 0.01 0.00 -0.00 -0.04 -0.25 -0.02 0.06 -0.03 -0.43 0.80 0.11 -0.24 -0.04 0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.01 -0.00 0.00 -0.01 -0.06 -0.16 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.01 0.01 -0.01 -0.01 0.00 0.00 0.00 -0.01 -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 0.00 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 0.04 -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 0.02 0.04 -0.23 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.24 -0.23 -0.44 -0.23 0.60 -0.47 -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 0.01 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 -0.05 0.05 -0.05 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 -0.05 -0.14 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.01 0.02 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 0.01 0.02 0.00 0.00 -0.00 0.00 0.01 0.02 0.00 0.00 -0.00 -0.09 -0.19 0.01 0.50 -0.47 0.64 0.19 -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 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.03 -0.03 0.01 0.00 -0.01 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.00 0.01 -0.00 0.01 -0.01 -0.01 0.40 0.41 -0.16 -0.37 -0.22 -0.39 0.36 0.37 -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 -0.06 -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 -0.00 0.01 0.00 0.01 0.01 0.02 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.23 -0.02 0.11 0.02 -0.00 -0.25 0.48 0.76 -0.23 -0.01 0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.00 0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.04 -0.06 -0.05 -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 -0.01 -0.02 -0.05 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 0.00 0.00 -0.12 0.18 0.02 0.44 0.49 0.68 0.21 0.03 -0.08 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.02 0.02 -0.02 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.02 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.04 -0.05 0.03 0.01 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 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -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 0.02 -0.01 -0.03 0.53 0.53 -0.21 0.21 0.13 0.22 -0.34 -0.35 0.16 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.01 -0.01 0.00 -0.00 0.00 -0.00 -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 -0.02 -0.06 -0.15 0.00 0.00 -0.03 -0.03 -0.00 0.01 -0.00 -0.08 0.14 0.01 -0.03 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.06 0.33 0.91 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.03 0.03 -0.04 0.00 -0.00 -0.00 -0.00 0.03 0.05 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 -0.01 -0.03 -0.07 -0.00 -0.00 0.03 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 -0.01 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 0.10 0.33 0.83 0.05 0.01 -0.38 -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 0.04 0.01 0.00 -0.00 0.01 0.05 0.13 -0.00 0.00 -0.00 -0.01 -0.02 0.00 0.07 -0.07 0.09 0.02 0.00 -0.01 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.03 0.01 0.00 -0.08 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.04 0.14 0.35 -0.13 -0.01 0.91 -0.01 -0.00 0.00 -0.00 -0.02 0.04 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.01 0.01 0.02 0.01 0.00 -0.00 0.01 0.03 0.08 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.03 -0.03 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 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.08 0.08 -0.03 0.47 0.27 0.50 0.43 0.44 -0.22 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 0.99997 0.00403 0.00625 -0.00399 0.99997 -0.00635 -0.00628 0.00632 0.99996 asymmetric 1 0.02301 0.00574 0.00512 0.47938 0.11968 0.10677 1068238.6 18.84 25.39 33.31 47.15 63.35 91.78 112.17 131.14 145.59 161.37 179.78 188.24 202.85 222.34 247.99 260.10 273.55 309.34 334.96 362.37 406.08 419.30 423.42 439.71 450.13 492.29 516.60 544.05 576.27 635.42 637.19 682.52 706.50 738.91 772.34 784.42 796.93 855.25 872.61 912.25 943.22 977.20 1069.71 1112.55 1140.26 1197.39 1205.34 1236.32 1267.15 1285.49 1319.98 1324.72 1356.53 1378.54 1395.11 1406.73 1411.87 1428.29 1448.62 1456.19 1478.07 1489.89 1505.29 1513.16 1526.48 1530.40 1547.93 1567.44 1579.93 1586.17 1605.81 1628.08 1675.28 1689.69 1710.17 1742.62 1748.52 1781.89 1812.76 1840.60 1894.37 1895.14 1902.21 1918.41 1947.11 1962.39 1981.63 2018.33 2027.23 2029.50 2034.53 2039.36 2048.37 2062.61 2069.55 2092.98 2094.94 2099.26 2113.18 2123.99 2124.35 2125.24 2129.94 2134.38 2139.52 2151.63 2163.06 2406.80 2433.44 2457.43 2468.34 2471.70 4316.38 4328.47 4341.00 4344.58 4347.45 4350.99 4376.98 4383.44 4386.84 4407.45 4416.18 4418.58 4423.74 4444.61 4445.97 4471.84 4477.33 4480.69 4490.25 4495.21 4497.52 4507.15 4515.38 4554.28 4566.33 4614.46 0.406871 0.431536 0.432481 0.349252 -965.241687 -965.217021 -965.216077 -965.299305 270.793 90.734 175.169 0.000 0.000 0.000 0.889 2.981 43.014 0.889 2.981 35.216 269.016 84.773 96.938 1 0.593 1.987 7.475 2 0.593 1.986 6.883 3 0.593 1.985 6.344 4 0.594 1.983 5.654 5 0.595 1.980 5.069 6 0.597 1.972 4.336 7 0.599 1.964 3.942 8 0.602 1.955 3.635 9 0.604 1.948 3.431 10 0.607 1.939 3.231 11 0.610 1.928 3.022 12 0.612 1.922 2.934 13 0.615 1.912 2.790 14 0.620 1.898 2.616 15 0.626 1.876 2.410 16 0.630 1.866 2.320 17 0.633 1.853 2.227 18 0.645 1.818 2.001 19 0.654 1.791 1.857 20 0.664 1.760 1.718 21 0.681 1.707 1.520 22 0.687 1.690 1.466 23 0.689 1.684 1.449 24 0.696 1.663 1.386 25 0.701 1.649 1.347 26 0.721 1.591 1.202 27 0.734 1.557 1.126 28 0.748 1.517 1.047 29 0.766 1.469 0.961 30 0.801 1.379 0.821 31 0.803 1.377 0.818 32 0.831 1.307 0.725 33 0.847 1.270 0.681 34 0.869 1.220 0.625 35 0.892 1.169 0.572 36 0.900 1.150 0.554 37 0.909 1.131 0.536 38 0.952 1.044 0.459 39 0.965 1.018 0.439 0.318086e+27 26.502545 61.024365 0.138925e+12 11.142781 25.657202 0.100000e+01 0.000000 0.000000 0.206476e+09 8.314870 19.145696 0.110890e+08 7.044893 16.221466 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -5.3138 2.5906 -0.1357 5.9132 -153.4087 -127.4661 -138.8371 14.7527 12.0953 -4.1252 -13.5047 12.4379 1.0668 14.7527 12.0953 -4.1252 -218.5090 -3.5492 -8.0523 -17.7701 105.0212 52.1724 -7.8127 4.5708 3.9198 -31.5005 -11991.8203 -2347.0353 -941.9043 468.3923 251.6405 3.2839 -29.0922 33.5445 8.1142 -2180.4911 -2007.8839 -568.0917 -138.0004 8.9742 31.3571 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -965.6485572 1.531E-9 3.632E-6 0.4068706 0.4315363 -965.2170209 -965.2160767 -965.2993049 -11.6213397,2.6947457,8.926594,6.4408989,11.2932481,-4.901755 C01[X(C19H26O3)] 2.1773147 0.2556222 -0.7785766 -2.694918 0.6331471 0.0781439 0.4929183 -0.788188 -0.1548626 0.0302893 -0.1606284 -0.4699462 -1.1053745 -0.0822521 -0.1090971 -0.019592 -1.4370022 -0.4069502 -0.0342163 -0.4993199 -0.7011892 -1.945139 0.5153056 0.6451208 0.5181962 -0.6945056 -0.1777197 0.6601616 -0.2166073 -1.0588769 0.7907152 0.039175 0.0428261 -0.3275021 0.1864992 0.0587789 -0.2717291 -0.0264512 0.2967429 0.3658412 -0.0241592 0.118289 -0.3536104 0.0069852 -0.069704 0.4160133 0.0071387 -0.1667984 -1.57097 -0.1622618 -0.1144527 0.0586355 -0.0906787 0.1018414 -0.3686985 -0.0427918 -0.010006 0.022256 -0.0580365 -0.0205685 0.0396765 -0.01912 0.0443035 -0.0072489 -0.0188045 0.1007902 -0.0060918 -0.0287686 -0.0584492 -0.0053084 0.0175901 -0.1063787 -0.033238 -0.0176303 0.0060672 -0.1761419 0.1597904 -0.2366934 0.3743325 0.0220498 -0.1237023 -0.0509861 0.0853105 -0.1468122 3.1820265 -0.297038 0.0651443 -0.3190432 1.8254017 0.6483506 0.0565753 0.7834941 0.5809466 -0.0150825 0.1662774 -0.2459894 0.0849232 0.2018182 0.2043936 -0.3421317 0.1060748 0.3085686 1.36987 -0.1366568 0.1244032 0.4245769 0.2469217 0.0275496 0.3497021 -0.0676528 0.3433087 0.0934559 -0.0604265 0.0916781 -0.0854781 -0.0432902 -0.0639355 0.0631487 -0.1005771 0.005062 0.1024085 -0.112058 0.0601496 -0.0642173 0.0037822 -0.0615144 0.126149 0.0246987 0.0499931 -0.3362615 0.2011904 -0.1709716 0.2058936 0.0182839 0.0257875 -0.2638989 0.1255548 -0.2498467 0.5729752 -0.2866742 -0.4719073 -0.464725 0.0908129 0.215904 -0.3758519 0.0633345 0.2873261 -0.5651209 0.1173812 0.5773527 0.0271362 -0.1677479 -0.1964875 0.8478592 -0.2864379 -0.662937 2.0837528 -0.6799067 -0.7015865 -0.5790805 0.5151148 0.0348753 -1.1174139 0.2650643 1.7047206 -0.1786794 0.0681834 0.2002348 0.1829138 -0.0068617 -0.071926 0.14028 -0.0248794 -0.1429044 0.1075525 -0.0386914 -0.0699593 -0.1126247 0.0152195 -0.0950141 -0.1264226 0.0202532 0.0579794 0.0075263 0.1429299 0.2620576 0.2042475 0.326076 0.1423495 0.2756986 0.1295328 0.0011525 -0.2137014 -0.0276319 0.2066066 -0.1026854 -0.2780324 -0.0978165 0.1998409 -0.0257349 -0.1931665 0.0406414 -0.0518896 0.0284395 -0.0249798 -0.010636 -0.0522538 0.032707 -0.0628091 -0.00565 -0.0049751 0.0051453 -0.0180243 0.0229126 -0.0516011 -0.0605509 0.0354933 -0.0272001 0.1165456 -0.189018 0.0693466 -0.1058569 0.0714621 0.0544662 -0.0254936 -0.062954 -0.0206437 0.0329664 0.0887808 0.0013816 -0.0350163 -0.0384797 -0.1652349 0.0190255 -0.0243764 0.0633363 0.0664084 0.0159007 -0.0222794 0.1267669 -0.0407254 0.0927167 0.021478 0.0709731 0.0197705 -0.1873209 0.00705 -0.0464729 0.1676697 -0.0086934 0.0063808 0.0697622 0.1347453 0.0804903 -0.1346788 0.0890855 -0.0783791 -0.0358384 -0.0609202 -0.0029345 -0.0522798 -0.0605291 -0.0990938 -0.02022 -0.1503438 0.1290451 -0.0665229 0.0991759 0.0037156 0.0788971 -0.0470905 0.0517101 0.0758027 0.112613 -0.0533835 0.0636441 -0.0730227 -0.0525845 -0.1126748 0.0546223 -0.1217263 0.0084232 -0.0320541 0.0693307 -0.0119322 -0.0726903 0.0015187 -0.015187 -0.1229557 0.0165804 0.0606453 0.1027012 0.0199484 -0.08869 0.0695441 0.033151 0.0566411 0.0023681 0.0463204 -0.1931572 0.0126222 -0.1326529 0.0175003 -0.109101 -0.0946662 -0.0029694 0.0447809 0.0384727 0.0631209 -0.1673565 0.0884234 0.0705666 0.095805 0.0597368 -0.1064497 0.0302883 -0.0181907 0.0399975 0.0710979 0.0058693 0.0443057 -0.0441969 -0.083493 -0.0894223 0.0037113 -0.1598788 -0.0465647 0.0357463 0.0087429 -0.0617057 -0.0892847 0.0032437 0.1464835 -0.014179 0.1236537 -0.1546587 -0.2231574 0.0005364 0.1107138 0.0483754 0.0170175 0.0447515 0.0325636 0.0031866 0.0918193 0.0839117 -0.0349807 -0.0528381 -0.0234212 0.0444553 -0.0631178 -0.0110584 -0.0478332 0.0452757 0.0317974 -0.026659 0.0543653 -0.0325942 0.0054869 0.1125394 0.0695253 0.0385681 0.0508125 -0.0842584 -0.0536846 -0.0102426 -0.1126098 0.1091106 0.0013568 0.0214829 -0.0555365 0.0441664 0.1155283 0.0046264 0.015993 0.0120316 -0.0653392 -0.0293148 0.1137345 -0.035379 0.0354712 0.0481439 0.0640116 -0.0729451 0.045045 0.0562453 0.0987332 -0.029384 0.0643346 -0.0719497 -0.0274552 -0.1466363 0.0136972 -0.0211905 0.0147958 0.0749671 0.001426 0.0515219 -0.0343689 -0.0169283 0.0615418 -0.0094945 0.0922966 -0.0053327 -0.0279686 -0.0074733 -0.1449831 0.0411378 0.008987 0.0737387 -0.168367 0.0143108 0.0163179 0.0300125 -0.1922692 0.0721116 0.0059461 0.0616115 -0.0792397 -0.1367421 -0.0573557 0.0257126 -0.048055 -0.1378732 -0.0755895 0.0616659 0.0784292 0.0757507 -0.1117779 0.0587233 0.0366221 0.0529673 -0.1121612 0.0758657 0.0681896 367.1704859|-12.8240679|285.9615017|-30.7919823|-2.2392794|317.9191121 0.000002569 -0.000003154 -0.000008842 -0.000005629 0.000005076 -0.000004082 -0.000001078 -0.000000295 -0.000002158 0.000007167 0.000017653 0.000008590 0.000006043 -0.000005651 -0.000005593 -0.000008929 -0.000008782 -0.000005838 -0.000005120 -0.000002093 0.000001985 -0.000001837 -0.000005794 -0.000003707 -0.000002436 0.000001650 0.000003629 0.000000536 0.000004425 0.000016205 0.000000338 0.000002034 0.000003139 0.000000172 -0.000002909 0.000001492 0.000000040 -0.000003317 -0.000001884 0.000000454 -0.000000477 -0.000000249 -0.000002053 0.000004496 0.000001176 -0.000004428 0.000004419 -0.000002336 0.000000309 -0.000004787 0.000006142 0.000008276 0.000001091 -0.000008082 0.000000823 -0.000002953 -0.000001918 0.000002109 0.000005550 -0.000000916 -0.000001101 -0.000005357 -0.000002238 0.000000486 -0.000000373 -0.000001744 0.000000036 0.000000351 0.000003341 0.000002029 0.000002437 -0.000000617 -0.000003552 0.000000313 0.000001277 -0.000000471 -0.000001468 0.000000382 -0.000000747 0.000002138 -0.000001278 0.000000987 0.000001272 0.000001083 -0.000000615 0.000002139 0.000004008 -0.000002804 0.000002290 0.000000417 0.000000812 -0.000000824 -0.000000328 0.000000754 0.000000276 -0.000001858 0.000001873 -0.000001479 0.000003531 0.000000270 -0.000000022 0.000002097 -0.000000442 0.000000444 0.000002461 0.000000242 -0.000002678 -0.000000234 0.000001339 -0.000002063 0.000002623 -0.000001476 -0.000000060 0.000001181 -0.000001545 -0.000000362 -0.000002107 -0.000000779 0.000000275 -0.000003204 -0.000000275 -0.000000281 0.000000325 0.000001141 0.000001477 0.000001224 0.000001524 -0.000001515 0.000000596 -0.000000561 -0.000003561 -0.000001452 0.000001803 -0.000001300 -0.000003273 0.000001975 -0.000000587 -0.000000668 0.000001831 0.000000906 -0.000000828 -0.000000060 0.000001430 -0.000001472 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:-.4343,-.002,.9593;.5696,-1.8222,.0627;-4.9267,1.0102,1.3786;3.0196,-.7941,1.782;3.2072,-.4155,.3339;1.8883,-.0654,1.0424;3.7101,.0027,2.8738;2.8772,-2.2654,2.1214;4.0949,.6764,-.1214;.6496,-.7476,.628;4.8311,.7012,-1.2443;-1.7588,-.4916,.6074;4.8893,-.4045,-2.2657;5.6926,1.8938,-1.5752;-2.7652,-.0788,1.6789;-2.242,.1665,-.6694;-3.434,.7757,-.4942;-3.8639,.6286,.9055;-1.4484,.0562,-1.9216;-4.2771,1.4743,-1.5162;-5.1387,.5685,-2.3655;-5.1494,-.7628,-2.3504;3.0989,-1.255,-.3429;1.7479,.9703,1.3258;4.7402,-.3474,3.0004;3.7411,1.0729,2.6642;3.1889,-.137,3.8263;2.2695,-2.3966,3.0233;2.4187,-2.8374,1.3152;3.867,-2.6893,2.3208;4.1435,1.5462,.5288;-1.7029,-1.5735,.4794;4.5909,-.0259,-3.2509;4.2549,-1.2584,-2.0273;5.9186,-.768,-2.3724;5.629,2.6737,-.8123;5.3984,2.3301,-2.5379;6.744,1.5978,-1.6767;-2.3177,.6248,2.3857;-3.1707,-.9178,2.247;-.4372,.4495,-1.7708;-1.3353,-.9975,-2.1993;-1.9128,.5888,-2.7518;-3.6434,2.0724,-2.1818;-4.931,2.1896,-1.0045;-5.8006,1.096,-3.0501;-5.8076,-1.3231,-3.0067;-4.5114,-1.3401,-1.6882; Gaussian 16 10-Oct-2024 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:-.4343,-.002,.9593;.5696,-1.8222,.0627;-4.9267,1.0102,1.3786;3.0196,-.7941,1.782;3.2072,-.4155,.3339;1.8883,-.0654,1.0424;3.7101,.0027,2.8738;2.8772,-2.2654,2.1214;4.0949,.6764,-.1214;.6496,-.7476,.628;4.8311,.7012,-1.2443;-1.7588,-.4916,.6074;4.8893,-.4045,-2.2657;5.6926,1.8938,-1.5752;-2.7652,-.0788,1.6789;-2.242,.1665,-.6694;-3.434,.7757,-.4942;-3.8639,.6286,.9055;-1.4484,.0562,-1.9216;-4.2771,1.4743,-1.5162;-5.1387,.5685,-2.3655;-5.1494,-.7628,-2.3504;3.0989,-1.255,-.3429;1.7479,.9703,1.3258;4.7402,-.3474,3.0004;3.7411,1.0729,2.6642;3.1889,-.137,3.8263;2.2695,-2.3966,3.0233;2.4187,-2.8374,1.3152;3.867,-2.6893,2.3208;4.1435,1.5462,.5288;-1.7029,-1.5735,.4794;4.5909,-.0259,-3.2509;4.2549,-1.2584,-2.0273;5.9186,-.768,-2.3724;5.629,2.6737,-.8123;5.3984,2.3301,-2.5379;6.744,1.5978,-1.6767;-2.3177,.6248,2.3857;-3.1707,-.9178,2.247;-.4372,.4495,-1.7708;-1.3353,-.9975,-2.1993;-1.9128,.5888,-2.7518;-3.6434,2.0724,-2.1818;-4.931,2.1896,-1.0045;-5.8006,1.096,-3.0501;-5.8076,-1.3231,-3.0067;-4.5114,-1.3401,-1.6882; 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 Bioallethrin CONF147 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 1773.4311813410 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 -0.0482748527 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 2.263835 0.000000 4.624037 6.321666 0.000000 3.637815 3.164683 8.158518 0.000000 3.717921 3.001536 8.323734 1.508476 0.000000 2.324934 2.405217 6.907493 1.535550 1.537604 0.000000 4.565295 4.592973 8.823009 1.517839 2.622785 2.584167 0.000000 4.176069 3.124023 8.495994 1.516587 2.593430 2.642375 2.530604 0.000000 4.705523 4.324902 9.151512 2.634755 1.479103 2.602696 3.094118 3.894529 0.000000 1.356626 1.216877 5.894714 2.636452 2.595837 1.473604 3.869591 3.081619 3.802601 0.000000 5.751136 5.122162 10.108929 3.830993 2.524897 3.804921 4.324807 4.893523 1.342995 4.805228 0.000000 1.455309 2.736593 3.589622 4.929968 4.974169 3.697608 5.940609 5.189562 6.013452 2.422055 6.948341 0.000000 6.237262 5.107940 10.565769 4.475679 3.096377 4.479379 5.288779 5.172830 2.529331 5.144567 1.506354 7.242910 0.000000 6.896132 6.537319 11.057762 5.063699 3.892947 5.016304 5.225004 6.236219 2.479547 6.104357 1.507974 8.122647 2.530699 0.000000 2.440638 4.095424 2.438878 5.829749 6.131245 4.696809 6.585171 6.067428 7.132482 3.634857 8.176677 1.526857 8.617252 9.274385 0.000000 2.439024 3.520839 3.480431 5.883590 5.571334 4.476985 6.928888 6.317361 6.380978 3.298488 7.116621 1.515466 7.330069 8.170805 2.418311 0.000000 3.422834 4.805055 2.406318 7.021010 6.797876 5.603169 7.936017 7.478054 7.538796 4.500604 8.299480 2.371868 8.591194 9.258158 2.428957 1.350070 0.000000 3.487501 5.135467 1.224289 7.083415 7.170631 5.795509 7.850614 7.436134 8.024926 4.726764 8.957191 2.403131 9.367098 9.953953 1.518433 2.307470 1.471642 0.000000 3.054716 3.396814 4.888739 5.865365 5.194677 4.464690 7.043394 6.359747 5.861172 3.398222 6.348803 2.606165 6.363711 7.381746 3.836093 1.486621 2.549086 3.762314 0.000000 4.803628 6.070520 3.002826 8.322622 7.937898 6.850505 9.232257 8.854495 8.524839 5.814358 9.145085 3.836158 9.386965 9.978701 3.860904 2.563040 1.497776 2.598216 3.190178 0.000000 5.788861 6.648062 3.775957 9.252896 8.826656 7.835434 10.299155 9.613420 9.503002 6.648087 10.033589 4.624397 10.075597 10.940654 4.733838 3.380695 2.539777 3.511140 3.752068 1.511331 0.000000 5.810804 6.297092 4.135031 9.154827 8.784085 7.843918 10.313623 9.310324 9.617562 6.519177 10.147845 4.507573 10.045477 11.189623 4.731560 3.484600 2.958889 3.766921 3.814758 2.541933 1.331383 0.000000 3.968565 2.623648 8.514983 2.175772 1.083769 2.190893 3.507538 2.672593 2.184414 2.683184 2.764055 5.008352 2.761535 4.261586 6.313390 5.536510 6.842956 7.320350 4.988945 7.951861 8.676093 8.503398 0.000000 2.416949 3.283587 6.674874 2.222304 2.243709 1.082926 2.680149 3.518253 2.772974 2.155083 4.023031 3.866565 4.965658 4.982927 4.646832 4.532796 5.495672 5.637858 4.647296 6.680695 7.823815 8.005696 3.092273 0.000000 5.573197 5.310213 9.895517 2.155088 3.076441 3.470795 1.095227 2.814588 3.348155 4.745664 4.373243 6.927074 5.268500 5.183254 7.625550 7.904570 8.960519 8.909043 7.917503 10.248400 11.279335 11.252016 3.833405 3.673463 0.000000 4.636364 5.020681 8.762812 2.187340 2.816100 2.712680 1.090993 3.490674 2.835797 4.125228 4.074642 6.076771 5.273007 4.738620 6.680487 6.908816 7.845120 7.818322 6.999531 9.051431 10.217753 10.370973 3.856676 2.403040 1.768709 0.000000 4.622282 4.885179 8.553944 2.153959 3.503503 3.073545 1.094692 2.744768 4.131208 4.129168 5.395438 5.913312 6.330508 6.290383 6.329770 7.056778 7.960079 7.671963 7.387820 9.320946 10.401183 10.395727 4.317431 3.091126 1.769987 1.766143 0.000000 4.159932 3.461855 8.130000 2.161347 3.469393 3.082841 2.802587 1.095392 4.760782 3.328813 5.862681 5.068872 6.229388 7.160433 5.703345 6.368626 7.413965 7.159316 6.655147 8.857185 9.628725 9.305211 3.649973 3.806570 3.210017 3.785785 2.568298 0.000000 4.038092 2.453274 8.292380 2.180341 2.729455 2.835463 3.487558 1.089671 4.149746 2.823054 4.989220 4.843154 4.984513 6.438708 5.883498 5.889378 7.112207 7.186991 5.814163 8.452373 9.069877 8.661314 2.390760 3.866386 3.798552 4.342644 3.767083 1.770335 0.000000 5.251343 4.089450 9.586606 2.144769 3.090779 3.526257 2.752631 1.095066 4.164679 4.121627 5.013490 6.278212 5.225092 6.286237 7.156317 7.376794 8.557783 8.531029 7.334116 9.918939 10.661965 10.335782 3.121290 4.344355 2.590100 3.779878 3.039791 1.769480 1.769380 0.000000 4.851685 4.933177 9.125686 2.882836 2.182443 2.819070 2.840643 4.320627 1.087032 4.180790 2.081110 6.244733 3.488673 2.635798 7.189836 6.641892 7.685034 8.068646 6.284452 8.665742 9.772063 9.999042 3.114159 2.589599 3.170168 2.223856 3.823290 5.027931 4.775875 4.607245 0.000000 2.075861 2.323695 4.228161 4.960406 5.046867 3.935427 6.125210 4.914452 6.247966 2.497620 7.130113 1.090915 7.235905 8.422356 2.191257 2.153599 3.076311 3.114663 2.912966 4.460781 4.948381 4.532553 4.882052 4.369785 7.026471 6.435305 6.098737 4.788381 4.391308 5.971531 6.626852 0.000000 6.555796 5.511527 10.634331 5.328121 3.862243 5.073246 6.187763 6.067375 3.245414 5.576760 2.147680 7.444563 1.096760 2.776152 8.855327 7.306810 8.522946 9.443900 6.184363 9.159769 9.787863 9.809556 3.491831 5.479154 6.261264 6.075925 7.215527 7.097448 5.785434 6.217803 4.117979 7.478003 0.000000 5.699731 4.274006 10.052248 4.031439 2.717251 4.055541 5.090034 4.485952 2.720632 4.506653 2.187523 6.610163 1.090203 3.494038 8.025505 6.788520 8.099827 8.836120 5.853768 8.973536 9.575571 9.422903 2.042915 4.742988 5.132556 5.263925 6.054632 5.544870 4.127556 4.593914 3.796346 6.471251 1.768915 0.000000 7.214355 5.971033 11.612602 5.066021 3.847104 5.329029 5.744099 5.629128 3.237186 6.063499 2.147917 8.240083 1.096822 2.787808 9.607121 8.388665 9.663466 10.411211 7.426664 10.474467 11.137818 11.068084 3.508136 5.838997 5.516578 5.787708 6.802473 6.714335 5.489097 5.470581 4.113828 8.177314 1.756464 1.768547 0.000000 6.860142 6.824657 10.908230 5.056204 4.089265 4.993549 4.940040 6.369712 2.611454 6.210813 2.171154 8.161769 3.483476 1.092778 9.178489 8.261925 9.265090 9.861472 7.626995 10.003270 11.080969 11.417075 4.696421 4.747232 4.945027 4.267621 5.947316 7.190691 6.723374 6.456179 2.297071 8.571056 3.783112 4.338883 3.789802 0.000000 7.189571 6.879130 11.121542 5.837926 4.537329 5.556822 6.128143 7.013143 3.205178 6.484349 2.156047 8.311504 2.794895 1.097083 9.498882 8.157764 9.198099 10.027122 7.240816 9.766924 10.684785 10.993571 4.791564 5.486700 6.186646 5.602561 7.174358 7.940970 7.101259 7.151687 3.405020 8.646984 2.590637 3.800814 3.145801 1.774480 0.000000 7.812587 7.269503 12.078300 5.617455 4.539310 5.808473 5.697069 6.656012 3.207148 6.924965 2.156395 9.048831 2.792194 1.097027 10.222345 9.154917 10.279436 10.960637 8.339796 11.023017 11.947113 12.144166 4.817139 5.862639 5.447424 5.304370 6.777286 7.620182 6.879740 6.529695 3.410229 9.276627 3.122596 3.804892 2.600454 1.774209 1.757400 0.000000 2.444283 4.440770 2.823108 5.555520 5.984691 4.468851 6.079433 5.950574 6.885441 3.711779 8.018026 2.172807 8.639178 9.025710 1.093123 3.090227 3.092439 2.140540 4.430797 4.448182 5.525881 5.689934 6.349668 4.215606 7.150928 6.081675 5.742613 5.529690 5.963740 7.016915 6.785582 2.973991 8.939928 8.137538 9.613330 8.807666 9.310656 9.978197 0.000000 3.159861 4.424831 2.748619 6.208947 6.677583 5.269801 6.970363 6.197488 7.806402 4.152659 8.879202 2.205329 9.251573 10.053471 1.091396 3.247087 3.232907 2.161364 4.614369 4.594369 5.230406 5.007590 6.791863 5.348445 7.967100 7.204829 6.599100 5.690818 5.982906 7.257608 7.907043 2.389384 9.553222 8.574671 10.196937 9.984629 10.337999 10.955628 1.768156 0.000000 2.767157 3.088084 5.512514 5.110631 4.296538 3.686079 6.242820 5.788376 4.828264 2.892801 5.300608 2.878859 5.417218 6.300706 4.195064 2.133164 3.273636 4.351632 1.095382 3.982439 4.740434 4.900044 4.177166 3.825547 7.085508 6.125000 6.694770 6.197584 5.337012 6.717127 5.241608 3.279873 5.262948 4.999884 6.499327 6.531827 6.179011 7.273104 4.565437 5.048168 0.000000 3.432130 3.070104 5.452553 5.903977 5.233562 4.665703 7.224486 6.166119 6.050321 3.463479 6.467009 2.883183 6.253094 7.624949 4.234263 2.125489 3.233624 4.321826 1.095535 3.902706 4.116572 3.824373 4.813993 5.079815 8.023104 7.328650 7.583948 6.498258 5.461647 7.096297 6.628002 2.764453 6.096628 5.598867 7.259586 7.993886 7.518667 8.501990 4.961789 4.810921 1.756116 0.000000 4.038222 4.460582 5.130457 6.840760 6.061740 5.410358 7.975489 7.405290 6.558849 4.446858 6.911248 3.532005 6.891345 7.805667 4.561081 2.150186 2.728738 4.145462 1.090210 2.810925 3.249092 3.530438 5.858272 5.492982 8.844516 7.844303 8.356141 7.730193 6.858664 8.359612 6.953992 3.893616 6.551639 6.478940 7.957076 8.061414 7.518731 8.781441 5.153616 5.370356 1.777352 1.776248 0.000000 4.946510 6.160810 3.930871 8.265834 7.710360 6.750188 9.160656 8.936011 8.128634 5.854642 8.635775 4.231462 8.885288 9.357320 4.506002 2.807821 2.138548 3.415424 2.991792 1.096583 2.128774 3.214819 7.740283 6.525613 10.148611 8.888917 9.362630 9.056926 8.548970 9.967622 8.261992 4.913307 8.564373 8.573251 9.976756 9.392218 9.052465 10.410478 4.971514 5.364671 3.616908 3.840842 2.349706 0.000000 5.374000 6.891334 2.658918 8.937519 8.649236 7.468439 9.720789 9.517683 9.194389 6.514204 9.877914 4.455269 10.235166 10.643036 4.127554 3.381694 2.121412 2.687657 4.185822 1.095888 2.126778 3.251980 8.762590 7.178068 10.770664 9.482182 9.730498 9.439492 9.201662 10.595580 9.225671 5.175301 10.031015 9.864872 11.328428 10.572880 10.443611 11.709356 4.557626 4.829776 4.879458 4.951200 3.837408 1.748707 0.000000 6.788052 7.667147 4.514878 10.233135 9.740482 8.787259 11.257976 10.646469 10.328292 7.650590 10.791220 5.677422 10.823129 11.614832 5.740804 4.381217 3.497952 4.429005 4.614790 2.194735 1.088603 2.090110 9.594649 8.726022 12.239234 11.121900 11.384883 10.686944 10.103704 11.689202 10.578136 6.031160 10.453773 10.377938 11.885846 11.752958 11.278442 12.629532 6.473098 6.247488 5.551578 5.004559 3.932110 2.522080 2.477176 0.000000 6.807810 7.095003 5.044869 10.056347 9.656606 8.786531 11.266100 10.129693 10.506282 7.432149 10.972065 5.490448 10.761782 12.027107 5.723526 4.516078 4.043657 4.784589 4.699196 3.519853 2.106331 1.085260 9.296558 9.006391 12.177506 11.361169 11.359260 10.136674 9.415107 11.128634 10.943375 5.391110 10.481898 10.110207 11.756460 12.311977 11.795782 12.955443 6.712058 5.892262 5.788799 4.556255 4.346263 4.110214 4.137114 2.419503 0.000000 5.042076 5.395836 3.886081 8.310010 8.032502 7.073688 9.497844 8.364265 8.977175 5.687841 9.573252 3.683244 9.464769 10.704774 3.997178 2.908245 2.657629 3.320020 3.374341 2.829389 2.120115 1.085779 7.728778 7.321264 10.419209 9.636869 9.547345 8.324374 7.699964 9.385656 9.389034 3.555405 9.328468 8.773207 10.468090 10.940991 10.601754 11.632550 5.026950 4.178750 4.450655 3.235183 3.406592 3.555635 3.619664 3.074294 1.848971 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:.4497,-.9836,-.2835;-.55,-.557,1.7023;4.9287,-1.513,-1.3032;-3.0918,-1.6722,.1823;-3.1397,-.1655,.2362;-1.8722,-.8638,-.2833;-3.8386,-2.42,-.9072;-3.0408,-2.4311,1.4943;-3.9388,.6649,-.691;-.6325,-.7802,.509;-4.5752,1.8114,-.4011;1.7776,-.9123,.3077;-4.5927,2.4735,.9518;-5.3545,2.5495,-1.4603;2.7057,-1.9096,-.3818;2.3948,.4485,.055;3.5921,.3448,-.56;3.8949,-1.0721,-.8177;1.7065,1.685,.5106;4.5476,1.4407,-.9196;5.4395,1.91,.2067;5.3929,1.5128,1.4766;-3.0096,.2289,1.2373;-1.713,-.8501,-1.3544;-4.8895,-2.5448,-.6249;-3.8066,-1.9102,-1.8712;-3.4065,-3.4169,-1.0411;-2.518,-3.3854,1.3684;-2.5399,-1.8694,2.2824;-4.0609,-2.6503,1.8268;-4.0059,.299,-1.7124;1.6873,-1.0954,1.3793;-4.196,3.4934,.8794;-4.0173,1.9419,1.71;-5.6236,2.5672,1.3144;-5.3233,2.0399,-2.4265;-4.9616,3.565,-1.5945;-6.4051,2.6597,-1.1641;2.2297,-2.3398,-1.2668;3.0258,-2.7298,.2631;.7036,1.7485,.0747;1.5732,1.6581,1.5977;2.2617,2.5859,.2485;3.9984,2.3062,-1.3093;5.1851,1.0969,-1.742;6.1787,2.6522,-.0896;6.0803,1.9162,2.2131;4.6772,.7755,1.8274; 0.4793783 0.1196819 0.1067683 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= 1.61D-06 NBF= 640 NBsUse= 639 1.00D-06 EigRej= 6.11D-07 NBFU= 639 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= 655 655 655 655 655 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -965.648557240082 -965.648557240 1 9.613126676954e+02 -5.793964188197e+03 2.093618807199e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414688210 LenY= 1414249304 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. PT874.600S 2024-10-10T05:13:49.000 -19.17477 -19.11820 -19.11811 -10.31126 -10.26408 -10.24350 -10.20736 -10.19913 -10.18765 -10.18576 -10.18494 -10.17857 -10.17829 -10.17823 -10.17667 -10.16962 -10.16200 -10.15964 -10.15823 -10.15696 -10.15658 -10.15527 -1.11295 -1.04793 -1.02882 -0.88507 -0.87200 -0.80729 -0.80278 -0.76249 -0.74566 -0.73323 -0.70991 -0.69093 -0.68730 -0.68078 -0.67212 -0.63065 -0.57979 -0.56663 -0.56152 -0.55535 -0.53587 -0.51596 -0.49945 -0.49027 -0.47911 -0.47428 -0.46919 -0.46487 -0.45286 -0.45201 -0.44099 -0.43051 -0.42837 -0.42372 -0.42031 -0.41515 -0.40701 -0.39872 -0.39772 -0.39151 -0.38935 -0.38248 -0.38062 -0.37967 -0.37609 -0.37279 -0.36715 -0.36352 -0.35679 -0.35210 -0.34917 -0.32781 -0.32051 -0.31266 -0.29431 -0.28175 -0.27025 -0.26583 -0.26006 -0.22761 -0.06023 -0.01602 0.00088 0.00353 0.01092 0.01546 0.01720 0.02147 0.02426 0.02953 0.03099 0.03504 0.04125 0.04277 0.04676 0.05058 0.05221 0.05654 0.05813 0.05980 0.06458 0.06751 0.07009 0.07192 0.07316 0.07827 0.08153 0.08408 0.08821 0.09200 0.09392 0.09719 0.09892 0.10528 0.10581 0.10817 0.11067 0.11638 0.11900 0.12470 0.12696 0.12787 0.13096 0.13332 0.13660 0.13840 0.14236 0.14358 0.14573 0.14965 0.15271 0.15501 0.15821 0.16063 0.16473 0.16922 0.17127 0.17615 0.17717 0.18201 0.18283 0.18714 0.19087 0.19455 0.19596 0.19709 0.19786 0.20089 0.20412 0.20633 0.20831 0.21201 0.21335 0.21586 0.21790 0.22106 0.22523 0.22783 0.22824 0.23257 0.23378 0.23692 0.23954 0.24266 0.24416 0.24710 0.24774 0.24991 0.25174 0.25340 0.25930 0.25980 0.26303 0.26564 0.26883 0.27317 0.27547 0.28123 0.28402 0.28548 0.28658 0.28903 0.29345 0.29687 0.29861 0.29929 0.30427 0.30747 0.31116 0.31302 0.31984 0.32225 0.32892 0.33136 0.33371 0.33712 0.34657 0.35375 0.35725 0.35908 0.36181 0.36252 0.37406 0.37436 0.37868 0.38323 0.39038 0.39425 0.40098 0.40242 0.40928 0.41709 0.42786 0.43046 0.43445 0.44171 0.44318 0.45184 0.45441 0.46212 0.46276 0.47338 0.47871 0.48653 0.48973 0.49799 0.50864 0.51119 0.52256 0.52420 0.52723 0.53473 0.54550 0.55130 0.55805 0.56237 0.56609 0.57038 0.57473 0.58214 0.58592 0.58811 0.59728 0.60324 0.61143 0.61661 0.61935 0.62365 0.62510 0.62906 0.63709 0.63897 0.64118 0.65149 0.65663 0.65729 0.66208 0.66775 0.67004 0.67086 0.67465 0.67656 0.68544 0.68732 0.69085 0.69427 0.69761 0.70323 0.70402 0.70895 0.71261 0.72107 0.72432 0.72657 0.73284 0.73588 0.73714 0.74298 0.74414 0.74751 0.75438 0.75858 0.76485 0.77202 0.77665 0.78175 0.78335 0.78937 0.79105 0.79482 0.80501 0.81615 0.82097 0.82926 0.83255 0.84314 0.84858 0.85507 0.85765 0.88102 0.88719 0.89468 0.90786 0.91314 0.92375 0.93092 0.93757 0.94165 0.95060 0.96087 0.98531 0.99671 1.00733 1.00963 1.01769 1.03092 1.04441 1.05725 1.06775 1.08651 1.09008 1.09481 1.10551 1.11353 1.11685 1.13106 1.14454 1.15454 1.16044 1.17088 1.18364 1.18510 1.20164 1.21993 1.22140 1.23453 1.24612 1.27095 1.28118 1.28561 1.29644 1.31042 1.32371 1.33143 1.35355 1.36182 1.36439 1.37956 1.38170 1.40396 1.40820 1.41357 1.42274 1.43468 1.43974 1.44456 1.45449 1.46210 1.46468 1.47128 1.47172 1.47555 1.47853 1.49510 1.50326 1.50491 1.51175 1.51434 1.51925 1.52658 1.53919 1.55000 1.55871 1.56060 1.57009 1.57424 1.58610 1.58873 1.59399 1.60430 1.60828 1.61055 1.61370 1.62227 1.63071 1.63512 1.64214 1.64885 1.65588 1.66197 1.66701 1.66884 1.67943 1.68999 1.69069 1.69695 1.69969 1.70919 1.71080 1.71316 1.72024 1.72578 1.73182 1.73383 1.74306 1.75447 1.75718 1.76484 1.77483 1.78310 1.79016 1.79931 1.81095 1.81960 1.82782 1.83486 1.84423 1.85326 1.85785 1.86630 1.87617 1.88240 1.89839 1.89982 1.90469 1.91807 1.92398 1.93318 1.95077 1.96163 1.96526 1.97532 1.98142 2.00088 2.01100 2.01545 2.03337 2.04282 2.04648 2.06174 2.06559 2.07451 2.09215 2.09990 2.10347 2.11324 2.12267 2.12875 2.14176 2.14510 2.15778 2.16687 2.18164 2.18190 2.18902 2.19384 2.20904 2.21819 2.23153 2.23244 2.24547 2.26651 2.28741 2.29912 2.31400 2.32282 2.33092 2.34644 2.36792 2.38005 2.39009 2.40247 2.41731 2.43045 2.44251 2.45253 2.45821 2.47431 2.47605 2.48053 2.48889 2.49930 2.50895 2.51831 2.52218 2.53241 2.54164 2.54376 2.54894 2.55068 2.55742 2.56507 2.56546 2.56957 2.58818 2.58948 2.60013 2.60903 2.61523 2.62663 2.63428 2.63665 2.64643 2.65981 2.66726 2.67113 2.68105 2.69103 2.69818 2.70136 2.72884 2.73408 2.73957 2.74326 2.75305 2.75891 2.75967 2.77851 2.78609 2.79617 2.81090 2.82660 2.83627 2.84735 2.85828 2.86469 2.87437 2.87697 2.88716 2.88981 2.89530 2.90649 2.91516 2.92308 2.93785 2.94875 2.95096 2.96768 2.97329 2.99138 2.99707 3.01116 3.05013 3.05485 3.07523 3.08770 3.09024 3.10930 3.11251 3.12905 3.14685 3.15609 3.16414 3.19292 3.20983 3.21409 3.22556 3.23425 3.25450 3.26723 3.28409 3.31091 3.34397 3.36060 3.36276 3.37845 3.45877 3.50335 3.52973 3.55234 3.58368 3.61946 3.65448 3.66910 3.68905 3.70261 3.76167 3.76744 3.78143 3.80015 3.81240 3.81903 3.82900 3.83416 3.83994 3.84390 3.85221 3.85536 3.86727 3.88916 3.92679 3.98994 4.05219 4.09746 4.15330 4.17120 4.21008 4.26538 4.28036 4.30178 4.31233 4.40768 4.45124 4.53600 4.57333 4.59657 5.07600 5.10411 5.13793 5.21874 5.30080 5.39027 5.66299 5.73999 5.90914 23.65072 23.69860 23.77554 23.80872 23.83206 23.86061 23.88806 23.88930 23.90608 23.94042 23.95182 23.97426 23.99323 23.99647 23.99813 24.02518 24.20026 24.24724 24.27439 49.92974 50.02254 50.02897 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 0.149558 -0.315441 -0.419462 0.340902 0.642557 0.053101 -0.580682 -0.580324 -0.310378 -0.618969 0.201867 -0.717955 -0.789185 -0.642145 -0.402314 0.663032 1.215974 -0.311711 -0.621814 -0.945356 0.049516 -0.510195 0.163475 0.181614 0.159715 0.149180 0.161152 0.156073 0.158994 0.158953 0.130912 0.230539 0.160920 0.151714 0.163281 0.148451 0.156501 0.158311 0.227170 0.219570 0.192791 0.201131 0.175427 0.189419 0.186334 0.160636 0.156262 0.150899 -0.00000 -5.3138 2.5906 -0.1357 5.9132 -153.4087 -127.4661 -138.8371 14.7527 12.0953 -4.1252 -13.5047 12.4379 1.0668 14.7527 12.0953 -4.1252 -218.5089 -3.5492 -8.0523 -17.7701 105.0212 52.1724 -7.8127 4.5708 3.9198 -31.5005 -11991.8204 -2347.0354 -941.9043 468.3923 251.6404 3.2839 -29.0922 33.5445 8.1142 -2180.4911 -2007.8839 -568.0917 -138.0004 8.9742 31.3571 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-HAMILTON26 APULGAR 2024-10-10T00:00:00.000 0 Wavefunction BioallethrinCONF147 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-965.6485572 RMSD=1.622e-09 Dipole=2.1773146,0.2556221,-0.7785767 Quadrupole=-11.6213393,2.694746,8.9265933,6.4408983,11.2932482,-4.901755 PG=C01 [X(C19H26O3)] 0 -0.434318168 -0.0019881331 0.9593020808 0 0.5696153027 -1.8222145022 0.0627290764 0 -4.9266840939 1.0102225151 1.378578878 0 3.0195731218 -0.7941206805 1.7820159777 0 3.2072212708 -0.4155488337 0.3339238344 0 1.8882644827 -0.0653875466 1.0424200292 0 3.710128912 0.002678798 2.8738392121 0 2.8771997508 -2.2653700493 2.121415171 0 4.0948883116 0.6764480167 -0.1214176545 0 0.6495567931 -0.7475703188 0.6280076596 0 4.8311454843 0.7011710312 -1.2443381697 0 -1.7588435805 -0.4915807122 0.607370409 0 4.8892812135 -0.404504867 -2.2657114974 0 5.6925621201 1.8938422597 -1.5752202279 0 -2.7652024955 -0.0787861183 1.6788813612 0 -2.2420317353 0.1664922631 -0.6693858332 0 -3.4340302528 0.7757067142 -0.4942142985 0 -3.8639137107 0.6286065306 0.9055326207 0 -1.4483960101 0.0562016666 -1.9215919831 0 -4.2771421259 1.474325829 -1.5161868508 0 -5.1387294825 0.568489718 -2.3654509554 0 -5.1494479698 -0.7627650423 -2.3504123607 0 3.0989046003 -1.2550356806 -0.3428950972 0 1.7478623895 0.9703257654 1.3258181278 0 4.74016553 -0.3473743337 3.0003680912 0 3.7410865235 1.0728842003 2.6641540165 0 3.188892722 -0.1369874836 3.8262873499 0 2.2695035616 -2.3966458963 3.0232780279 0 2.4187484594 -2.8373957388 1.315194069 0 3.8670048408 -2.6892635432 2.3208362052 0 4.1435333584 1.5461809149 0.5288411659 0 -1.7028528153 -1.573513621 0.4793770359 0 4.5908633885 -0.0259297942 -3.250856669 0 4.2548595745 -1.2584470899 -2.0273108071 0 5.9186131242 -0.7679662918 -2.3724331772 0 5.6289972186 2.6736588409 -0.8123250489 0 5.3984225167 2.3301116939 -2.5378942372 0 6.7440138996 1.5978440083 -1.676719241 0 -2.3176627261 0.624763782 2.3857364496 0 -3.1707005431 -0.9177865247 2.2470309441 0 -0.4372493087 0.4495175272 -1.7707698773 0 -1.3352779243 -0.9974974229 -2.1992972345 0 -1.9127558845 0.5887852619 -2.7518229247 0 -3.6433662574 2.0724357005 -2.1818344733 0 -4.9310458283 2.1895500144 -1.0044894086 0 -5.8005904214 1.0960065561 -3.0500841765 0 -5.8075942024 -1.3230968907 -3.0066596601 0 -4.5114111349 -1.3400959317 -1.6882076421 Gaussian 16 10-Oct-2024 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:-.4343,-.002,.9593;.5696,-1.8222,.0627;-4.9267,1.0102,1.3786;3.0196,-.7941,1.782;3.2072,-.4155,.3339;1.8883,-.0654,1.0424;3.7101,.0027,2.8738;2.8772,-2.2654,2.1214;4.0949,.6764,-.1214;.6496,-.7476,.628;4.8311,.7012,-1.2443;-1.7588,-.4916,.6074;4.8893,-.4045,-2.2657;5.6926,1.8938,-1.5752;-2.7652,-.0788,1.6789;-2.242,.1665,-.6694;-3.434,.7757,-.4942;-3.8639,.6286,.9055;-1.4484,.0562,-1.9216;-4.2771,1.4743,-1.5162;-5.1387,.5685,-2.3655;-5.1494,-.7628,-2.3504;3.0989,-1.255,-.3429;1.7479,.9703,1.3258;4.7402,-.3474,3.0004;3.7411,1.0729,2.6642;3.1889,-.137,3.8263;2.2695,-2.3966,3.0233;2.4187,-2.8374,1.3152;3.867,-2.6893,2.3208;4.1435,1.5462,.5288;-1.7029,-1.5735,.4794;4.5909,-.0259,-3.2509;4.2549,-1.2584,-2.0273;5.9186,-.768,-2.3724;5.629,2.6737,-.8123;5.3984,2.3301,-2.5379;6.744,1.5978,-1.6767;-2.3177,.6248,2.3857;-3.1707,-.9178,2.247;-.4372,.4495,-1.7708;-1.3353,-.9975,-2.1993;-1.9128,.5888,-2.7518;-3.6434,2.0724,-2.1818;-4.931,2.1896,-1.0045;-5.8006,1.096,-3.0501;-5.8076,-1.3231,-3.0067;-4.5114,-1.3401,-1.6882; 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 Bioallethrin CONF147 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 1773.4311813410 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 -0.0482748527 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 2.263835 0.000000 4.624037 6.321666 0.000000 3.637815 3.164683 8.158518 0.000000 3.717921 3.001536 8.323734 1.508476 0.000000 2.324934 2.405217 6.907493 1.535550 1.537604 0.000000 4.565295 4.592973 8.823009 1.517839 2.622785 2.584167 0.000000 4.176069 3.124023 8.495994 1.516587 2.593430 2.642375 2.530604 0.000000 4.705523 4.324902 9.151512 2.634755 1.479103 2.602696 3.094118 3.894529 0.000000 1.356626 1.216877 5.894714 2.636452 2.595837 1.473604 3.869591 3.081619 3.802601 0.000000 5.751136 5.122162 10.108929 3.830993 2.524897 3.804921 4.324807 4.893523 1.342995 4.805228 0.000000 1.455309 2.736593 3.589622 4.929968 4.974169 3.697608 5.940609 5.189562 6.013452 2.422055 6.948341 0.000000 6.237262 5.107940 10.565769 4.475679 3.096377 4.479379 5.288779 5.172830 2.529331 5.144567 1.506354 7.242910 0.000000 6.896132 6.537319 11.057762 5.063699 3.892947 5.016304 5.225004 6.236219 2.479547 6.104357 1.507974 8.122647 2.530699 0.000000 2.440638 4.095424 2.438878 5.829749 6.131245 4.696809 6.585171 6.067428 7.132482 3.634857 8.176677 1.526857 8.617252 9.274385 0.000000 2.439024 3.520839 3.480431 5.883590 5.571334 4.476985 6.928888 6.317361 6.380978 3.298488 7.116621 1.515466 7.330069 8.170805 2.418311 0.000000 3.422834 4.805055 2.406318 7.021010 6.797876 5.603169 7.936017 7.478054 7.538796 4.500604 8.299480 2.371868 8.591194 9.258158 2.428957 1.350070 0.000000 3.487501 5.135467 1.224289 7.083415 7.170631 5.795509 7.850614 7.436134 8.024926 4.726764 8.957191 2.403131 9.367098 9.953953 1.518433 2.307470 1.471642 0.000000 3.054716 3.396814 4.888739 5.865365 5.194677 4.464690 7.043394 6.359747 5.861172 3.398222 6.348803 2.606165 6.363711 7.381746 3.836093 1.486621 2.549086 3.762314 0.000000 4.803628 6.070520 3.002826 8.322622 7.937898 6.850505 9.232257 8.854495 8.524839 5.814358 9.145085 3.836158 9.386965 9.978701 3.860904 2.563040 1.497776 2.598216 3.190178 0.000000 5.788861 6.648062 3.775957 9.252896 8.826656 7.835434 10.299155 9.613420 9.503002 6.648087 10.033589 4.624397 10.075597 10.940654 4.733838 3.380695 2.539777 3.511140 3.752068 1.511331 0.000000 5.810804 6.297092 4.135031 9.154827 8.784085 7.843918 10.313623 9.310324 9.617562 6.519177 10.147845 4.507573 10.045477 11.189623 4.731560 3.484600 2.958889 3.766921 3.814758 2.541933 1.331383 0.000000 3.968565 2.623648 8.514983 2.175772 1.083769 2.190893 3.507538 2.672593 2.184414 2.683184 2.764055 5.008352 2.761535 4.261586 6.313390 5.536510 6.842956 7.320350 4.988945 7.951861 8.676093 8.503398 0.000000 2.416949 3.283587 6.674874 2.222304 2.243709 1.082926 2.680149 3.518253 2.772974 2.155083 4.023031 3.866565 4.965658 4.982927 4.646832 4.532796 5.495672 5.637858 4.647296 6.680695 7.823815 8.005696 3.092273 0.000000 5.573197 5.310213 9.895517 2.155088 3.076441 3.470795 1.095227 2.814588 3.348155 4.745664 4.373243 6.927074 5.268500 5.183254 7.625550 7.904570 8.960519 8.909043 7.917503 10.248400 11.279335 11.252016 3.833405 3.673463 0.000000 4.636364 5.020681 8.762812 2.187340 2.816100 2.712680 1.090993 3.490674 2.835797 4.125228 4.074642 6.076771 5.273007 4.738620 6.680487 6.908816 7.845120 7.818322 6.999531 9.051431 10.217753 10.370973 3.856676 2.403040 1.768709 0.000000 4.622282 4.885179 8.553944 2.153959 3.503503 3.073545 1.094692 2.744768 4.131208 4.129168 5.395438 5.913312 6.330508 6.290383 6.329770 7.056778 7.960079 7.671963 7.387820 9.320946 10.401183 10.395727 4.317431 3.091126 1.769987 1.766143 0.000000 4.159932 3.461855 8.130000 2.161347 3.469393 3.082841 2.802587 1.095392 4.760782 3.328813 5.862681 5.068872 6.229388 7.160433 5.703345 6.368626 7.413965 7.159316 6.655147 8.857185 9.628725 9.305211 3.649973 3.806570 3.210017 3.785785 2.568298 0.000000 4.038092 2.453274 8.292380 2.180341 2.729455 2.835463 3.487558 1.089671 4.149746 2.823054 4.989220 4.843154 4.984513 6.438708 5.883498 5.889378 7.112207 7.186991 5.814163 8.452373 9.069877 8.661314 2.390760 3.866386 3.798552 4.342644 3.767083 1.770335 0.000000 5.251343 4.089450 9.586606 2.144769 3.090779 3.526257 2.752631 1.095066 4.164679 4.121627 5.013490 6.278212 5.225092 6.286237 7.156317 7.376794 8.557783 8.531029 7.334116 9.918939 10.661965 10.335782 3.121290 4.344355 2.590100 3.779878 3.039791 1.769480 1.769380 0.000000 4.851685 4.933177 9.125686 2.882836 2.182443 2.819070 2.840643 4.320627 1.087032 4.180790 2.081110 6.244733 3.488673 2.635798 7.189836 6.641892 7.685034 8.068646 6.284452 8.665742 9.772063 9.999042 3.114159 2.589599 3.170168 2.223856 3.823290 5.027931 4.775875 4.607245 0.000000 2.075861 2.323695 4.228161 4.960406 5.046867 3.935427 6.125210 4.914452 6.247966 2.497620 7.130113 1.090915 7.235905 8.422356 2.191257 2.153599 3.076311 3.114663 2.912966 4.460781 4.948381 4.532553 4.882052 4.369785 7.026471 6.435305 6.098737 4.788381 4.391308 5.971531 6.626852 0.000000 6.555796 5.511527 10.634331 5.328121 3.862243 5.073246 6.187763 6.067375 3.245414 5.576760 2.147680 7.444563 1.096760 2.776152 8.855327 7.306810 8.522946 9.443900 6.184363 9.159769 9.787863 9.809556 3.491831 5.479154 6.261264 6.075925 7.215527 7.097448 5.785434 6.217803 4.117979 7.478003 0.000000 5.699731 4.274006 10.052248 4.031439 2.717251 4.055541 5.090034 4.485952 2.720632 4.506653 2.187523 6.610163 1.090203 3.494038 8.025505 6.788520 8.099827 8.836120 5.853768 8.973536 9.575571 9.422903 2.042915 4.742988 5.132556 5.263925 6.054632 5.544870 4.127556 4.593914 3.796346 6.471251 1.768915 0.000000 7.214355 5.971033 11.612602 5.066021 3.847104 5.329029 5.744099 5.629128 3.237186 6.063499 2.147917 8.240083 1.096822 2.787808 9.607121 8.388665 9.663466 10.411211 7.426664 10.474467 11.137818 11.068084 3.508136 5.838997 5.516578 5.787708 6.802473 6.714335 5.489097 5.470581 4.113828 8.177314 1.756464 1.768547 0.000000 6.860142 6.824657 10.908230 5.056204 4.089265 4.993549 4.940040 6.369712 2.611454 6.210813 2.171154 8.161769 3.483476 1.092778 9.178489 8.261925 9.265090 9.861472 7.626995 10.003270 11.080969 11.417075 4.696421 4.747232 4.945027 4.267621 5.947316 7.190691 6.723374 6.456179 2.297071 8.571056 3.783112 4.338883 3.789802 0.000000 7.189571 6.879130 11.121542 5.837926 4.537329 5.556822 6.128143 7.013143 3.205178 6.484349 2.156047 8.311504 2.794895 1.097083 9.498882 8.157764 9.198099 10.027122 7.240816 9.766924 10.684785 10.993571 4.791564 5.486700 6.186646 5.602561 7.174358 7.940970 7.101259 7.151687 3.405020 8.646984 2.590637 3.800814 3.145801 1.774480 0.000000 7.812587 7.269503 12.078300 5.617455 4.539310 5.808473 5.697069 6.656012 3.207148 6.924965 2.156395 9.048831 2.792194 1.097027 10.222345 9.154917 10.279436 10.960637 8.339796 11.023017 11.947113 12.144166 4.817139 5.862639 5.447424 5.304370 6.777286 7.620182 6.879740 6.529695 3.410229 9.276627 3.122596 3.804892 2.600454 1.774209 1.757400 0.000000 2.444283 4.440770 2.823108 5.555520 5.984691 4.468851 6.079433 5.950574 6.885441 3.711779 8.018026 2.172807 8.639178 9.025710 1.093123 3.090227 3.092439 2.140540 4.430797 4.448182 5.525881 5.689934 6.349668 4.215606 7.150928 6.081675 5.742613 5.529690 5.963740 7.016915 6.785582 2.973991 8.939928 8.137538 9.613330 8.807666 9.310656 9.978197 0.000000 3.159861 4.424831 2.748619 6.208947 6.677583 5.269801 6.970363 6.197488 7.806402 4.152659 8.879202 2.205329 9.251573 10.053471 1.091396 3.247087 3.232907 2.161364 4.614369 4.594369 5.230406 5.007590 6.791863 5.348445 7.967100 7.204829 6.599100 5.690818 5.982906 7.257608 7.907043 2.389384 9.553222 8.574671 10.196937 9.984629 10.337999 10.955628 1.768156 0.000000 2.767157 3.088084 5.512514 5.110631 4.296538 3.686079 6.242820 5.788376 4.828264 2.892801 5.300608 2.878859 5.417218 6.300706 4.195064 2.133164 3.273636 4.351632 1.095382 3.982439 4.740434 4.900044 4.177166 3.825547 7.085508 6.125000 6.694770 6.197584 5.337012 6.717127 5.241608 3.279873 5.262948 4.999884 6.499327 6.531827 6.179011 7.273104 4.565437 5.048168 0.000000 3.432130 3.070104 5.452553 5.903977 5.233562 4.665703 7.224486 6.166119 6.050321 3.463479 6.467009 2.883183 6.253094 7.624949 4.234263 2.125489 3.233624 4.321826 1.095535 3.902706 4.116572 3.824373 4.813993 5.079815 8.023104 7.328650 7.583948 6.498258 5.461647 7.096297 6.628002 2.764453 6.096628 5.598867 7.259586 7.993886 7.518667 8.501990 4.961789 4.810921 1.756116 0.000000 4.038222 4.460582 5.130457 6.840760 6.061740 5.410358 7.975489 7.405290 6.558849 4.446858 6.911248 3.532005 6.891345 7.805667 4.561081 2.150186 2.728738 4.145462 1.090210 2.810925 3.249092 3.530438 5.858272 5.492982 8.844516 7.844303 8.356141 7.730193 6.858664 8.359612 6.953992 3.893616 6.551639 6.478940 7.957076 8.061414 7.518731 8.781441 5.153616 5.370356 1.777352 1.776248 0.000000 4.946510 6.160810 3.930871 8.265834 7.710360 6.750188 9.160656 8.936011 8.128634 5.854642 8.635775 4.231462 8.885288 9.357320 4.506002 2.807821 2.138548 3.415424 2.991792 1.096583 2.128774 3.214819 7.740283 6.525613 10.148611 8.888917 9.362630 9.056926 8.548970 9.967622 8.261992 4.913307 8.564373 8.573251 9.976756 9.392218 9.052465 10.410478 4.971514 5.364671 3.616908 3.840842 2.349706 0.000000 5.374000 6.891334 2.658918 8.937519 8.649236 7.468439 9.720789 9.517683 9.194389 6.514204 9.877914 4.455269 10.235166 10.643036 4.127554 3.381694 2.121412 2.687657 4.185822 1.095888 2.126778 3.251980 8.762590 7.178068 10.770664 9.482182 9.730498 9.439492 9.201662 10.595580 9.225671 5.175301 10.031015 9.864872 11.328428 10.572880 10.443611 11.709356 4.557626 4.829776 4.879458 4.951200 3.837408 1.748707 0.000000 6.788052 7.667147 4.514878 10.233135 9.740482 8.787259 11.257976 10.646469 10.328292 7.650590 10.791220 5.677422 10.823129 11.614832 5.740804 4.381217 3.497952 4.429005 4.614790 2.194735 1.088603 2.090110 9.594649 8.726022 12.239234 11.121900 11.384883 10.686944 10.103704 11.689202 10.578136 6.031160 10.453773 10.377938 11.885846 11.752958 11.278442 12.629532 6.473098 6.247488 5.551578 5.004559 3.932110 2.522080 2.477176 0.000000 6.807810 7.095003 5.044869 10.056347 9.656606 8.786531 11.266100 10.129693 10.506282 7.432149 10.972065 5.490448 10.761782 12.027107 5.723526 4.516078 4.043657 4.784589 4.699196 3.519853 2.106331 1.085260 9.296558 9.006391 12.177506 11.361169 11.359260 10.136674 9.415107 11.128634 10.943375 5.391110 10.481898 10.110207 11.756460 12.311977 11.795782 12.955443 6.712058 5.892262 5.788799 4.556255 4.346263 4.110214 4.137114 2.419503 0.000000 5.042076 5.395836 3.886081 8.310010 8.032502 7.073688 9.497844 8.364265 8.977175 5.687841 9.573252 3.683244 9.464769 10.704774 3.997178 2.908245 2.657629 3.320020 3.374341 2.829389 2.120115 1.085779 7.728778 7.321264 10.419209 9.636869 9.547345 8.324374 7.699964 9.385656 9.389034 3.555405 9.328468 8.773207 10.468090 10.940991 10.601754 11.632550 5.026950 4.178750 4.450655 3.235183 3.406592 3.555635 3.619664 3.074294 1.848971 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:.4497,-.9836,-.2835;-.55,-.557,1.7023;4.9287,-1.513,-1.3032;-3.0918,-1.6722,.1823;-3.1397,-.1655,.2362;-1.8722,-.8638,-.2833;-3.8386,-2.42,-.9072;-3.0408,-2.4311,1.4943;-3.9388,.6649,-.691;-.6325,-.7802,.509;-4.5752,1.8114,-.4011;1.7776,-.9123,.3077;-4.5927,2.4735,.9518;-5.3545,2.5495,-1.4603;2.7057,-1.9096,-.3818;2.3948,.4485,.055;3.5921,.3448,-.56;3.8949,-1.0721,-.8177;1.7065,1.685,.5106;4.5476,1.4407,-.9196;5.4395,1.91,.2067;5.3929,1.5128,1.4766;-3.0096,.2289,1.2373;-1.713,-.8501,-1.3544;-4.8895,-2.5448,-.6249;-3.8066,-1.9102,-1.8712;-3.4065,-3.4169,-1.0411;-2.518,-3.3854,1.3684;-2.5399,-1.8694,2.2824;-4.0609,-2.6503,1.8268;-4.0059,.299,-1.7124;1.6873,-1.0954,1.3793;-4.196,3.4934,.8794;-4.0173,1.9419,1.71;-5.6236,2.5672,1.3144;-5.3233,2.0399,-2.4265;-4.9616,3.565,-1.5945;-6.4051,2.6597,-1.1641;2.2297,-2.3398,-1.2668;3.0258,-2.7298,.2631;.7036,1.7485,.0747;1.5732,1.6581,1.5977;2.2617,2.5859,.2485;3.9984,2.3062,-1.3093;5.1851,1.0969,-1.742;6.1787,2.6522,-.0896;6.0803,1.9162,2.2131;4.6772,.7755,1.8274; 0.4793783 0.1196819 0.1067683 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= 1.61D-06 NBF= 640 NBsUse= 639 1.00D-06 EigRej= 6.11D-07 NBFU= 639 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= 655 655 655 655 655 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -965.648557240080 -965.648557240 1 9.613126676953e+02 -5.793964188197e+03 2.093618807199e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414688210 LenY= 1414249304 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 1 Singlet-A 4.0245 308.07 0.0012 0.000 79 83 -0.19367 80 83 -0.32872 81 83 0.57553 -965.500659598 2 Singlet-A 4.1452 299.11 0.0236 0.000 82 83 0.70275 3 Singlet-A 4.7591 260.52 0.0051 0.000 80 83 0.61819 81 83 0.33449 4 Singlet-A 5.0725 244.42 0.2498 0.000 82 84 0.68940 5 Singlet-A 5.3184 233.12 0.3319 0.000 77 83 -0.12538 78 83 0.14876 79 83 0.63596 81 83 0.17414 6 Singlet-A 5.4249 228.55 0.1166 0.000 76 83 -0.16932 77 83 -0.19264 78 83 0.61654 79 83 -0.14691 81 83 -0.11758 7 Singlet-A 5.5573 223.10 0.0158 0.000 82 85 0.42887 82 86 0.44764 82 87 -0.29817 82 89 0.11839 8 Singlet-A 5.6760 218.43 0.0082 0.000 77 83 0.56850 77 84 -0.25652 78 83 0.24231 78 84 0.10594 79 84 0.13475 9 Singlet-A 5.8644 211.42 0.0360 0.000 76 83 0.36977 77 83 0.27293 77 84 0.34502 78 83 0.10574 78 84 -0.22225 79 84 -0.27133 10 Singlet-A 5.9159 209.58 0.0117 0.000 82 85 0.53140 82 86 -0.28260 82 87 0.29134 82 88 -0.16360 PT33255.800S 2024-10-10T07:32:59.000 -19.17477 -19.11820 -19.11811 -10.31126 -10.26408 -10.24350 -10.20736 -10.19913 -10.18765 -10.18576 -10.18494 -10.17857 -10.17829 -10.17823 -10.17667 -10.16962 -10.16200 -10.15964 -10.15823 -10.15696 -10.15658 -10.15527 -1.11295 -1.04793 -1.02882 -0.88507 -0.87200 -0.80729 -0.80278 -0.76249 -0.74566 -0.73323 -0.70991 -0.69093 -0.68730 -0.68078 -0.67212 -0.63065 -0.57979 -0.56663 -0.56152 -0.55535 -0.53587 -0.51596 -0.49945 -0.49027 -0.47911 -0.47428 -0.46919 -0.46487 -0.45286 -0.45201 -0.44099 -0.43051 -0.42837 -0.42372 -0.42031 -0.41515 -0.40701 -0.39872 -0.39772 -0.39151 -0.38935 -0.38248 -0.38062 -0.37967 -0.37609 -0.37279 -0.36715 -0.36352 -0.35679 -0.35210 -0.34917 -0.32781 -0.32051 -0.31266 -0.29431 -0.28175 -0.27025 -0.26583 -0.26006 -0.22761 -0.06023 -0.01602 0.00088 0.00353 0.01092 0.01546 0.01720 0.02147 0.02426 0.02953 0.03099 0.03504 0.04125 0.04277 0.04676 0.05058 0.05221 0.05654 0.05813 0.05980 0.06458 0.06751 0.07009 0.07192 0.07316 0.07827 0.08153 0.08408 0.08821 0.09200 0.09392 0.09719 0.09892 0.10528 0.10581 0.10817 0.11067 0.11638 0.11900 0.12470 0.12696 0.12787 0.13096 0.13332 0.13660 0.13840 0.14236 0.14358 0.14573 0.14965 0.15271 0.15501 0.15821 0.16063 0.16473 0.16922 0.17127 0.17615 0.17717 0.18201 0.18283 0.18714 0.19087 0.19455 0.19596 0.19709 0.19786 0.20089 0.20412 0.20633 0.20831 0.21201 0.21335 0.21586 0.21790 0.22106 0.22523 0.22783 0.22824 0.23257 0.23378 0.23692 0.23954 0.24266 0.24416 0.24710 0.24774 0.24991 0.25174 0.25340 0.25930 0.25980 0.26303 0.26564 0.26883 0.27317 0.27547 0.28123 0.28402 0.28548 0.28658 0.28903 0.29345 0.29687 0.29861 0.29929 0.30427 0.30747 0.31116 0.31302 0.31984 0.32225 0.32892 0.33136 0.33371 0.33712 0.34657 0.35375 0.35725 0.35908 0.36181 0.36252 0.37406 0.37436 0.37868 0.38323 0.39038 0.39425 0.40098 0.40242 0.40928 0.41709 0.42786 0.43046 0.43445 0.44171 0.44318 0.45184 0.45441 0.46212 0.46276 0.47338 0.47871 0.48653 0.48973 0.49799 0.50864 0.51119 0.52256 0.52420 0.52723 0.53473 0.54550 0.55130 0.55805 0.56237 0.56609 0.57038 0.57473 0.58214 0.58592 0.58811 0.59728 0.60324 0.61143 0.61661 0.61935 0.62365 0.62510 0.62906 0.63709 0.63897 0.64118 0.65149 0.65663 0.65729 0.66208 0.66775 0.67004 0.67086 0.67465 0.67656 0.68544 0.68732 0.69085 0.69427 0.69761 0.70323 0.70402 0.70895 0.71261 0.72107 0.72432 0.72657 0.73284 0.73588 0.73714 0.74298 0.74414 0.74751 0.75438 0.75858 0.76485 0.77202 0.77665 0.78175 0.78335 0.78937 0.79105 0.79482 0.80501 0.81615 0.82097 0.82926 0.83255 0.84314 0.84858 0.85507 0.85765 0.88102 0.88719 0.89468 0.90786 0.91314 0.92375 0.93092 0.93757 0.94165 0.95060 0.96087 0.98531 0.99671 1.00733 1.00963 1.01769 1.03092 1.04441 1.05725 1.06775 1.08651 1.09008 1.09481 1.10551 1.11353 1.11685 1.13106 1.14454 1.15454 1.16044 1.17088 1.18364 1.18510 1.20164 1.21993 1.22140 1.23453 1.24612 1.27095 1.28118 1.28561 1.29644 1.31042 1.32371 1.33143 1.35355 1.36182 1.36439 1.37956 1.38170 1.40396 1.40820 1.41357 1.42274 1.43468 1.43974 1.44456 1.45449 1.46210 1.46468 1.47128 1.47172 1.47555 1.47853 1.49510 1.50326 1.50491 1.51175 1.51434 1.51925 1.52658 1.53919 1.55000 1.55871 1.56060 1.57009 1.57424 1.58610 1.58873 1.59399 1.60430 1.60828 1.61055 1.61370 1.62227 1.63071 1.63512 1.64214 1.64885 1.65588 1.66197 1.66701 1.66884 1.67943 1.68999 1.69069 1.69695 1.69969 1.70919 1.71080 1.71316 1.72024 1.72578 1.73182 1.73383 1.74306 1.75447 1.75718 1.76484 1.77483 1.78310 1.79016 1.79931 1.81095 1.81960 1.82782 1.83486 1.84423 1.85326 1.85785 1.86630 1.87617 1.88240 1.89839 1.89982 1.90469 1.91807 1.92398 1.93318 1.95077 1.96163 1.96526 1.97532 1.98142 2.00088 2.01100 2.01545 2.03337 2.04282 2.04648 2.06174 2.06559 2.07451 2.09215 2.09990 2.10347 2.11324 2.12267 2.12875 2.14176 2.14510 2.15778 2.16687 2.18164 2.18190 2.18902 2.19384 2.20904 2.21819 2.23153 2.23244 2.24547 2.26651 2.28741 2.29912 2.31400 2.32282 2.33092 2.34644 2.36792 2.38005 2.39009 2.40247 2.41731 2.43045 2.44251 2.45253 2.45821 2.47431 2.47605 2.48053 2.48889 2.49930 2.50895 2.51831 2.52218 2.53241 2.54164 2.54376 2.54894 2.55068 2.55742 2.56507 2.56546 2.56957 2.58818 2.58948 2.60013 2.60903 2.61523 2.62663 2.63428 2.63665 2.64643 2.65981 2.66726 2.67113 2.68105 2.69103 2.69818 2.70136 2.72884 2.73408 2.73957 2.74326 2.75305 2.75891 2.75967 2.77851 2.78609 2.79617 2.81090 2.82660 2.83627 2.84735 2.85828 2.86469 2.87437 2.87697 2.88716 2.88981 2.89530 2.90649 2.91516 2.92308 2.93785 2.94875 2.95096 2.96768 2.97329 2.99138 2.99707 3.01116 3.05013 3.05485 3.07523 3.08770 3.09024 3.10930 3.11251 3.12905 3.14685 3.15609 3.16414 3.19292 3.20983 3.21409 3.22556 3.23425 3.25450 3.26723 3.28409 3.31091 3.34397 3.36060 3.36276 3.37845 3.45877 3.50335 3.52973 3.55234 3.58368 3.61946 3.65448 3.66910 3.68905 3.70261 3.76167 3.76744 3.78143 3.80015 3.81240 3.81903 3.82900 3.83416 3.83994 3.84390 3.85221 3.85536 3.86727 3.88916 3.92679 3.98994 4.05219 4.09746 4.15330 4.17120 4.21008 4.26538 4.28036 4.30178 4.31233 4.40768 4.45124 4.53600 4.57333 4.59657 5.07600 5.10411 5.13793 5.21874 5.30080 5.39027 5.66299 5.73999 5.90914 23.65072 23.69860 23.77554 23.80872 23.83206 23.86061 23.88806 23.88930 23.90608 23.94042 23.95182 23.97426 23.99323 23.99647 23.99813 24.02518 24.20026 24.24724 24.27439 49.92974 50.02254 50.02897 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 0.149558 -0.315441 -0.419462 0.340902 0.642557 0.053101 -0.580682 -0.580324 -0.310378 -0.618969 0.201867 -0.717955 -0.789185 -0.642145 -0.402314 0.663032 1.215974 -0.311711 -0.621814 -0.945356 0.049516 -0.510195 0.163475 0.181614 0.159715 0.149180 0.161152 0.156073 0.158994 0.158953 0.130912 0.230539 0.160920 0.151714 0.163281 0.148451 0.156501 0.158311 0.227170 0.219570 0.192791 0.201131 0.175427 0.189419 0.186334 0.160636 0.156262 0.150899 -0.00000 -5.3138 2.5906 -0.1357 5.9132 -153.4087 -127.4661 -138.8371 14.7527 12.0953 -4.1252 -13.5047 12.4379 1.0668 14.7527 12.0953 -4.1252 -218.5089 -3.5492 -8.0523 -17.7701 105.0212 52.1724 -7.8127 4.5708 3.9198 -31.5005 -11991.8204 -2347.0354 -941.9043 468.3923 251.6404 3.2839 -29.0922 33.5445 8.1142 -2180.4911 -2007.8839 -568.0917 -138.0004 8.9742 31.3571 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-HAMILTON26 APULGAR 2024-10-10T00:00:00.000 0 Electronic spectrum Bioallethrin CONF147 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-965.6485572 RMSD=2.189e-09 PG=C01[X(C19H26O3)] 0 -0.434318168 -0.0019881331 0.9593020808 0 0.5696153027 -1.8222145022 0.0627290764 0 -4.9266840939 1.0102225151 1.378578878 0 3.0195731218 -0.7941206805 1.7820159777 0 3.2072212708 -0.4155488337 0.3339238344 0 1.8882644827 -0.0653875466 1.0424200292 0 3.710128912 0.002678798 2.8738392121 0 2.8771997508 -2.2653700493 2.121415171 0 4.0948883116 0.6764480167 -0.1214176545 0 0.6495567931 -0.7475703188 0.6280076596 0 4.8311454843 0.7011710312 -1.2443381697 0 -1.7588435805 -0.4915807122 0.607370409 0 4.8892812135 -0.404504867 -2.2657114974 0 5.6925621201 1.8938422597 -1.5752202279 0 -2.7652024955 -0.0787861183 1.6788813612 0 -2.2420317353 0.1664922631 -0.6693858332 0 -3.4340302528 0.7757067142 -0.4942142985 0 -3.8639137107 0.6286065306 0.9055326207 0 -1.4483960101 0.0562016666 -1.9215919831 0 -4.2771421259 1.474325829 -1.5161868508 0 -5.1387294825 0.568489718 -2.3654509554 0 -5.1494479698 -0.7627650423 -2.3504123607 0 3.0989046003 -1.2550356806 -0.3428950972 0 1.7478623895 0.9703257654 1.3258181278 0 4.74016553 -0.3473743337 3.0003680912 0 3.7410865235 1.0728842003 2.6641540165 0 3.188892722 -0.1369874836 3.8262873499 0 2.2695035616 -2.3966458963 3.0232780279 0 2.4187484594 -2.8373957388 1.315194069 0 3.8670048408 -2.6892635432 2.3208362052 0 4.1435333584 1.5461809149 0.5288411659 0 -1.7028528153 -1.573513621 0.4793770359 0 4.5908633885 -0.0259297942 -3.250856669 0 4.2548595745 -1.2584470899 -2.0273108071 0 5.9186131242 -0.7679662918 -2.3724331772 0 5.6289972186 2.6736588409 -0.8123250489 0 5.3984225167 2.3301116939 -2.5378942372 0 6.7440138996 1.5978440083 -1.676719241 0 -2.3176627261 0.624763782 2.3857364496 0 -3.1707005431 -0.9177865247 2.2470309441 0 -0.4372493087 0.4495175272 -1.7707698773 0 -1.3352779243 -0.9974974229 -2.1992972345 0 -1.9127558845 0.5887852619 -2.7518229247 0 -3.6433662574 2.0724357005 -2.1818344733 0 -4.9310458283 2.1895500144 -1.0044894086 0 -5.8005904214 1.0960065561 -3.0500841765 0 -5.8075942024 -1.3230968907 -3.0066596601 0 -4.5114111349 -1.3400959317 -1.6882076421 Gaussian 16 10-Oct-2024 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:-.4343,-.002,.9593;.5696,-1.8222,.0627;-4.9267,1.0102,1.3786;3.0196,-.7941,1.782;3.2072,-.4155,.3339;1.8883,-.0654,1.0424;3.7101,.0027,2.8738;2.8772,-2.2654,2.1214;4.0949,.6764,-.1214;.6496,-.7476,.628;4.8311,.7012,-1.2443;-1.7588,-.4916,.6074;4.8893,-.4045,-2.2657;5.6926,1.8938,-1.5752;-2.7652,-.0788,1.6789;-2.242,.1665,-.6694;-3.434,.7757,-.4942;-3.8639,.6286,.9055;-1.4484,.0562,-1.9216;-4.2771,1.4743,-1.5162;-5.1387,.5685,-2.3655;-5.1494,-.7628,-2.3504;3.0989,-1.255,-.3429;1.7479,.9703,1.3258;4.7402,-.3474,3.0004;3.7411,1.0729,2.6642;3.1889,-.137,3.8263;2.2695,-2.3966,3.0233;2.4187,-2.8374,1.3152;3.867,-2.6893,2.3208;4.1435,1.5462,.5288;-1.7029,-1.5735,.4794;4.5909,-.0259,-3.2509;4.2549,-1.2584,-2.0273;5.9186,-.768,-2.3724;5.629,2.6737,-.8123;5.3984,2.3301,-2.5379;6.744,1.5978,-1.6767;-2.3177,.6248,2.3857;-3.1707,-.9178,2.247;-.4372,.4495,-1.7708;-1.3353,-.9975,-2.1993;-1.9128,.5888,-2.7518;-3.6434,2.0724,-2.1818;-4.931,2.1896,-1.0045;-5.8006,1.096,-3.0501;-5.8076,-1.3231,-3.0067;-4.5114,-1.3401,-1.6882; 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 Bioallethrin CONF147 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 1773.4311813410 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 -0.0482748527 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 2.263835 0.000000 4.624037 6.321666 0.000000 3.637815 3.164683 8.158518 0.000000 3.717921 3.001536 8.323734 1.508476 0.000000 2.324934 2.405217 6.907493 1.535550 1.537604 0.000000 4.565295 4.592973 8.823009 1.517839 2.622785 2.584167 0.000000 4.176069 3.124023 8.495994 1.516587 2.593430 2.642375 2.530604 0.000000 4.705523 4.324902 9.151512 2.634755 1.479103 2.602696 3.094118 3.894529 0.000000 1.356626 1.216877 5.894714 2.636452 2.595837 1.473604 3.869591 3.081619 3.802601 0.000000 5.751136 5.122162 10.108929 3.830993 2.524897 3.804921 4.324807 4.893523 1.342995 4.805228 0.000000 1.455309 2.736593 3.589622 4.929968 4.974169 3.697608 5.940609 5.189562 6.013452 2.422055 6.948341 0.000000 6.237262 5.107940 10.565769 4.475679 3.096377 4.479379 5.288779 5.172830 2.529331 5.144567 1.506354 7.242910 0.000000 6.896132 6.537319 11.057762 5.063699 3.892947 5.016304 5.225004 6.236219 2.479547 6.104357 1.507974 8.122647 2.530699 0.000000 2.440638 4.095424 2.438878 5.829749 6.131245 4.696809 6.585171 6.067428 7.132482 3.634857 8.176677 1.526857 8.617252 9.274385 0.000000 2.439024 3.520839 3.480431 5.883590 5.571334 4.476985 6.928888 6.317361 6.380978 3.298488 7.116621 1.515466 7.330069 8.170805 2.418311 0.000000 3.422834 4.805055 2.406318 7.021010 6.797876 5.603169 7.936017 7.478054 7.538796 4.500604 8.299480 2.371868 8.591194 9.258158 2.428957 1.350070 0.000000 3.487501 5.135467 1.224289 7.083415 7.170631 5.795509 7.850614 7.436134 8.024926 4.726764 8.957191 2.403131 9.367098 9.953953 1.518433 2.307470 1.471642 0.000000 3.054716 3.396814 4.888739 5.865365 5.194677 4.464690 7.043394 6.359747 5.861172 3.398222 6.348803 2.606165 6.363711 7.381746 3.836093 1.486621 2.549086 3.762314 0.000000 4.803628 6.070520 3.002826 8.322622 7.937898 6.850505 9.232257 8.854495 8.524839 5.814358 9.145085 3.836158 9.386965 9.978701 3.860904 2.563040 1.497776 2.598216 3.190178 0.000000 5.788861 6.648062 3.775957 9.252896 8.826656 7.835434 10.299155 9.613420 9.503002 6.648087 10.033589 4.624397 10.075597 10.940654 4.733838 3.380695 2.539777 3.511140 3.752068 1.511331 0.000000 5.810804 6.297092 4.135031 9.154827 8.784085 7.843918 10.313623 9.310324 9.617562 6.519177 10.147845 4.507573 10.045477 11.189623 4.731560 3.484600 2.958889 3.766921 3.814758 2.541933 1.331383 0.000000 3.968565 2.623648 8.514983 2.175772 1.083769 2.190893 3.507538 2.672593 2.184414 2.683184 2.764055 5.008352 2.761535 4.261586 6.313390 5.536510 6.842956 7.320350 4.988945 7.951861 8.676093 8.503398 0.000000 2.416949 3.283587 6.674874 2.222304 2.243709 1.082926 2.680149 3.518253 2.772974 2.155083 4.023031 3.866565 4.965658 4.982927 4.646832 4.532796 5.495672 5.637858 4.647296 6.680695 7.823815 8.005696 3.092273 0.000000 5.573197 5.310213 9.895517 2.155088 3.076441 3.470795 1.095227 2.814588 3.348155 4.745664 4.373243 6.927074 5.268500 5.183254 7.625550 7.904570 8.960519 8.909043 7.917503 10.248400 11.279335 11.252016 3.833405 3.673463 0.000000 4.636364 5.020681 8.762812 2.187340 2.816100 2.712680 1.090993 3.490674 2.835797 4.125228 4.074642 6.076771 5.273007 4.738620 6.680487 6.908816 7.845120 7.818322 6.999531 9.051431 10.217753 10.370973 3.856676 2.403040 1.768709 0.000000 4.622282 4.885179 8.553944 2.153959 3.503503 3.073545 1.094692 2.744768 4.131208 4.129168 5.395438 5.913312 6.330508 6.290383 6.329770 7.056778 7.960079 7.671963 7.387820 9.320946 10.401183 10.395727 4.317431 3.091126 1.769987 1.766143 0.000000 4.159932 3.461855 8.130000 2.161347 3.469393 3.082841 2.802587 1.095392 4.760782 3.328813 5.862681 5.068872 6.229388 7.160433 5.703345 6.368626 7.413965 7.159316 6.655147 8.857185 9.628725 9.305211 3.649973 3.806570 3.210017 3.785785 2.568298 0.000000 4.038092 2.453274 8.292380 2.180341 2.729455 2.835463 3.487558 1.089671 4.149746 2.823054 4.989220 4.843154 4.984513 6.438708 5.883498 5.889378 7.112207 7.186991 5.814163 8.452373 9.069877 8.661314 2.390760 3.866386 3.798552 4.342644 3.767083 1.770335 0.000000 5.251343 4.089450 9.586606 2.144769 3.090779 3.526257 2.752631 1.095066 4.164679 4.121627 5.013490 6.278212 5.225092 6.286237 7.156317 7.376794 8.557783 8.531029 7.334116 9.918939 10.661965 10.335782 3.121290 4.344355 2.590100 3.779878 3.039791 1.769480 1.769380 0.000000 4.851685 4.933177 9.125686 2.882836 2.182443 2.819070 2.840643 4.320627 1.087032 4.180790 2.081110 6.244733 3.488673 2.635798 7.189836 6.641892 7.685034 8.068646 6.284452 8.665742 9.772063 9.999042 3.114159 2.589599 3.170168 2.223856 3.823290 5.027931 4.775875 4.607245 0.000000 2.075861 2.323695 4.228161 4.960406 5.046867 3.935427 6.125210 4.914452 6.247966 2.497620 7.130113 1.090915 7.235905 8.422356 2.191257 2.153599 3.076311 3.114663 2.912966 4.460781 4.948381 4.532553 4.882052 4.369785 7.026471 6.435305 6.098737 4.788381 4.391308 5.971531 6.626852 0.000000 6.555796 5.511527 10.634331 5.328121 3.862243 5.073246 6.187763 6.067375 3.245414 5.576760 2.147680 7.444563 1.096760 2.776152 8.855327 7.306810 8.522946 9.443900 6.184363 9.159769 9.787863 9.809556 3.491831 5.479154 6.261264 6.075925 7.215527 7.097448 5.785434 6.217803 4.117979 7.478003 0.000000 5.699731 4.274006 10.052248 4.031439 2.717251 4.055541 5.090034 4.485952 2.720632 4.506653 2.187523 6.610163 1.090203 3.494038 8.025505 6.788520 8.099827 8.836120 5.853768 8.973536 9.575571 9.422903 2.042915 4.742988 5.132556 5.263925 6.054632 5.544870 4.127556 4.593914 3.796346 6.471251 1.768915 0.000000 7.214355 5.971033 11.612602 5.066021 3.847104 5.329029 5.744099 5.629128 3.237186 6.063499 2.147917 8.240083 1.096822 2.787808 9.607121 8.388665 9.663466 10.411211 7.426664 10.474467 11.137818 11.068084 3.508136 5.838997 5.516578 5.787708 6.802473 6.714335 5.489097 5.470581 4.113828 8.177314 1.756464 1.768547 0.000000 6.860142 6.824657 10.908230 5.056204 4.089265 4.993549 4.940040 6.369712 2.611454 6.210813 2.171154 8.161769 3.483476 1.092778 9.178489 8.261925 9.265090 9.861472 7.626995 10.003270 11.080969 11.417075 4.696421 4.747232 4.945027 4.267621 5.947316 7.190691 6.723374 6.456179 2.297071 8.571056 3.783112 4.338883 3.789802 0.000000 7.189571 6.879130 11.121542 5.837926 4.537329 5.556822 6.128143 7.013143 3.205178 6.484349 2.156047 8.311504 2.794895 1.097083 9.498882 8.157764 9.198099 10.027122 7.240816 9.766924 10.684785 10.993571 4.791564 5.486700 6.186646 5.602561 7.174358 7.940970 7.101259 7.151687 3.405020 8.646984 2.590637 3.800814 3.145801 1.774480 0.000000 7.812587 7.269503 12.078300 5.617455 4.539310 5.808473 5.697069 6.656012 3.207148 6.924965 2.156395 9.048831 2.792194 1.097027 10.222345 9.154917 10.279436 10.960637 8.339796 11.023017 11.947113 12.144166 4.817139 5.862639 5.447424 5.304370 6.777286 7.620182 6.879740 6.529695 3.410229 9.276627 3.122596 3.804892 2.600454 1.774209 1.757400 0.000000 2.444283 4.440770 2.823108 5.555520 5.984691 4.468851 6.079433 5.950574 6.885441 3.711779 8.018026 2.172807 8.639178 9.025710 1.093123 3.090227 3.092439 2.140540 4.430797 4.448182 5.525881 5.689934 6.349668 4.215606 7.150928 6.081675 5.742613 5.529690 5.963740 7.016915 6.785582 2.973991 8.939928 8.137538 9.613330 8.807666 9.310656 9.978197 0.000000 3.159861 4.424831 2.748619 6.208947 6.677583 5.269801 6.970363 6.197488 7.806402 4.152659 8.879202 2.205329 9.251573 10.053471 1.091396 3.247087 3.232907 2.161364 4.614369 4.594369 5.230406 5.007590 6.791863 5.348445 7.967100 7.204829 6.599100 5.690818 5.982906 7.257608 7.907043 2.389384 9.553222 8.574671 10.196937 9.984629 10.337999 10.955628 1.768156 0.000000 2.767157 3.088084 5.512514 5.110631 4.296538 3.686079 6.242820 5.788376 4.828264 2.892801 5.300608 2.878859 5.417218 6.300706 4.195064 2.133164 3.273636 4.351632 1.095382 3.982439 4.740434 4.900044 4.177166 3.825547 7.085508 6.125000 6.694770 6.197584 5.337012 6.717127 5.241608 3.279873 5.262948 4.999884 6.499327 6.531827 6.179011 7.273104 4.565437 5.048168 0.000000 3.432130 3.070104 5.452553 5.903977 5.233562 4.665703 7.224486 6.166119 6.050321 3.463479 6.467009 2.883183 6.253094 7.624949 4.234263 2.125489 3.233624 4.321826 1.095535 3.902706 4.116572 3.824373 4.813993 5.079815 8.023104 7.328650 7.583948 6.498258 5.461647 7.096297 6.628002 2.764453 6.096628 5.598867 7.259586 7.993886 7.518667 8.501990 4.961789 4.810921 1.756116 0.000000 4.038222 4.460582 5.130457 6.840760 6.061740 5.410358 7.975489 7.405290 6.558849 4.446858 6.911248 3.532005 6.891345 7.805667 4.561081 2.150186 2.728738 4.145462 1.090210 2.810925 3.249092 3.530438 5.858272 5.492982 8.844516 7.844303 8.356141 7.730193 6.858664 8.359612 6.953992 3.893616 6.551639 6.478940 7.957076 8.061414 7.518731 8.781441 5.153616 5.370356 1.777352 1.776248 0.000000 4.946510 6.160810 3.930871 8.265834 7.710360 6.750188 9.160656 8.936011 8.128634 5.854642 8.635775 4.231462 8.885288 9.357320 4.506002 2.807821 2.138548 3.415424 2.991792 1.096583 2.128774 3.214819 7.740283 6.525613 10.148611 8.888917 9.362630 9.056926 8.548970 9.967622 8.261992 4.913307 8.564373 8.573251 9.976756 9.392218 9.052465 10.410478 4.971514 5.364671 3.616908 3.840842 2.349706 0.000000 5.374000 6.891334 2.658918 8.937519 8.649236 7.468439 9.720789 9.517683 9.194389 6.514204 9.877914 4.455269 10.235166 10.643036 4.127554 3.381694 2.121412 2.687657 4.185822 1.095888 2.126778 3.251980 8.762590 7.178068 10.770664 9.482182 9.730498 9.439492 9.201662 10.595580 9.225671 5.175301 10.031015 9.864872 11.328428 10.572880 10.443611 11.709356 4.557626 4.829776 4.879458 4.951200 3.837408 1.748707 0.000000 6.788052 7.667147 4.514878 10.233135 9.740482 8.787259 11.257976 10.646469 10.328292 7.650590 10.791220 5.677422 10.823129 11.614832 5.740804 4.381217 3.497952 4.429005 4.614790 2.194735 1.088603 2.090110 9.594649 8.726022 12.239234 11.121900 11.384883 10.686944 10.103704 11.689202 10.578136 6.031160 10.453773 10.377938 11.885846 11.752958 11.278442 12.629532 6.473098 6.247488 5.551578 5.004559 3.932110 2.522080 2.477176 0.000000 6.807810 7.095003 5.044869 10.056347 9.656606 8.786531 11.266100 10.129693 10.506282 7.432149 10.972065 5.490448 10.761782 12.027107 5.723526 4.516078 4.043657 4.784589 4.699196 3.519853 2.106331 1.085260 9.296558 9.006391 12.177506 11.361169 11.359260 10.136674 9.415107 11.128634 10.943375 5.391110 10.481898 10.110207 11.756460 12.311977 11.795782 12.955443 6.712058 5.892262 5.788799 4.556255 4.346263 4.110214 4.137114 2.419503 0.000000 5.042076 5.395836 3.886081 8.310010 8.032502 7.073688 9.497844 8.364265 8.977175 5.687841 9.573252 3.683244 9.464769 10.704774 3.997178 2.908245 2.657629 3.320020 3.374341 2.829389 2.120115 1.085779 7.728778 7.321264 10.419209 9.636869 9.547345 8.324374 7.699964 9.385656 9.389034 3.555405 9.328468 8.773207 10.468090 10.940991 10.601754 11.632550 5.026950 4.178750 4.450655 3.235183 3.406592 3.555635 3.619664 3.074294 1.848971 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:.4497,-.9836,-.2835;-.55,-.557,1.7023;4.9287,-1.513,-1.3032;-3.0918,-1.6722,.1823;-3.1397,-.1655,.2362;-1.8722,-.8638,-.2833;-3.8386,-2.42,-.9072;-3.0408,-2.4311,1.4943;-3.9388,.6649,-.691;-.6325,-.7802,.509;-4.5752,1.8114,-.4011;1.7776,-.9123,.3077;-4.5927,2.4735,.9518;-5.3545,2.5495,-1.4603;2.7057,-1.9096,-.3818;2.3948,.4485,.055;3.5921,.3448,-.56;3.8949,-1.0721,-.8177;1.7065,1.685,.5106;4.5476,1.4407,-.9196;5.4395,1.91,.2067;5.3929,1.5128,1.4766;-3.0096,.2289,1.2373;-1.713,-.8501,-1.3544;-4.8895,-2.5448,-.6249;-3.8066,-1.9102,-1.8712;-3.4065,-3.4169,-1.0411;-2.518,-3.3854,1.3684;-2.5399,-1.8694,2.2824;-4.0609,-2.6503,1.8268;-4.0059,.299,-1.7124;1.6873,-1.0954,1.3793;-4.196,3.4934,.8794;-4.0173,1.9419,1.71;-5.6236,2.5672,1.3144;-5.3233,2.0399,-2.4265;-4.9616,3.565,-1.5945;-6.4051,2.6597,-1.1641;2.2297,-2.3398,-1.2668;3.0258,-2.7298,.2631;.7036,1.7485,.0747;1.5732,1.6581,1.5977;2.2617,2.5859,.2485;3.9984,2.3062,-1.3093;5.1851,1.0969,-1.742;6.1787,2.6522,-.0896;6.0803,1.9162,2.2131;4.6772,.7755,1.8274; 0.4793783 0.1196819 0.1067683 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= 1.08D-06 NBF= 1092 NBsUse= 1090 1.00D-06 EigRej= 9.49D-07 NBFU= 1090 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= 1206 1206 1206 1206 1206 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -965.655340255574 -965.711388539986 -0.056048284412 -965.711435231402 -0.000046691417 -965.711601053670 -0.000165822268 -965.711622760112 -0.000021706441 -965.711626544189 -0.000003784078 -965.711626679841 -0.000000135652 -965.711626712070 -0.000000032228 -965.711626712817 -0.000000000747 -965.711626712736 0.000000000081 -965.711626712940 -0.000000000205 -965.711626713 11 9.610637537370e+02 -5.794024343914e+03 2.093864807402e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1412559934 LenY= 1411060534 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. PT28192.800S 2024-10-10T09:28:37.000 -19.17385 -19.11687 -19.11631 -10.30780 -10.26150 -10.24132 -10.20601 -10.19813 -10.18611 -10.18429 -10.18369 -10.17750 -10.17722 -10.17648 -10.17608 -10.16822 -10.16113 -10.15869 -10.15706 -10.15582 -10.15545 -10.15405 -1.10887 -1.04423 -1.02495 -0.88338 -0.86979 -0.80624 -0.80148 -0.76116 -0.74423 -0.73209 -0.70864 -0.69016 -0.68667 -0.67945 -0.67080 -0.62927 -0.57822 -0.56536 -0.56044 -0.55407 -0.53495 -0.51480 -0.49833 -0.48889 -0.47802 -0.47329 -0.46827 -0.46388 -0.45181 -0.45118 -0.44006 -0.43009 -0.42790 -0.42297 -0.41920 -0.41448 -0.40614 -0.39802 -0.39713 -0.39055 -0.38860 -0.38161 -0.38001 -0.37946 -0.37532 -0.37204 -0.36644 -0.36288 -0.35580 -0.35156 -0.34861 -0.32722 -0.32026 -0.31171 -0.29335 -0.28135 -0.26967 -0.26572 -0.25952 -0.22761 -0.05944 -0.01512 0.00009 0.00259 0.00966 0.01506 0.01603 0.02029 0.02343 0.02847 0.03012 0.03391 0.03997 0.04208 0.04541 0.04923 0.05108 0.05520 0.05693 0.05882 0.06317 0.06585 0.06868 0.07060 0.07180 0.07656 0.08043 0.08241 0.08640 0.09039 0.09224 0.09561 0.09689 0.10322 0.10370 0.10618 0.10882 0.11430 0.11815 0.12238 0.12564 0.12632 0.12921 0.13141 0.13394 0.13634 0.13996 0.14121 0.14405 0.14688 0.15045 0.15229 0.15582 0.15833 0.16340 0.16614 0.16835 0.17298 0.17390 0.17841 0.17889 0.18254 0.18627 0.19122 0.19234 0.19279 0.19388 0.19547 0.19938 0.20218 0.20271 0.20589 0.20837 0.21086 0.21351 0.21594 0.21948 0.22047 0.22408 0.22575 0.22699 0.23101 0.23276 0.23559 0.23777 0.23902 0.24210 0.24236 0.24364 0.24529 0.25105 0.25312 0.25583 0.25665 0.26011 0.26582 0.26894 0.27150 0.27579 0.27611 0.27926 0.28069 0.28517 0.28600 0.28907 0.28998 0.29035 0.29603 0.30053 0.30436 0.30790 0.31062 0.31567 0.31684 0.31794 0.32384 0.33258 0.33561 0.33809 0.34209 0.34341 0.34733 0.34998 0.35418 0.35526 0.35782 0.36338 0.36517 0.36787 0.37292 0.37606 0.37768 0.38447 0.38780 0.38945 0.39157 0.39771 0.39849 0.40360 0.40511 0.40781 0.41033 0.41546 0.42022 0.42087 0.42598 0.42805 0.43325 0.43618 0.44168 0.44326 0.44695 0.44747 0.45090 0.45361 0.46000 0.46302 0.46914 0.47354 0.47812 0.47903 0.48142 0.48621 0.48734 0.49560 0.49793 0.50348 0.50840 0.50890 0.51597 0.52445 0.52741 0.53150 0.53392 0.53711 0.53831 0.54704 0.54801 0.54993 0.55425 0.55545 0.55809 0.56136 0.56338 0.56633 0.57250 0.57587 0.57846 0.58344 0.58713 0.59100 0.59181 0.59505 0.59801 0.60024 0.60186 0.60797 0.61209 0.61389 0.61832 0.62052 0.62215 0.62664 0.63298 0.63548 0.63731 0.64047 0.64807 0.64939 0.65433 0.65580 0.65897 0.66234 0.66556 0.66977 0.67197 0.67536 0.67922 0.68404 0.68658 0.68986 0.69551 0.69743 0.69829 0.70286 0.70878 0.71460 0.71743 0.72018 0.72864 0.72894 0.73191 0.73781 0.74051 0.74577 0.74972 0.75152 0.75270 0.75790 0.76499 0.76784 0.77002 0.77189 0.78066 0.78873 0.79070 0.79294 0.80171 0.80773 0.80971 0.81456 0.82328 0.82554 0.82692 0.83502 0.84419 0.84509 0.85154 0.85222 0.85571 0.86372 0.86678 0.87191 0.87277 0.87686 0.88748 0.89412 0.89994 0.90542 0.90758 0.91259 0.91621 0.92556 0.92829 0.93924 0.94700 0.95065 0.95496 0.96394 0.97238 0.98019 0.98567 0.98651 0.99454 0.99623 0.99972 1.00355 1.00968 1.01186 1.01987 1.02274 1.03248 1.03718 1.04015 1.04387 1.04700 1.05581 1.06022 1.06426 1.07026 1.07261 1.08360 1.08491 1.09684 1.09761 1.10192 1.10404 1.11024 1.11259 1.11890 1.12216 1.12495 1.12749 1.13180 1.13640 1.14417 1.14847 1.14977 1.15161 1.15441 1.15890 1.16113 1.16680 1.16856 1.17194 1.17702 1.18300 1.18576 1.19134 1.19431 1.19671 1.19975 1.20459 1.20715 1.21339 1.22161 1.22740 1.23266 1.23551 1.24119 1.24177 1.25414 1.25831 1.26469 1.26851 1.27041 1.27222 1.27942 1.28497 1.28948 1.29540 1.29804 1.29993 1.30498 1.30794 1.31176 1.31753 1.32463 1.33035 1.33152 1.33794 1.33977 1.34442 1.34564 1.35370 1.35715 1.36164 1.36480 1.36749 1.36862 1.37289 1.38032 1.38629 1.38781 1.38896 1.39179 1.40265 1.40374 1.40737 1.41235 1.41956 1.42560 1.42936 1.43606 1.44060 1.44397 1.45092 1.45337 1.45966 1.46169 1.46975 1.47446 1.47691 1.48009 1.48352 1.48502 1.49488 1.49866 1.50364 1.51349 1.51898 1.52416 1.52774 1.53473 1.53627 1.54312 1.54744 1.55719 1.56085 1.56709 1.57306 1.57488 1.58019 1.58988 1.59149 1.59802 1.60514 1.61103 1.61744 1.61875 1.62784 1.62819 1.64915 1.65063 1.65939 1.66576 1.67375 1.67592 1.67818 1.68487 1.69193 1.69434 1.70445 1.71579 1.71846 1.73510 1.73681 1.74250 1.75433 1.75804 1.76488 1.77012 1.77624 1.78126 1.79491 1.80557 1.81808 1.82028 1.82831 1.83950 1.84690 1.84917 1.85740 1.86652 1.87842 1.88005 1.88271 1.89509 1.90988 1.91541 1.91886 1.93497 1.94127 1.94404 1.95082 1.96151 1.96620 1.97934 1.99002 1.99624 2.00440 2.01230 2.02067 2.02782 2.03254 2.04014 2.04543 2.05767 2.06107 2.06764 2.07705 2.08754 2.09344 2.10499 2.11013 2.11378 2.13716 2.13962 2.15130 2.15984 2.16289 2.16893 2.17981 2.18945 2.19416 2.19615 2.21007 2.21981 2.22348 2.23490 2.24774 2.25343 2.26501 2.26796 2.27495 2.28374 2.29306 2.30201 2.32045 2.32908 2.33782 2.35429 2.36392 2.37310 2.38373 2.39034 2.40157 2.41964 2.42324 2.42727 2.44093 2.45574 2.46140 2.47463 2.49737 2.51237 2.52927 2.54243 2.55334 2.55934 2.57545 2.59486 2.60843 2.62444 2.64829 2.65337 2.66891 2.69115 2.69442 2.70682 2.71156 2.76230 2.77577 2.78206 2.78589 2.79865 2.81311 2.81541 2.82925 2.82972 2.83626 2.84373 2.84934 2.86235 2.86807 2.87574 2.88408 2.88729 2.89305 2.89583 2.90723 2.91250 2.91562 2.92112 2.93191 2.93606 2.94219 2.94567 2.95434 2.96557 2.97053 2.97359 2.98393 2.98767 2.99114 2.99762 3.00217 3.00462 3.00737 3.01398 3.01663 3.02131 3.02562 3.03714 3.03872 3.05076 3.05661 3.06358 3.06775 3.07764 3.08165 3.08553 3.09067 3.09627 3.10172 3.11158 3.11542 3.12564 3.13706 3.13869 3.15235 3.15968 3.16796 3.18438 3.18720 3.19339 3.20118 3.20785 3.21380 3.22190 3.22934 3.23367 3.23959 3.24359 3.24866 3.25768 3.26029 3.26219 3.27043 3.27328 3.27801 3.28230 3.29154 3.29681 3.30417 3.30804 3.31421 3.32504 3.33050 3.33889 3.34291 3.34549 3.35176 3.35705 3.36593 3.37012 3.37731 3.38044 3.38259 3.39496 3.40122 3.41109 3.41915 3.43359 3.44066 3.44467 3.45461 3.46473 3.47744 3.49966 3.50318 3.51127 3.51633 3.52557 3.53281 3.54499 3.54758 3.56128 3.56632 3.57579 3.57994 3.58730 3.59530 3.60676 3.61416 3.62355 3.63400 3.64330 3.64890 3.65315 3.66681 3.68032 3.68710 3.69271 3.69456 3.70674 3.71005 3.71874 3.72705 3.73195 3.74627 3.75466 3.76389 3.77001 3.78498 3.80154 3.81045 3.82169 3.82521 3.84211 3.86286 3.86608 3.87910 3.88458 3.89513 3.90469 3.90885 3.91986 3.92941 3.94457 3.95050 3.95933 3.96264 3.97444 3.98562 3.99332 4.00261 4.01096 4.02183 4.04425 4.05530 4.06678 4.07549 4.08319 4.08480 4.11339 4.11942 4.13748 4.15005 4.16233 4.16997 4.17513 4.18830 4.19477 4.21960 4.24639 4.25085 4.25393 4.26237 4.28200 4.29056 4.30411 4.31320 4.31930 4.32100 4.33127 4.34129 4.34778 4.35297 4.35649 4.36255 4.36721 4.37215 4.37670 4.38020 4.38250 4.39080 4.39537 4.40129 4.40839 4.41154 4.41760 4.42468 4.43264 4.44576 4.44738 4.45132 4.46402 4.46670 4.47858 4.49211 4.49632 4.50323 4.50520 4.51801 4.52486 4.52708 4.54008 4.54644 4.54807 4.55736 4.56471 4.56672 4.57108 4.57389 4.58630 4.59561 4.62095 4.63086 4.63603 4.64674 4.65218 4.66060 4.66963 4.67244 4.68396 4.69328 4.70802 4.72124 4.72704 4.74431 4.75991 4.76929 4.77471 4.78703 4.79592 4.80151 4.81263 4.81422 4.84043 4.85967 4.87327 4.88706 4.90898 4.91990 4.95239 4.97734 4.99253 5.01400 5.03049 5.09049 5.10593 5.11462 5.11968 5.12207 5.17702 5.22236 5.23356 5.29993 5.31111 5.34486 5.36135 5.39465 5.41498 5.42627 5.44085 5.46797 5.48402 5.49865 5.52715 5.53781 5.55517 5.55710 5.55984 5.60371 5.61483 5.62647 5.63758 5.65814 5.69222 5.70019 5.73063 5.73446 5.74320 5.74637 5.75701 5.76490 5.76695 5.77970 5.78227 5.79934 5.80685 5.81519 5.82162 5.82476 5.84705 5.85143 5.86351 5.88272 5.89852 5.91399 5.93711 6.02401 6.03118 6.12432 6.12855 6.16600 6.19525 6.30823 6.35316 6.44272 6.61383 6.63395 6.69218 6.96085 7.07867 7.10717 7.12008 7.14029 7.17247 7.18840 7.19329 7.20226 7.22400 7.23041 7.23610 7.25891 7.27337 7.28053 7.28981 7.30255 7.30761 7.31808 7.34013 7.36284 7.36756 7.37113 7.38006 7.40173 7.41320 7.43065 7.44073 7.45586 7.46180 7.46741 7.48215 7.50130 7.50347 7.50382 7.56711 7.57351 7.59453 7.61235 7.61433 7.64640 7.65665 7.67385 7.69467 7.69769 7.71443 7.72120 7.74644 7.75749 7.78686 7.79174 7.79571 7.80329 7.82715 7.83625 7.85204 7.87276 7.92611 7.93771 7.94521 7.97030 7.99614 8.02319 8.03661 8.05144 8.05429 8.06348 8.08945 8.10016 8.10722 8.11363 8.12202 8.13258 8.14023 8.15636 8.16575 8.18027 8.21745 8.23435 8.28114 8.30098 8.34380 8.40841 8.41801 8.43767 8.46010 8.48876 8.60884 8.61680 8.62652 8.64580 8.70249 8.74560 8.76116 8.87365 9.03553 9.30711 14.40769 14.44268 14.44912 14.45994 14.47189 14.49059 14.61989 14.67237 14.69836 14.80369 14.81368 14.97924 15.04284 15.10148 15.21764 24.15734 24.23876 24.26083 24.33609 24.44669 24.45091 24.45514 24.52563 24.53263 24.56785 24.59696 24.66360 24.66847 24.76604 25.11172 25.15830 25.67049 25.72505 25.77234 50.25386 50.42306 50.50629 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 -0.517491 -0.776562 -0.878387 0.260860 0.407352 -0.169413 -0.498541 -0.562402 -0.541978 0.385985 0.328265 0.303362 -0.574482 -0.555984 0.096970 0.433990 0.472086 -0.175161 -0.594235 -0.379327 -0.243477 -0.469682 0.142189 0.131551 0.153753 0.159869 0.150292 0.152285 0.166865 0.147968 0.147325 0.175139 0.165794 0.163204 0.164574 0.138838 0.166117 0.167049 0.192506 0.173060 0.215810 0.184512 0.157649 0.171999 0.162447 0.147127 0.166726 0.183606 -0.00000 -5.2612 2.5769 -0.1877 5.8614 -153.1742 -127.4553 -138.6178 14.7035 11.8521 -4.0417 -13.4251 12.2938 1.1313 14.7035 11.8521 -4.0417 -216.0371 -3.7474 -7.9977 -17.4226 103.3007 51.9398 -6.9411 4.5107 3.6820 -31.4594 -11971.7710 -2347.0585 -941.1970 460.9961 242.6799 2.3244 -28.8219 31.3422 8.2969 -2183.2695 -2007.7548 -568.1684 -137.1809 8.1449 30.8758 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-HAMILTON26 APULGAR 2024-10-10T00:00:00.000 0 Single Point Bioallethrin CONF147 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-965.7116267 RMSD=4.355e-09 Dipole=2.1565455,0.2745309,-0.7692977 Quadrupole=-11.562654,2.7095173,8.8531367,6.2685578,11.2205548,-4.8180589 PG=C01 [X(C19H26O3)] 0 -0.434318168 -0.0019881331 0.9593020808 0 0.5696153027 -1.8222145022 0.0627290764 0 -4.9266840939 1.0102225151 1.378578878 0 3.0195731218 -0.7941206805 1.7820159777 0 3.2072212708 -0.4155488337 0.3339238344 0 1.8882644827 -0.0653875466 1.0424200292 0 3.710128912 0.002678798 2.8738392121 0 2.8771997508 -2.2653700493 2.121415171 0 4.0948883116 0.6764480167 -0.1214176545 0 0.6495567931 -0.7475703188 0.6280076596 0 4.8311454843 0.7011710312 -1.2443381697 0 -1.7588435805 -0.4915807122 0.607370409 0 4.8892812135 -0.404504867 -2.2657114974 0 5.6925621201 1.8938422597 -1.5752202279 0 -2.7652024955 -0.0787861183 1.6788813612 0 -2.2420317353 0.1664922631 -0.6693858332 0 -3.4340302528 0.7757067142 -0.4942142985 0 -3.8639137107 0.6286065306 0.9055326207 0 -1.4483960101 0.0562016666 -1.9215919831 0 -4.2771421259 1.474325829 -1.5161868508 0 -5.1387294825 0.568489718 -2.3654509554 0 -5.1494479698 -0.7627650423 -2.3504123607 0 3.0989046003 -1.2550356806 -0.3428950972 0 1.7478623895 0.9703257654 1.3258181278 0 4.74016553 -0.3473743337 3.0003680912 0 3.7410865235 1.0728842003 2.6641540165 0 3.188892722 -0.1369874836 3.8262873499 0 2.2695035616 -2.3966458963 3.0232780279 0 2.4187484594 -2.8373957388 1.315194069 0 3.8670048408 -2.6892635432 2.3208362052 0 4.1435333584 1.5461809149 0.5288411659 0 -1.7028528153 -1.573513621 0.4793770359 0 4.5908633885 -0.0259297942 -3.250856669 0 4.2548595745 -1.2584470899 -2.0273108071 0 5.9186131242 -0.7679662918 -2.3724331772 0 5.6289972186 2.6736588409 -0.8123250489 0 5.3984225167 2.3301116939 -2.5378942372 0 6.7440138996 1.5978440083 -1.676719241 0 -2.3176627261 0.624763782 2.3857364496 0 -3.1707005431 -0.9177865247 2.2470309441 0 -0.4372493087 0.4495175272 -1.7707698773 0 -1.3352779243 -0.9974974229 -2.1992972345 0 -1.9127558845 0.5887852619 -2.7518229247 0 -3.6433662574 2.0724357005 -2.1818344733 0 -4.9310458283 2.1895500144 -1.0044894086 0 -5.8005904214 1.0960065561 -3.0500841765 0 -5.8075942024 -1.3230968907 -3.0066596601 0 -4.5114111349 -1.3400959317 -1.6882076421