Gaussian 16 GINC-HAMILTON37 APULGAR Optimization CONF156 octanol EM64L-G16RevC.01 7-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:.0027,.7695,-.1152;1.3408,-.6841,-1.1498;-3.689,-1.8644,.8357;3.5997,1.3644,-.4287;3.5672,.3799,.6877;2.2692,1.0458,.2351;3.8897,.9114,-1.838;4.141,2.7433,-.1325;3.8615,-1.0613,.4814;1.2063,.2738,-.4269;3.2822,-2.0756,1.1273;-1.1401,.1267,-.6805;2.1759,-1.9033,2.121;3.6954,-3.4938,.8773;-1.5127,-1.1868,-.0028;-2.3218,1.0335,-.4595;-3.3452,.3882,.1197;-2.9629,-1.0047,.3839;-2.2745,2.4407,-.9237;-4.7118,.8978,.4193;-5.7173,.6315,-.6635;-5.4755,.0887,-1.8502;3.8972,.769,1.6483;1.8943,1.8175,.8974;3.4108,1.5751,-2.5608;4.9656,.9551,-2.0201;3.564,-.1026,-2.0527;3.9282,3.0562,.8907;5.2248,2.7656,-.266;3.7099,3.488,-.8047;4.6493,-1.291,-.231;-.987,-.008,-1.7559;2.4528,-2.3353,3.0866;1.2801,-2.4391,1.7944;1.9023,-.8634,2.291;4.0365,-3.974,1.7983;4.4982,-3.5656,.1433;2.8531,-4.0885,.5137;-.9197,-1.358,.8999;-1.3852,-2.0579,-.6455;-3.242,2.934,-.8549;-1.5574,3.0206,-.3382;-1.9401,2.4889,-1.9624;-4.6866,1.9733,.6167;-5.0756,.4464,1.3476;-6.7334,.9269,-.4194;-6.2753,-.0574,-2.565;-4.4874,-.2296,-2.1611; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/apulgar/opt-b3lyp-pople.com-6499842/Gau-821970.inp" -scrdir="/temporal/apulgar/opt-b3lyp-pople.com-6499842/" 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 CONF156 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 1.3386 1.4279 1.2075 1.2126 1.4888 1.5206 1.5085 1.5107 1.5275 1.4853 1.0877 1.471 1.0839 1.0919 1.092 1.0864 1.0909 1.0921 1.0919 1.3347 1.0867 1.497 1.4982 1.5243 1.5058 1.0946 1.0934 1.0937 1.0887 1.0932 1.0902 1.0934 1.5119 1.0936 1.0901 1.3414 1.4825 1.4683 1.489 1.0882 1.0923 1.0922 1.5015 1.0937 1.0945 1.3271 1.0859 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 48 117.4303 120.4093 117.6732 120.8694 114.7844 112.8522 122.2218 114.7712 123.3827 111.3156 114.1849 123.075 114.8477 121.2327 115.0394 113.5013 110.5915 109.4603 114.0312 107.3027 107.7546 107.4405 112.0689 110.5038 111.1229 107.6041 107.7387 107.6153 125.7452 116.0872 118.1145 122.233 110.5169 127.248 123.6767 121.2615 115.0539 114.0514 107.3849 109.4183 105.1776 111.4095 109.1526 110.7074 110.5325 113.5333 106.1159 107.6448 107.9798 111.1804 112.1948 110.9733 107.9724 106.3563 107.9137 104.1475 111.6778 113.4426 109.1387 111.0614 107.3466 111.8637 120.0409 128.0361 109.5962 128.4972 121.8328 125.7473 125.7107 108.542 112.4674 110.9186 110.4498 108.0048 108.1972 106.5756 114.1319 110.5913 109.5463 108.6616 108.4184 105.0775 126.5356 114.6006 118.8635 120.7288 122.8761 116.3951 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 -0.4457 -179.9527 76.9131 -166.9726 -48.6201 2.2282 147.7332 -142.4831 3.0219 0.9985 -144.6934 141.7454 -3.9465 151.6789 -90.305 30.0654 79.3904 -162.5935 -42.2231 -62.0451 55.971 176.3415 -32.4788 87.5236 -153.0808 36.3622 156.3646 -84.2399 -179.7502 -59.7478 59.6477 0.9662 143.9071 -140.6414 2.2995 -145.1296 37.5855 -71.4547 111.2604 69.1826 -108.1023 -142.136 38.3878 147.4249 -32.0513 3.9652 -175.511 3.5125 -177.5637 -179.2522 -0.3284 -122.7884 119.9237 -1.5853 58.227 -59.0608 179.4302 121.6754 0.6459 -120.1621 -59.3131 179.6573 58.8494 125.3669 7.7188 -113.7525 7.9737 -109.6744 128.8543 -110.1582 132.1938 10.7224 -127.9758 54.6056 -6.1435 176.4379 113.5 -63.9186 172.4615 -7.4911 -68.1516 111.8958 50.0015 -129.9511 1.412 -175.4672 178.5746 1.6954 170.3604 -68.5646 49.3712 -6.5975 114.4775 -127.5867 -175.9361 4.0166 1.1893 -178.858 92.4393 -30.4392 -145.796 -84.0998 153.0217 37.6649 -4.9364 175.2307 118.9857 -60.8472 -127.3202 52.8469 -179.7584 0.1823 0.0682 -179.9912 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 1831.6252314819 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= 1.09D-06 NBF= 640 NBsUse= 639 1.00D-06 EigRej= 4.66D-07 NBFU= 639 Berny optimization. local minimum Step number 29 out of a maximum of 261 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00102 0.00135 0.00180 0.00431 0.00533 0.00654 0.00665 0.00789 0.00893 0.01015 0.01095 0.01185 0.01338 0.01497 0.01668 0.01791 0.01866 0.02101 0.02201 0.02488 0.02835 0.02873 0.02966 0.03054 0.03085 0.03964 0.04481 0.04619 0.04787 0.04964 0.05101 0.05538 0.05600 0.05645 0.05806 0.05953 0.06167 0.06550 0.06956 0.07052 0.07154 0.07274 0.07353 0.07445 0.07556 0.07817 0.08366 0.09681 0.09962 0.10482 0.10923 0.12316 0.13601 0.14810 0.15044 0.15706 0.15898 0.15961 0.15985 0.15995 0.15998 0.16000 0.16002 0.16006 0.16008 0.16011 0.16022 0.16035 0.16058 0.16105 0.16120 0.16283 0.16464 0.17709 0.18806 0.20394 0.21629 0.21740 0.22027 0.22971 0.23443 0.24456 0.24701 0.24883 0.24957 0.25005 0.25217 0.26172 0.27830 0.28993 0.29780 0.30233 0.30366 0.31384 0.31597 0.31684 0.32312 0.32674 0.32997 0.33320 0.34032 0.34240 0.34276 0.34326 0.34392 0.34411 0.34423 0.34435 0.34472 0.34538 0.34558 0.34570 0.34581 0.34611 0.34652 0.34731 0.34777 0.34811 0.34825 0.34959 0.35077 0.35121 0.35200 0.35269 0.35352 0.35505 0.35622 0.35673 0.36017 0.36974 0.38445 0.43673 0.55779 0.56542 0.59624 0.61502 0.97914 1.03210 -2.32757243e-08 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 2.57027 2.74464 2.29767 2.31388 2.83027 2.89755 2.86540 2.87054 2.93551 2.81634 2.05472 2.77945 2.04583 2.06870 2.06958 2.05559 2.06601 2.06976 2.06921 2.53204 2.05456 2.84475 2.84491 2.89194 2.85623 2.06507 2.07317 2.07160 2.06097 2.07292 2.06491 2.07269 2.86858 2.06547 2.06193 2.55030 2.80899 2.78220 2.82973 2.06029 2.06915 2.07179 2.85592 2.07184 2.07113 2.51600 2.05718 2.05083 2.05188 2.03655 2.10053 2.04975 2.10353 1.99965 1.97405 2.14662 2.00646 2.13807 1.93162 1.99818 2.16393 2.02157 2.09038 2.01004 1.97569 1.92232 1.90922 1.97305 1.88019 1.88443 1.89212 1.95253 1.92117 1.93274 1.88405 1.88773 1.88350 2.18457 2.03153 2.06682 2.12998 1.92428 2.22862 2.15385 2.12233 2.00692 1.97654 1.87415 1.88581 1.83966 1.95887 1.92690 1.92804 1.92341 1.97449 1.85647 1.88840 1.88870 1.93386 1.95729 1.92958 1.89039 1.85932 1.89002 1.81807 1.94147 1.98097 1.91069 1.93046 1.88161 1.95064 2.09515 2.23665 1.91342 2.23824 2.13085 2.18544 2.19979 1.89794 1.96186 1.92413 1.91530 1.90376 1.89524 1.86056 2.00748 1.92259 1.89887 1.89197 1.88923 1.84670 2.21045 1.99356 2.07916 2.11130 2.13351 2.03836 0.01740 -3.09969 1.33204 -2.92764 -0.84909 0.01549 2.59717 -2.51058 0.07109 0.06655 -2.52796 2.51696 -0.07756 2.69660 -1.52321 0.58696 1.42380 -2.79601 -0.68584 -1.03587 1.02750 3.13767 -0.56913 1.52554 -2.67637 0.64308 2.73775 -1.46416 -3.13827 -1.04360 1.03767 0.02417 2.47407 -2.41877 0.03113 -2.62349 0.54331 -1.34348 1.82331 1.07564 -2.04075 -2.67072 0.49711 2.39887 -0.71648 -0.06364 3.10419 0.05320 -3.10391 -3.11406 0.01201 -2.05302 2.18377 0.06686 1.10315 -0.94324 -3.06015 2.13582 0.02115 -2.09005 -1.02007 -3.13474 1.03725 2.13588 0.07919 -2.04643 0.09204 -1.96465 2.19292 -2.00617 2.22032 0.09470 -2.18752 0.99237 -0.07543 3.10446 2.04371 -1.05959 3.05535 -0.08239 -1.15006 1.99540 0.92085 -2.21688 0.02352 -3.07874 3.12295 0.02070 3.13414 -1.02098 1.02319 0.03778 2.16585 -2.07317 -3.09843 0.03926 0.00670 -3.13879 1.44778 -0.69634 -2.71326 -1.65008 2.48899 0.47206 -0.07709 3.06915 2.08333 -1.05362 -2.20445 0.94178 -3.13869 0.00693 -0.00195 -3.13952 -0.00001 0.00001 0.00000 0.00001 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00002 0.00000 0.00001 -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 -0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00002 0.00000 0.00000 0.00000 0.00001 0.00000 -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 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00001 -0.00000 0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00002 0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00001 0.00001 -0.00001 -0.00001 -0.00002 -0.00002 0.00005 0.00000 0.00000 0.00002 -0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00002 0.00002 0.00000 -0.00001 0.00001 0.00000 0.00003 0.00001 -0.00002 -0.00000 -0.00001 -0.00001 -0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00002 -0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00001 0.00001 0.00001 -0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00001 -0.00012 -0.00010 -0.00012 0.00003 0.00002 0.00001 0.00001 -0.00007 0.00002 -0.00008 0.00001 0.00010 0.00010 0.00008 0.00010 0.00010 0.00009 0.00012 0.00012 0.00010 0.00008 0.00008 0.00008 0.00008 0.00008 0.00008 0.00006 0.00006 0.00006 -0.00004 0.00003 -0.00003 0.00004 0.00014 0.00017 0.00015 0.00018 0.00014 0.00017 0.00014 0.00016 0.00012 0.00014 0.00005 0.00007 0.00004 -0.00001 -0.00000 -0.00005 -0.00008 -0.00009 -0.00009 -0.00004 -0.00004 -0.00005 0.00005 0.00005 0.00005 0.00001 0.00001 0.00001 -0.00001 -0.00002 -0.00002 -0.00003 -0.00005 -0.00004 -0.00001 -0.00002 -0.00002 -0.00001 -0.00003 0.00003 0.00001 0.00001 -0.00001 0.00003 0.00003 0.00005 0.00005 0.00003 0.00003 -0.00001 0.00001 0.00001 0.00003 -0.00010 -0.00011 -0.00010 -0.00012 -0.00013 -0.00013 -0.00001 -0.00001 -0.00003 -0.00003 -0.00017 -0.00016 -0.00016 -0.00015 -0.00014 -0.00015 0.00008 0.00007 0.00008 0.00007 0.00007 0.00006 -0.00001 -0.00003 0.00000 -0.00002 0.00002 0.00005 0.00001 0.00002 -0.00001 0.00002 0.00000 0.00000 0.00002 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00001 0.00001 0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00002 -0.00001 -0.00002 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00003 -0.00000 -0.00001 -0.00001 -0.00002 0.00002 -0.00002 0.00001 -0.00000 -0.00002 0.00002 0.00006 0.00001 -0.00005 0.00002 -0.00002 -0.00002 0.00000 -0.00001 0.00001 0.00000 0.00002 -0.00001 -0.00001 -0.00000 0.00001 0.00001 0.00001 -0.00003 0.00002 0.00001 -0.00002 -0.00002 0.00004 -0.00001 0.00000 0.00000 0.00002 -0.00005 -0.00002 0.00000 0.00004 0.00002 0.00000 -0.00002 -0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00001 -0.00002 0.00002 -0.00001 0.00000 -0.00001 0.00002 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00000 -0.00004 -0.00000 -0.00002 -0.00000 0.00003 0.00004 -0.00004 0.00001 0.00003 0.00002 -0.00004 0.00002 0.00001 -0.00004 -0.00002 -0.00005 -0.00007 0.00001 0.00004 -0.00001 0.00001 0.00010 0.00002 0.00011 0.00002 -0.00006 -0.00007 -0.00005 -0.00006 -0.00006 -0.00004 -0.00005 -0.00005 -0.00003 -0.00002 -0.00002 -0.00002 -0.00002 -0.00003 -0.00003 -0.00003 -0.00003 -0.00003 0.00012 0.00003 0.00012 0.00003 0.00003 -0.00006 0.00002 -0.00007 0.00001 -0.00008 -0.00002 -0.00007 -0.00000 -0.00006 0.00007 0.00002 0.00000 -0.00002 0.00009 0.00007 0.00016 0.00016 0.00017 0.00018 0.00018 0.00019 0.00003 0.00003 0.00002 0.00001 0.00001 0.00001 -0.00002 -0.00002 -0.00005 0.00004 0.00004 0.00000 -0.00000 -0.00001 -0.00004 0.00004 0.00007 0.00003 0.00006 0.00009 0.00012 0.00008 -0.00009 0.00009 -0.00008 0.00011 -0.00006 -0.00009 -0.00001 -0.00013 -0.00005 -0.00003 -0.00003 -0.00003 0.00001 0.00001 0.00001 -0.00005 0.00012 -0.00013 0.00004 -0.00019 -0.00015 -0.00019 -0.00009 -0.00006 -0.00009 -0.00005 -0.00002 -0.00009 -0.00006 -0.00002 0.00000 -0.00000 -0.00003 -0.00003 -0.00005 0.00002 0.00004 -0.00000 0.00001 -0.00000 0.00003 0.00000 -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 -0.00000 0.00000 0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00002 -0.00001 0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00004 0.00000 -0.00000 -0.00001 -0.00001 0.00001 -0.00002 0.00002 0.00001 -0.00003 0.00001 0.00004 -0.00002 -0.00000 0.00002 -0.00002 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00002 0.00001 0.00001 -0.00004 -0.00000 0.00005 -0.00002 0.00001 0.00000 0.00005 -0.00004 -0.00004 -0.00000 0.00003 0.00000 -0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00001 0.00004 -0.00002 0.00000 -0.00002 0.00001 -0.00000 0.00001 -0.00001 0.00001 -0.00003 0.00002 -0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00001 0.00001 0.00000 -0.00005 0.00001 -0.00001 -0.00001 0.00003 0.00003 -0.00004 0.00001 0.00003 0.00002 -0.00003 0.00002 -0.00000 -0.00003 -0.00014 -0.00014 -0.00019 0.00004 0.00006 0.00001 0.00002 0.00004 0.00004 0.00002 0.00003 0.00004 0.00003 0.00004 0.00004 0.00004 0.00004 0.00007 0.00006 0.00007 0.00006 0.00006 0.00006 0.00005 0.00005 0.00005 0.00003 0.00003 0.00003 0.00008 0.00006 0.00009 0.00007 0.00016 0.00011 0.00017 0.00012 0.00014 0.00009 0.00012 0.00009 0.00012 0.00009 0.00012 0.00009 0.00004 -0.00003 0.00009 0.00003 0.00008 0.00007 0.00008 0.00014 0.00013 0.00014 0.00008 0.00007 0.00008 0.00002 0.00002 0.00002 -0.00002 -0.00004 -0.00007 0.00001 -0.00001 -0.00004 -0.00001 -0.00003 -0.00006 0.00003 0.00004 0.00006 0.00007 0.00010 0.00011 0.00010 -0.00007 0.00014 -0.00003 0.00014 -0.00003 -0.00010 -0.00000 -0.00012 -0.00002 -0.00012 -0.00013 -0.00013 -0.00011 -0.00012 -0.00012 -0.00006 0.00011 -0.00016 0.00001 -0.00035 -0.00031 -0.00035 -0.00024 -0.00020 -0.00024 0.00003 0.00004 -0.00000 0.00001 0.00005 0.00007 -0.00001 -0.00005 -0.00003 -0.00007 2.57029 2.74469 2.29767 2.31389 2.83027 2.89758 2.86540 2.87054 2.93552 2.81633 2.05472 2.77944 2.04583 2.06870 2.06958 2.05559 2.06601 2.06976 2.06920 2.53203 2.05456 2.84475 2.84491 2.89195 2.85623 2.06507 2.07317 2.07160 2.06097 2.07292 2.06491 2.07269 2.86858 2.06547 2.06193 2.55028 2.80899 2.78218 2.82972 2.06029 2.06915 2.07179 2.85591 2.07184 2.07113 2.51600 2.05718 2.05083 2.05188 2.03651 2.10054 2.04975 2.10352 1.99964 1.97407 2.14659 2.00648 2.13808 1.93160 1.99819 2.16397 2.02155 2.09038 2.01006 1.97567 1.92231 1.90922 1.97304 1.88019 1.88443 1.89213 1.95252 1.92117 1.93274 1.88405 1.88774 1.88351 2.18455 2.03154 2.06683 2.12994 1.92428 2.22867 2.15383 2.12234 2.00692 1.97659 1.87410 1.88577 1.83966 1.95890 1.92690 1.92803 1.92340 1.97448 1.85648 1.88841 1.88870 1.93386 1.95728 1.92957 1.89039 1.85933 1.89003 1.81806 1.94151 1.98096 1.91069 1.93043 1.88161 1.95064 2.09516 2.23663 1.91342 2.23821 2.13087 2.18544 2.19979 1.89795 1.96185 1.92412 1.91530 1.90376 1.89525 1.86056 2.00743 1.92260 1.89886 1.89196 1.88927 1.84673 2.21041 1.99358 2.07919 2.11132 2.13348 2.03838 0.01740 -3.09972 1.33190 -2.92778 -0.84928 0.01554 2.59723 -2.51058 0.07111 0.06659 -2.52792 2.51698 -0.07753 2.69664 -1.52318 0.58700 1.42385 -2.79597 -0.68580 -1.03581 1.02756 3.13773 -0.56907 1.52559 -2.67631 0.64313 2.73780 -1.46411 -3.13824 -1.04358 1.03770 0.02425 2.47414 -2.41868 0.03120 -2.62332 0.54342 -1.34331 1.82343 1.07578 -2.04066 -2.67060 0.49720 2.39899 -0.71640 -0.06352 3.10428 0.05323 -3.10394 -3.11397 0.01204 -2.05294 2.18384 0.06694 1.10329 -0.94311 -3.06001 2.13590 0.02122 -2.08998 -1.02005 -3.13472 1.03727 2.13586 0.07915 -2.04650 0.09205 -1.96466 2.19288 -2.00619 2.22029 0.09464 -2.18749 0.99241 -0.07537 3.10453 2.04381 -1.05948 3.05545 -0.08245 -1.14992 1.99537 0.92099 -2.21691 0.02342 -3.07874 3.12284 0.02068 3.13402 -1.02111 1.02305 0.03767 2.16573 -2.07329 -3.09849 0.03937 0.00654 -3.13878 1.44743 -0.69665 -2.71361 -1.65032 2.48879 0.47183 -0.07706 3.06920 2.08332 -1.05361 -2.20440 0.94185 -3.13870 0.00687 -0.00197 -3.13959 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000016 0.000004 0.001409 0.000238 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.128902e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 1 1 2 3 4 4 4 4 5 5 5 6 6 7 7 7 8 8 8 9 9 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 17 17 19 19 19 20 20 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 1.3601 1.4524 1.2159 1.2245 1.4977 1.5333 1.5163 1.519 1.5534 1.4903 1.0873 1.4708 1.0826 1.0947 1.0952 1.0878 1.0933 1.0953 1.095 1.3399 1.0872 1.5054 1.5055 1.5303 1.5115 1.0928 1.0971 1.0962 1.0906 1.0969 1.0927 1.0968 1.518 1.093 1.0911 1.3496 1.4865 1.4723 1.4974 1.0903 1.0949 1.0963 1.5113 1.0964 1.096 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 48 116.6858 120.3516 117.4422 120.5234 114.5716 113.105 122.992 114.9619 122.5023 110.6739 114.487 123.9838 115.8273 119.77 115.1666 113.1986 110.1407 109.3903 113.0472 107.7268 107.9697 108.4104 111.8717 110.0751 110.7377 107.948 108.159 107.9169 125.1665 116.3984 118.42 122.0389 110.2533 127.6906 123.4063 121.6004 114.9879 113.2474 107.3807 108.0489 105.4047 112.2352 110.4031 110.4685 110.2032 113.1299 106.3678 108.1971 108.2145 110.8019 112.1443 110.5569 108.3111 106.5314 108.2904 104.1676 111.2382 113.5014 109.4742 110.607 107.808 111.7635 120.043 128.1505 109.6307 128.2416 122.089 125.2167 126.0388 108.7441 112.4061 110.2447 109.7386 109.0772 108.5891 106.6024 115.0203 110.1563 108.7975 108.4019 108.245 105.808 126.6496 114.2228 119.127 120.9688 122.2413 116.7895 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0.9972 -177.5994 76.3205 -167.7411 -48.6495 0.8878 148.8067 -143.8458 4.0732 3.8132 -144.8417 144.2112 -4.4437 154.504 -87.2735 33.6303 81.5779 -160.1996 -39.2958 -59.3512 58.8713 179.775 -32.609 87.4068 -153.3448 36.8456 156.8613 -83.8903 -179.8099 -59.7941 59.4543 1.3851 141.7539 -138.5851 1.7837 -150.3146 31.1291 -76.9755 104.4682 61.6297 -116.9265 -153.0212 28.4822 137.445 -41.0515 -3.6464 177.857 3.0479 -177.8412 -178.4225 0.6884 -117.6295 125.1208 3.8308 63.206 -54.0437 -175.3337 122.3733 1.2117 -119.7512 -58.4456 -179.6071 59.4299 122.3769 4.537 -117.2518 5.2736 -112.5663 125.6449 -114.9453 127.2148 5.426 -125.3355 56.8588 -4.3217 177.8726 117.0959 -60.7099 175.0584 -4.7205 -65.8934 114.3277 52.7609 -127.018 1.3477 -176.3986 178.9321 1.1858 179.5732 -58.4977 58.6244 2.1649 124.094 -118.7839 -177.527 2.2496 0.3838 -179.8396 82.9516 -39.8971 -155.4584 -94.5427 142.6086 27.0473 -4.4167 175.8495 119.3658 -60.3681 -126.3059 53.9603 -179.8336 0.3968 -0.1115 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0515057822 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:.0027,.7696,-.1152;1.3408,-.6841,-1.1498;-3.689,-1.8644,.8356;3.5997,1.3644,-.4287;3.5672,.3799,.6877;2.2692,1.0458,.235;3.8897,.9115,-1.838;4.1411,2.7433,-.1325;3.8615,-1.0613,.4815;1.2063,.2738,-.4269;3.2822,-2.0756,1.1273;-1.1401,.1267,-.6805;2.1759,-1.9033,2.121;3.6954,-3.4938,.8773;-1.5127,-1.1868,-.0028;-2.3218,1.0335,-.4595;-3.3452,.3882,.1197;-2.9629,-1.0046,.3839;-2.2745,2.4407,-.9237;-4.7118,.8978,.4193;-5.7173,.6315,-.6635;-5.4755,.0887,-1.8502;3.8972,.769,1.6483;1.8943,1.8175,.8974;3.4108,1.5751,-2.5609;4.9656,.9551,-2.0201;3.564,-.1026,-2.0527;3.9281,3.0562,.8907;5.2248,2.7657,-.266;3.7099,3.488,-.8047;4.6493,-1.291,-.231;-.987,-.008,-1.756;2.4528,-2.3353,3.0866;1.2801,-2.4391,1.7944;1.9023,-.8634,2.291;4.0365,-3.974,1.7983;4.4982,-3.5656,.1433;2.853,-4.0885,.5137;-.9197,-1.358,.8999;-1.3851,-2.0579,-.6455;-3.242,2.934,-.8549;-1.5574,3.0206,-.3383;-1.9401,2.4889,-1.9624;-4.6866,1.9733,.6167;-5.0756,.4464,1.3476;-6.7334,.9269,-.4194;-6.2753,-.0574,-2.565;-4.4874,-.2295,-2.1611; 0.000000 2.230253 0.000000 4.633583 5.534742 0.000000 3.659329 3.133565 8.071465 0.000000 3.674544 3.076599 7.596771 1.488825 0.000000 2.309966 2.402579 6.658054 1.520633 1.527507 0.000000 4.254067 3.084871 8.502345 1.508467 2.601086 2.634700 0.000000 4.584982 4.541328 9.136607 1.510684 2.566689 2.553523 2.515475 0.000000 4.312579 3.026093 7.601296 2.604040 1.485328 2.652593 3.045076 3.864000 0.000000 1.338551 1.207525 5.489052 2.630178 2.612947 1.471045 3.098105 3.846821 3.107657 0.000000 4.515940 3.300069 6.980487 3.788825 2.510714 3.400802 4.252546 5.054345 1.334659 3.499190 0.000000 1.427911 2.651842 3.572104 4.905227 4.908669 3.647788 5.220575 5.919267 5.270427 2.364664 5.260706 0.000000 4.107018 3.589145 6.004218 4.382460 3.033653 3.501852 5.151067 5.525515 2.497622 3.488804 1.497001 4.792233 0.000000 5.726884 4.189003 7.562104 5.031594 3.880439 4.801545 5.178502 6.334047 2.470068 4.700116 1.498193 6.238321 2.526877 0.000000 2.477177 3.116213 2.428610 5.729490 5.360702 4.398183 6.079211 6.886787 5.397446 3.115502 5.005858 1.524262 4.316258 5.763801 0.000000 2.364611 4.103762 3.456071 5.930806 6.035190 4.643213 6.363762 6.693168 6.595934 3.609111 6.602194 1.505835 5.959296 7.647857 2.406820 0.000000 3.377736 4.971907 2.388487 7.034612 6.935740 5.653961 7.513341 7.852036 7.359924 4.585669 7.142010 2.360361 6.303910 8.075513 2.419406 1.341393 0.000000 3.491647 4.580026 1.212598 7.024285 6.682184 5.621498 7.454290 8.048603 6.825311 4.435561 6.379731 2.394910 5.498407 7.125451 1.511857 2.297054 1.468320 0.000000 2.938020 4.783890 4.861059 5.992462 6.400701 4.892155 6.416515 6.471206 7.203379 4.130174 7.448498 2.588569 6.924357 8.608208 3.819291 1.482542 2.539278 3.748895 0.000000 4.746420 6.449658 2.974789 8.367671 8.299543 6.984976 8.892761 9.059978 8.794501 6.010792 8.558428 3.815932 7.627776 9.496151 3.841583 2.550081 1.488972 2.584431 3.181911 0.000000 5.747927 7.196144 3.548457 9.348795 9.385755 8.047595 9.682620 10.096022 9.794430 6.936945 9.567016 4.605045 8.745452 10.391933 4.628359 3.425368 2.509912 3.370654 3.897965 1.501511 0.000000 5.786607 6.895635 3.770920 9.274068 9.396645 8.077433 9.401316 10.123054 9.692206 6.834256 9.499866 4.490598 8.847766 10.216605 4.554489 3.573908 2.916888 3.535518 4.078873 2.527531 1.327131 0.000000 4.275138 4.059076 8.071246 2.180986 1.087692 2.173534 3.489203 2.669935 2.170949 3.434032 2.956588 5.586618 3.213669 4.336700 5.984854 6.571769 7.411749 7.197582 6.891944 8.697213 9.889521 10.027457 0.000000 2.387816 3.279553 6.688283 2.207307 2.215730 1.083858 3.504991 2.639268 3.511494 2.147166 4.139483 3.815286 3.926979 5.608430 4.630769 4.497902 5.486377 5.640970 4.591662 6.686917 7.860037 8.053099 2.382164 0.000000 4.271463 3.373409 8.589104 2.150881 3.464961 3.066013 1.091899 2.791945 4.050836 3.332670 5.190945 5.132641 5.961849 6.131499 6.197788 6.129540 7.364621 7.480013 5.979301 8.678501 9.370867 9.037774 4.313136 3.783921 0.000000 5.319145 4.072301 9.539703 2.136742 3.101334 3.516296 1.092050 2.727710 3.397456 4.139364 4.682366 6.305545 5.753362 5.459039 7.115170 7.452981 8.600537 8.513554 7.471776 9.980244 10.773572 10.478381 3.825308 4.322975 1.759008 0.000000 4.146981 2.469041 8.003258 2.188751 2.782502 2.868625 1.086444 3.481235 2.725714 2.888482 3.752900 4.905494 4.752781 4.483593 5.581294 6.202512 7.259291 7.025047 6.467666 8.694840 9.413408 9.043835 3.816776 3.895831 1.759573 1.756168 0.000000 4.652923 4.984777 9.068395 2.170431 2.708182 2.687687 3.470908 1.090948 4.138366 4.109312 5.177683 6.061192 5.401938 6.554169 6.957332 6.706404 7.785537 8.014597 6.491785 8.917925 10.066288 10.234634 2.409587 2.381375 3.791386 3.736761 4.332868 0.000000 5.592588 5.269455 10.104721 2.151903 3.057593 3.456044 2.773366 1.092123 4.130736 4.731086 5.399268 6.902706 6.065677 6.544230 7.815672 7.745180 8.901992 9.037429 7.535022 10.133774 11.155360 11.143245 3.068140 3.653001 3.158202 2.534149 3.765209 1.761698 0.000000 4.648538 4.810257 9.278056 2.159464 3.450805 3.020100 2.781884 1.091901 4.730085 4.091708 5.904990 5.902256 6.322908 7.181589 7.054983 6.521116 7.761324 8.131611 6.076501 8.895628 9.851525 9.849924 3.666736 2.997336 2.614031 3.077268 3.804090 1.763032 1.762593 0.000000 5.084277 3.486911 8.425696 2.862152 2.192417 3.367908 2.830241 4.067427 1.086702 3.786915 2.080666 5.977331 3.467569 2.643941 6.167086 7.351921 8.176441 7.642310 7.895798 9.635511 10.552239 10.345846 2.888112 4.304193 3.895693 2.888948 2.430783 4.547161 4.097446 4.904164 0.000000 2.067909 2.498596 4.178910 4.968199 5.182915 3.959453 4.963280 6.041696 5.442710 2.579974 5.551032 1.094568 5.350409 6.403858 2.177038 2.132403 3.039117 3.078416 2.889035 4.407543 4.896816 4.490584 6.003976 4.321408 4.742828 6.035754 4.561633 6.368093 6.964104 5.931944 5.978188 0.000000 5.088628 4.680782 6.558184 5.230674 3.790597 4.426826 6.071014 6.245391 3.223961 4.550334 2.143404 5.758587 1.093431 2.786930 5.156421 6.835200 7.059515 6.197148 7.825560 8.300536 9.466612 9.649116 3.713712 4.727596 6.935548 6.574076 5.712404 6.005562 6.703955 7.115678 4.113517 6.379524 0.000000 3.946321 3.428099 5.093249 4.978854 3.795013 3.943897 5.588402 6.225362 3.207101 3.507026 2.141417 4.308802 1.093691 2.790544 3.549377 5.487471 5.673767 4.695748 6.620815 6.994901 8.027108 8.081523 4.142742 4.393212 6.294543 6.297094 5.047323 6.166591 6.847962 6.912990 4.095285 4.863617 1.748044 0.000000 3.473406 3.490896 5.863661 3.903924 2.624520 2.829575 4.914071 4.888099 2.674300 3.027299 2.174338 4.366515 1.088694 3.483204 4.126567 5.385747 5.815287 5.227531 6.220661 7.095884 8.308023 8.513998 2.656556 3.021478 5.635753 5.592459 4.712464 4.629036 5.544962 5.637822 3.753512 5.045529 1.761395 1.765363 0.000000 6.514165 5.175100 8.065968 5.800777 4.517762 5.546717 6.091966 6.990123 3.201332 5.568233 2.150190 7.053890 2.802428 1.093243 6.465788 8.402403 8.737053 7.733624 9.401393 10.107866 11.063864 10.967918 4.747483 6.240401 7.084208 6.303938 5.481010 7.089418 7.148194 7.909762 3.419358 7.321009 2.617851 3.154956 3.804412 0.000000 6.250571 4.465889 8.390643 5.043728 4.090208 5.122698 4.933508 6.325029 2.605970 5.089412 2.160322 6.789818 3.473809 1.090161 6.466151 8.247827 8.783606 7.892023 9.114979 10.238257 11.073567 10.807515 4.627666 6.027169 5.909388 5.033415 4.205640 6.688189 6.385923 7.160548 2.310092 6.808113 3.789486 3.788318 4.318926 1.766102 0.000000 5.667524 4.079726 6.917244 5.583906 4.528462 5.174951 5.621814 6.982172 3.190913 4.756682 2.147719 5.927831 2.795889 1.093374 5.267520 7.345804 7.656010 6.584241 8.425454 9.060865 9.854765 9.612587 5.096419 5.995645 6.468385 6.026696 4.793704 7.235005 7.294703 7.737985 3.406893 6.045461 3.139068 2.614404 3.803187 1.750394 1.765551 0.000000 2.531353 3.124947 2.815919 5.440758 4.816406 4.048392 5.981392 6.595306 4.808627 2.990525 4.268815 2.179627 3.372130 5.085392 1.093585 3.087584 3.088865 2.136764 4.426194 4.438440 5.424034 5.514665 5.318524 4.242938 6.271615 6.965164 5.513413 6.556448 7.491215 6.915412 5.683021 2.980064 4.136451 2.609199 3.184878 5.675773 5.899107 4.673169 0.000000 3.194049 3.093910 2.745713 6.050469 5.678583 4.874708 6.169528 7.338524 5.458066 3.492882 4.992757 2.198558 4.512080 5.494793 1.090070 3.235525 3.226571 2.158347 4.594102 4.575669 5.099156 4.773901 6.415320 5.306068 6.314109 7.162362 5.504327 7.532950 8.191556 7.532749 6.097045 2.365087 5.360549 3.633490 4.567003 6.248038 6.124454 4.840399 1.759268 0.000000 3.969903 5.846329 5.107118 7.032373 7.434284 5.926743 7.477850 7.420742 8.258815 5.200731 8.461116 3.511356 7.849188 9.614821 4.549457 2.148296 2.727971 4.138332 1.088198 2.816034 3.386079 3.751718 7.868982 5.540626 7.001186 8.522781 7.548315 7.380564 8.488862 6.974108 8.972846 3.814780 8.702387 7.505884 7.126061 10.379637 10.156357 9.398864 5.185947 5.330209 0.000000 2.747894 4.773147 5.457517 5.417316 5.855595 4.344116 6.030668 5.708934 6.833639 3.897592 7.179199 2.943820 6.650622 8.456182 4.220960 2.132473 3.214873 4.324273 1.092307 3.876850 4.808142 5.121865 6.226450 3.858582 5.631416 7.045875 6.238783 5.621666 6.787362 5.308568 7.558071 3.392296 7.516434 6.512113 5.828200 9.207681 8.959913 8.409370 4.594765 5.090696 1.764121 0.000000 3.184764 4.635985 5.462468 5.857153 6.465392 4.962771 6.040726 6.355581 7.227358 4.142983 7.592952 2.804136 7.273722 8.695698 4.187268 2.126597 3.274485 4.330828 1.092234 3.985730 4.405040 4.274697 7.075913 4.830271 5.461264 7.074191 6.084325 6.549651 7.368123 5.853292 7.791340 2.680598 8.249970 6.983396 6.640240 9.572434 9.085260 8.506907 4.902309 4.766072 1.766211 1.751234 0.000000 4.896284 6.819878 3.971252 8.374111 8.406474 7.027667 8.983595 8.892742 9.071720 6.221208 8.952954 4.203579 8.024011 10.010689 4.521381 2.762889 2.135113 3.448648 2.899874 1.093705 2.121713 3.203033 8.728976 6.588680 8.707601 10.057469 8.916626 8.686823 9.982035 8.649575 9.926302 4.820958 8.696819 7.513780 7.366358 10.623470 10.736039 9.674788 5.036553 5.361237 2.274936 3.435129 3.802659 0.000000 5.294619 6.977450 2.743136 8.902726 8.668210 7.452687 9.525785 9.613148 9.104650 6.530016 8.732809 4.438892 7.661842 9.626866 4.145475 3.345720 2.122594 2.738210 4.120931 1.094488 2.119176 3.242508 8.983584 7.117698 9.411085 10.603061 9.300852 9.385445 10.680790 9.542964 10.004153 5.153190 8.212093 6.994316 7.162160 10.137716 10.450060 9.171932 4.552773 4.885054 3.794903 4.673937 4.995883 1.736911 0.000000 6.744823 8.265678 4.316869 10.342400 10.374404 9.027149 10.717427 11.028864 10.817429 7.966567 10.569791 5.656311 9.687136 11.401069 5.647738 4.413121 3.472871 4.311985 4.735822 2.188904 1.085921 2.081314 10.830984 8.772958 10.388018 11.808023 10.476847 10.950769 12.099688 10.759682 11.598276 5.973434 10.359580 8.969259 9.226461 12.038624 12.109837 10.859354 6.384432 6.128969 4.050715 5.583986 5.272223 2.521518 2.470199 0.000000 6.789629 7.771781 4.638838 10.203034 10.375304 9.059029 10.236942 11.057211 10.632200 7.788199 10.442830 5.473172 9.838169 11.093848 5.524735 4.610172 3.998943 4.534937 4.994119 3.501853 2.097981 1.082582 11.041498 9.068968 9.822727 11.299562 9.852771 11.213701 12.062618 10.741214 11.239029 5.350103 10.644679 9.042194 9.544839 11.862195 11.649488 10.442953 6.509996 5.621400 4.590668 6.057297 5.063699 4.095206 4.123334 2.404592 0.000000 5.034398 5.932721 3.505823 8.422809 8.565291 7.281467 8.460633 9.348986 8.796540 5.973217 8.636470 3.677430 8.095556 9.319099 3.797812 3.029966 2.624537 3.066300 3.682193 2.824842 2.120601 1.083666 9.263377 7.366895 8.111605 9.527979 8.053156 9.535788 10.338702 9.102545 9.398443 3.530760 8.952034 7.334330 7.813547 10.117058 9.858006 8.713695 4.834461 3.906903 3.642182 4.740349 3.730721 3.550783 3.621348 3.068440 1.841029 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:-.1121,-.7241,-.2602;1.2402,.0982,1.3112;-3.5297,2.4047,-.2893;3.4008,-1.725,-.0404;3.5217,-.3926,-.6936;2.15,-1.0566,-.5891;3.6129,-1.8687,1.4462;3.8667,-2.9329,-.8189;3.8981,.829,.0628;1.0955,-.4975,.2709;3.4413,2.0614,-.1692;-1.2476,-.2399,.4575;2.4049,2.382,-1.2007;3.9311,3.2343,.624;-1.4758,1.2609,.3201;-2.4687,-.8814,-.1466;-3.3979,.0274,-.4784;-2.9013,1.3744,-.1706;-2.5543,-2.3574,-.2565;-4.7696,-.2014,-1.0107;-5.8341,-.2728,.0458;-5.6467,-.2448,1.3593;3.8964,-.4178,-1.7144;1.7745,-1.4814,-1.5128;3.0355,-2.709,1.837;4.6661,-2.0779,1.6449;3.3425,-.986,2.019;3.7115,-2.8137,-1.8921;4.9329,-3.1048,-.6564;3.3351,-3.8331,-.5038;4.6432,.6974,.8429;-1.1682,-.5375,1.5079;2.7839,3.1197,-1.9133;1.5259,2.835,-.7335;2.0739,1.5142,-1.7688;4.3739,3.9936,-.0261;4.6785,2.9477,1.3641;3.1065,3.7225,1.1504;-.8052,1.7053,-.4206;-1.3379,1.8077,1.2529;-3.5454,-2.6956,-.5521;-1.8364,-2.7363,-.9874;-2.3043,-2.8262,.6978;-4.8036,-1.1193,-1.6044;-5.0293,.5997,-1.7098;-6.8465,-.3578,-.3376;-6.4868,-.3067,2.0394;-4.6657,-.1614,1.8119; 0.5052124 0.1416188 0.1205716 -19.17332 -19.11659 -19.11326 -10.30515 -10.26041 -10.24124 -10.20386 -10.19308 -10.18459 -10.18234 -10.18175 -10.17648 -10.17620 -10.17454 -10.17184 -10.16834 -10.15802 -10.15601 -10.15547 -10.15385 -10.15288 -10.15269 -1.12312 -1.05323 -1.03110 -0.88894 -0.87463 -0.80763 -0.80505 -0.76197 -0.74874 -0.73286 -0.70959 -0.69313 -0.68797 -0.68038 -0.67454 -0.63202 -0.58168 -0.56610 -0.56155 -0.55330 -0.52658 -0.51443 -0.50049 -0.49471 -0.48183 -0.47248 -0.46932 -0.46422 -0.46211 -0.45079 -0.44366 -0.43445 -0.42873 -0.42364 -0.42189 -0.41867 -0.40926 -0.40195 -0.39556 -0.39217 -0.39122 -0.38378 -0.38151 -0.37905 -0.37630 -0.36638 -0.36556 -0.36151 -0.35220 -0.35045 -0.34133 -0.33126 -0.31919 -0.30029 -0.28844 -0.28262 -0.26794 -0.26677 -0.25779 -0.23262 -0.05611 -0.01247 0.00176 0.00320 0.01018 0.01396 0.01799 0.02162 0.02339 0.03049 0.03280 0.03663 0.04014 0.04330 0.04784 0.05149 0.05252 0.05670 0.05974 0.06319 0.06397 0.07048 0.07225 0.07299 0.07705 0.08029 0.08193 0.08963 0.09113 0.09366 0.09757 0.10176 0.10425 0.10494 0.10601 0.11427 0.11763 0.12040 0.12400 0.12752 0.13015 0.13331 0.13423 0.13539 0.13936 0.14333 0.14480 0.14842 0.15176 0.15410 0.15633 0.16011 0.16206 0.16567 0.16700 0.17129 0.17419 0.17792 0.17898 0.18428 0.18697 0.18819 0.19379 0.19477 0.19556 0.20244 0.20391 0.20508 0.20578 0.20611 0.20976 0.21341 0.21570 0.21821 0.21899 0.22189 0.22433 0.22727 0.23097 0.23371 0.23421 0.24025 0.24103 0.24304 0.24882 0.24960 0.25493 0.25623 0.25726 0.25895 0.26259 0.26671 0.26850 0.27025 0.27277 0.27591 0.28136 0.28456 0.28475 0.29014 0.29450 0.29765 0.30164 0.30258 0.30717 0.31138 0.31270 0.31760 0.31946 0.32378 0.32769 0.33387 0.33426 0.33764 0.34222 0.34946 0.35060 0.35481 0.35804 0.35981 0.36841 0.37401 0.37623 0.38228 0.38893 0.39048 0.39793 0.40310 0.40466 0.41417 0.41743 0.42181 0.43313 0.43505 0.44177 0.44437 0.45313 0.45752 0.46053 0.46784 0.46822 0.47829 0.48529 0.49494 0.49706 0.50150 0.50445 0.51576 0.52406 0.53244 0.53975 0.54212 0.54727 0.55140 0.55789 0.56701 0.57357 0.57917 0.58309 0.58576 0.59012 0.59374 0.60006 0.60436 0.60860 0.61224 0.62092 0.62327 0.62637 0.63066 0.63768 0.64756 0.64789 0.65679 0.65943 0.66334 0.66539 0.66858 0.67477 0.67537 0.67933 0.68647 0.69189 0.69659 0.69807 0.69941 0.70504 0.70804 0.70866 0.71515 0.71578 0.72106 0.72351 0.72861 0.73203 0.73803 0.74282 0.74551 0.75090 0.75659 0.76606 0.77117 0.77520 0.77811 0.78187 0.78976 0.79322 0.79838 0.80396 0.81086 0.81331 0.82043 0.82441 0.83255 0.84602 0.84708 0.86116 0.86245 0.87173 0.88096 0.88498 0.90093 0.90398 0.92836 0.93376 0.94063 0.94450 0.94924 0.95284 0.97327 0.99199 0.99953 1.00922 1.01142 1.03614 1.03780 1.05699 1.07127 1.08318 1.10656 1.11169 1.11241 1.11770 1.12561 1.12996 1.13557 1.14220 1.15551 1.16878 1.18307 1.19684 1.20090 1.20982 1.22877 1.23751 1.25560 1.26135 1.29562 1.29858 1.30002 1.31603 1.32557 1.33980 1.34599 1.35038 1.36645 1.37171 1.38026 1.39125 1.40457 1.41730 1.42484 1.43651 1.44138 1.44863 1.45271 1.45628 1.46164 1.46978 1.47420 1.48359 1.48585 1.49170 1.49795 1.50692 1.51002 1.51917 1.52196 1.52567 1.53461 1.54290 1.54964 1.55660 1.57006 1.57564 1.58304 1.58468 1.60028 1.60199 1.61129 1.61748 1.62112 1.62751 1.63556 1.64152 1.64247 1.64877 1.65561 1.65955 1.66504 1.67079 1.67484 1.68648 1.69097 1.70013 1.70592 1.71510 1.72270 1.72581 1.72976 1.73396 1.73908 1.74340 1.74762 1.75056 1.76092 1.77293 1.77790 1.78856 1.79277 1.80787 1.82335 1.82529 1.82670 1.83794 1.84267 1.85328 1.85792 1.86606 1.87257 1.88141 1.89142 1.89886 1.90587 1.92070 1.92712 1.93415 1.94560 1.96303 1.97073 1.97616 1.98536 1.99210 2.00598 2.00955 2.02341 2.04010 2.04582 2.05941 2.06729 2.07642 2.08384 2.09914 2.10384 2.10929 2.13006 2.13354 2.13535 2.15154 2.16631 2.17365 2.18448 2.18662 2.19513 2.19743 2.20660 2.21127 2.23391 2.23561 2.25342 2.26972 2.27084 2.29000 2.30981 2.31258 2.33657 2.35301 2.37363 2.39383 2.39652 2.40151 2.42774 2.44691 2.45039 2.46239 2.46551 2.47617 2.48470 2.48794 2.50073 2.50388 2.50758 2.51459 2.52710 2.53006 2.53890 2.54507 2.55157 2.55437 2.56170 2.56838 2.57843 2.58162 2.58943 2.59109 2.60047 2.60218 2.61463 2.62349 2.62928 2.64406 2.64872 2.65435 2.66233 2.67665 2.68045 2.68487 2.69183 2.69479 2.70689 2.72834 2.75077 2.75538 2.75954 2.76617 2.77048 2.77872 2.78572 2.80918 2.81737 2.82142 2.83251 2.83444 2.84853 2.85634 2.87887 2.88620 2.89508 2.89703 2.89901 2.91388 2.92195 2.93854 2.94659 2.95132 2.95246 2.95897 2.98093 2.98463 3.00382 3.01569 3.02937 3.03706 3.07039 3.09471 3.10550 3.10626 3.13106 3.13521 3.14987 3.16663 3.17772 3.19624 3.20606 3.21271 3.25190 3.25918 3.26670 3.27216 3.29703 3.30265 3.34053 3.35853 3.38283 3.39733 3.40601 3.48713 3.51457 3.54467 3.57130 3.61862 3.63748 3.65618 3.70139 3.70520 3.72665 3.78175 3.78291 3.78832 3.80616 3.81727 3.81968 3.83194 3.84954 3.85194 3.85616 3.86202 3.87581 3.88591 3.90219 3.95011 4.00102 4.05284 4.08920 4.13417 4.20652 4.23404 4.28770 4.30028 4.31369 4.32889 4.35434 4.45987 4.55146 4.60953 4.64388 5.08664 5.11863 5.16008 5.23070 5.32952 5.43807 5.70252 5.75689 5.93864 23.66374 23.72814 23.78440 23.83971 23.85326 23.89811 23.90765 23.91214 23.93060 23.96229 23.96802 23.97389 23.99737 24.01049 24.01653 24.01958 24.23968 24.29269 24.29410 49.94231 50.03694 50.05834 1-A. 2.2051 -5.7691 -2.0275 6.5005 -135.4899 -137.6894 -132.7838 16.4190 -2.3285 1.2569 -0.1688 -2.3684 2.5372 16.4190 -2.3285 1.2569 22.8768 -33.7943 -5.6251 62.0633 -89.0717 -16.8348 -12.3333 -2.6106 0.2705 -7.2692 -9319.8921 -2515.2781 -713.0833 217.8854 151.6780 147.7345 5.3274 -20.9351 4.5792 -2157.2382 -1628.2556 -520.8479 39.3884 -1.3346 -6.5890 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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:.0271,.8263,-.2291;1.4053,-.5082,-1.4134;-3.4203,-2.0725,.8426;3.7157,1.3833,-.4602;3.5447,.4025,.6587;2.3052,1.1492,.0938;4.0868,.9033,-1.8498;4.3116,2.7381,-.1186;3.7418,-1.0649,.4888;1.2586,.3959,-.6137;3.1086,-2.0149,1.1901;-1.1141,.1366,-.8048;2.0474,-1.7192,2.2161;3.4049,-3.4766,.9848;-1.3696,-1.2359,-.178;-2.3437,.9571,-.4894;-3.2874,.2238,.1374;-2.7931,-1.1479,.3416;-2.418,2.3798,-.9137;-4.6651,.6424,.5486;-5.7083,.5672,-.5423;-5.5016,.2518,-1.8192;3.8045,.781,1.6444;1.9114,1.9332,.728;3.7399,1.6198,-2.6012;5.1767,.8353,-1.932;3.6627,-.0687,-2.092;4.0344,3.063,.8879;5.4047,2.6915,-.169;3.9739,3.5004,-.8284;4.4771,-1.3714,-.2511;-.9633,.0762,-1.8854;2.3679,-2.0593,3.2086;1.1299,-2.2715,1.9817;1.7995,-.6592,2.2828;3.7255,-3.9447,1.9236;4.1851,-3.6376,.237;2.503,-4.0108,.6619;-.6882,-1.4234,.6558;-1.2687,-2.062,-.8836;-3.3599,2.8496,-.6295;-1.5891,2.9485,-.4795;-2.308,2.4477,-2.0024;-4.6476,1.6661,.9408;-4.9928,.0093,1.3811;-6.7178,.8057,-.2121;-6.3226,.2284,-2.5285;-4.5165,.0036,-2.2024; 0.000000 2.254529 0.000000 4.629977 5.551847 0.000000 3.737543 3.134395 8.035076 0.000000 3.652588 3.114541 7.393986 1.497716 0.000000 2.323420 2.414213 6.612258 1.533320 1.553404 0.000000 4.371918 3.061591 8.512420 1.516304 2.614847 2.648002 0.000000 4.693028 4.545582 9.156939 1.519026 2.578283 2.568185 2.532653 0.000000 4.229786 3.063928 7.241258 2.625859 1.490341 2.668735 3.076056 3.893202 0.000000 1.360126 1.215876 5.486965 2.652460 2.616342 1.470819 3.127890 3.879697 3.084720 0.000000 4.425224 3.456883 6.538375 3.826255 2.513305 3.443723 4.326011 5.074632 1.339898 3.533880 0.000000 1.452402 2.670868 3.593465 4.999987 4.890523 3.677566 5.359967 6.056199 5.166902 2.394526 5.142008 0.000000 4.066960 3.879692 5.648592 4.423938 3.028045 3.577497 5.250546 5.517746 2.506502 3.619882 1.505377 4.750244 0.000000 5.603430 4.308313 6.969572 5.079704 3.895311 4.837495 5.261542 6.376734 2.485093 4.707230 1.505459 6.056387 2.539142 0.000000 2.491190 3.123355 2.438705 5.727073 5.247323 4.389351 6.094479 6.933426 5.157469 3.124103 4.746827 1.530347 4.200065 5.400769 0.000000 2.388615 4.129836 3.480294 6.074398 6.024860 4.689266 6.573009 6.899479 6.486791 3.647910 6.432831 1.511452 5.810668 7.407944 2.419773 0.000000 3.388679 4.996174 2.405846 7.123508 6.854267 5.668803 7.667405 8.008280 7.154941 4.610880 6.857717 2.370318 6.046110 7.693986 2.430683 1.349559 0.000000 3.489553 4.595188 1.224452 7.029527 6.532392 5.597412 7.506189 8.111143 6.537057 4.439912 6.025067 2.404875 5.222063 6.652185 1.517987 2.307369 1.472277 0.000000 2.976619 4.817395 4.890084 6.230580 6.475764 4.983743 6.735575 6.785871 7.195523 4.188478 7.367671 2.596855 6.821775 8.473939 3.835852 1.486454 2.551324 3.763192 0.000000 4.759716 6.482445 3.001112 8.473672 8.213985 7.003443 9.078275 9.242194 8.578640 6.041688 8.240272 3.833613 7.308484 9.070846 3.862156 2.562293 1.497428 2.598508 3.194761 0.000000 5.749743 7.246895 3.757744 9.459566 9.332027 8.059713 9.887647 10.261141 9.645199 6.969379 9.349062 4.621728 8.543156 10.086304 4.712542 3.387513 2.537822 3.495844 3.774894 1.511288 0.000000 5.781420 6.960379 4.101138 9.385374 9.380730 8.087695 9.610538 10.265160 9.617704 6.868385 9.398346 4.504676 8.783771 10.054289 4.688316 3.498301 2.954955 3.736867 3.854505 2.541419 1.331408 0.000000 4.216739 4.094935 7.809188 2.190865 1.087313 2.188135 3.507709 2.682477 2.178691 3.424737 2.916821 5.532324 3.108917 4.326858 5.844644 6.510339 7.271609 6.996166 6.915144 8.541269 9.763194 9.943833 0.000000 2.385801 3.286712 6.669849 2.229233 2.239512 1.082607 3.526757 2.669370 3.520838 2.142390 4.151474 3.838132 3.946280 5.618063 4.650716 4.532221 5.504427 5.636980 4.651706 6.704373 7.844718 8.016762 2.398152 0.000000 4.476778 3.374897 8.761410 2.154224 3.485313 3.089150 1.094712 2.782294 4.093453 3.406580 5.290059 5.384099 6.100852 6.240660 6.335110 6.473703 7.670187 7.681217 6.429963 9.028846 9.727031 9.374877 4.328189 3.811222 0.000000 5.423918 4.037100 9.490194 2.145051 3.092379 3.528164 1.095175 2.767226 3.395660 4.157220 4.706298 6.429143 5.790105 5.499119 7.086649 7.658513 8.734874 8.521820 7.816769 10.151440 10.976649 10.694878 3.830991 4.352385 1.768582 0.000000 4.182014 2.397873 7.924443 2.184919 2.793278 2.846680 1.087773 3.491950 2.767528 2.860188 3.855816 4.951501 4.888044 4.598606 5.509040 6.300599 7.304781 6.983202 6.660200 8.765293 9.519530 9.173988 3.834381 3.876478 1.765333 1.770632 0.000000 4.723174 4.996127 9.052506 2.177167 2.714846 2.698728 3.487358 1.093285 4.157475 4.131916 5.170482 6.159173 5.346201 6.570536 6.987043 6.856455 7.888733 8.040177 6.733848 9.036264 10.158399 10.303652 2.415115 2.410125 3.787230 3.770796 4.338762 0.000000 5.692256 5.270932 10.079759 2.156206 3.063427 3.472035 2.785652 1.095271 4.160445 4.760035 5.410239 7.030463 6.034520 6.586104 7.830453 7.946640 9.040843 9.066812 7.864254 10.301206 11.320395 11.297071 3.082114 3.685501 3.136247 2.570119 3.788308 1.769995 0.000000 4.804866 4.796749 9.408705 2.164331 3.463035 3.027031 2.793015 1.094977 4.757221 4.129944 5.936515 6.099426 6.342281 7.231191 7.169907 6.818686 8.024626 8.292632 6.489862 9.202995 10.120735 10.065756 3.679478 3.021920 2.595053 3.125286 3.798932 1.772124 1.771013 0.000000 4.963166 3.395913 8.003525 2.865672 2.200914 3.345077 2.807616 4.115043 1.087228 3.689614 2.089029 5.817423 3.480135 2.666235 5.848656 7.211231 7.936147 7.297726 7.877336 9.395395 10.372271 10.230717 2.945857 4.296738 3.874837 2.860925 2.397748 4.599709 4.168344 4.931667 0.000000 2.070547 2.484865 4.253938 5.062918 5.186686 3.968883 5.117535 6.167113 5.392326 2.580054 5.514742 1.092789 5.395377 6.319975 2.191303 2.151816 3.084628 3.131509 2.892572 4.466312 4.955754 4.542138 5.974012 4.306180 5.001564 6.187022 4.632944 6.448969 7.094987 6.100712 5.862147 0.000000 5.062039 4.969489 6.253165 5.208432 3.734571 4.472195 6.108924 6.153308 3.205230 4.676405 2.150530 5.749294 1.097076 2.833613 5.110402 6.706248 6.828419 5.973826 7.720357 7.989838 9.283984 9.620254 3.546477 4.722476 7.012312 6.534072 5.808209 5.865187 6.572722 7.055938 4.109884 6.450352 0.000000 3.962407 3.835656 4.694813 5.099723 3.838261 4.080104 5.788238 6.295373 3.241414 3.724003 2.146566 4.312721 1.096243 2.760757 3.461818 5.347570 5.398159 4.397965 6.527300 6.642719 7.822318 8.049237 4.072505 4.456751 6.554284 6.430184 5.278554 6.171691 6.894372 7.021415 4.123046 4.984803 1.755890 0.000000 3.414404 3.720257 5.596288 3.920138 2.609689 2.884098 4.975086 4.859972 2.674937 3.129824 2.178405 4.319276 1.090616 3.492777 4.053563 5.240636 5.590988 5.009925 6.102523 6.818540 8.114932 8.423936 2.549836 3.025015 5.728263 5.603913 4.791554 4.560181 5.498779 5.631136 3.754606 5.054562 1.772094 1.771612 0.000000 6.409016 5.322515 7.465680 5.836992 4.531120 5.595859 6.154084 7.012465 3.217474 5.600406 2.154680 6.893760 2.802594 1.096945 6.141202 8.166162 8.351501 7.267538 9.262419 9.660934 10.744008 10.805493 4.734589 6.266621 7.172094 6.310387 5.581464 7.090566 7.158129 7.941350 3.451961 7.256853 2.655011 3.088739 3.825279 0.000000 6.118269 4.499400 7.788378 5.090775 4.112255 5.144717 4.998422 6.386908 2.622718 5.055401 2.168077 6.588798 3.488143 1.092705 6.065877 8.016525 8.411810 7.409800 9.007447 9.835702 10.778046 10.638962 4.652915 6.036970 5.991187 5.069027 4.293491 6.733826 6.458359 7.220167 2.336441 6.693532 3.824149 3.774262 4.329809 1.774953 0.000000 5.506482 4.216596 6.234983 5.641396 4.534535 5.194892 5.741494 7.030483 3.200358 4.753320 2.151517 5.695226 2.806122 1.096818 4.837556 7.035325 7.192697 6.028857 8.218128 8.546669 9.477979 9.402039 5.061610 5.973708 6.624282 6.112413 4.946556 7.241124 7.350582 7.797538 3.419993 5.933563 3.211323 2.579250 3.788806 1.758121 1.774618 0.000000 2.521098 3.082497 2.814380 5.340133 4.609915 3.986797 5.872990 6.551052 4.447581 2.951558 3.879551 2.179092 3.163105 4.591006 1.093000 3.117543 3.120516 2.145974 4.463155 4.482659 5.531603 5.665722 5.101073 4.246196 6.283110 6.796778 5.321288 6.517973 7.398441 6.941273 5.244539 2.963488 4.032530 2.404750 3.069193 5.238832 5.369122 4.108321 0.000000 3.232658 3.137679 2.758544 6.073996 5.623296 4.903055 6.197395 7.400463 5.289837 3.535760 4.843869 2.205508 4.552120 5.228236 1.091128 3.228991 3.215996 2.158877 4.588215 4.571712 5.170979 4.913909 6.341200 5.354684 6.449191 7.144050 5.454571 7.584601 8.224460 7.643815 5.821574 2.380909 5.474638 3.742631 4.626897 6.030528 5.786377 4.517931 1.764844 0.000000 3.965533 5.881814 5.137932 7.227862 7.437797 5.958824 7.792930 7.689308 8.185808 5.229877 8.295518 3.526219 7.629517 9.401538 4.566889 2.152596 2.736487 4.152660 1.090258 2.821929 3.275990 3.570842 7.796034 5.519902 7.470383 8.867218 7.744168 7.551327 8.778132 7.365234 8.909436 3.874614 8.463811 7.293989 6.885709 10.143170 9.988071 9.116214 5.200793 5.344317 0.000000 2.679204 4.667631 5.505606 5.530879 5.842359 4.327992 6.186757 5.915498 6.742621 3.826644 7.034983 2.870135 6.502071 8.268340 4.200932 2.129515 3.269336 4.347895 1.094944 3.979499 4.758364 4.937045 6.188680 3.839594 5.887713 7.235445 6.267771 5.788434 7.005447 5.601148 7.450639 3.258571 7.371399 6.379540 5.668197 9.029715 8.788121 8.153431 4.605804 5.036952 1.779864 0.000000 3.350579 4.782571 5.455674 6.308445 6.746779 5.230879 6.580437 6.888623 7.425973 4.342773 7.710219 2.863715 7.357209 8.755509 4.216436 2.124216 3.237904 4.319575 1.096346 3.914416 4.150933 3.880040 7.310291 5.052115 6.133624 7.656808 6.480001 6.996998 7.931440 6.476769 7.980657 2.728779 8.326628 7.068527 6.699887 9.627096 9.176453 8.482718 4.967450 4.761295 1.775588 1.756951 0.000000 4.891458 6.848838 3.936123 8.484492 8.293940 7.023234 9.200993 9.085100 8.834237 6.238059 8.588935 4.227473 7.609770 9.554643 4.518693 2.802865 2.139099 3.422957 2.986611 1.096371 2.128884 3.216670 8.527376 6.567900 9.104822 10.269394 9.014896 8.793758 10.165260 8.990213 9.690526 4.908059 8.260669 7.068735 6.983787 10.126965 10.326710 9.134273 5.030171 5.352028 2.350494 3.607771 3.840183 0.000000 5.334748 7.000868 2.663972 9.006418 8.577014 7.497827 9.678669 9.811623 8.845493 6.573377 8.352614 4.454030 7.297174 9.101080 4.136327 3.378609 2.121589 2.694116 4.185118 1.095994 2.126580 3.249499 8.835009 7.196975 9.732037 10.727466 9.326652 9.542424 10.849246 9.872712 9.708186 5.187599 7.861259 6.561244 6.884466 9.588403 9.941990 8.536112 4.594365 4.825804 3.843988 4.866774 4.960043 1.748687 0.000000 6.744938 8.315860 4.502230 10.452385 10.307255 9.034712 10.928427 11.197825 10.648609 7.997052 10.318896 5.674509 9.439223 11.056192 5.724765 4.385504 3.496927 4.418872 4.632354 2.195242 1.088614 2.090144 10.684841 8.753209 10.757976 12.018285 10.585551 11.041463 12.268424 11.043216 11.404669 6.037062 10.122244 8.710215 8.995297 11.670060 11.782113 10.439595 6.486757 6.194166 3.953151 5.564744 5.034643 2.520940 2.479517 0.000000 6.779628 7.842552 5.008200 10.314000 10.370739 9.064389 10.453284 11.188991 10.586224 7.821099 10.383046 5.487052 9.816327 10.986095 5.674636 4.529975 4.039778 4.752821 4.741573 3.519625 2.106526 1.085255 10.967072 9.017251 10.158488 11.530787 9.999268 11.268230 12.213310 10.936795 11.152523 5.399838 10.661781 9.062617 9.481864 11.755880 11.532807 10.297562 6.679413 5.787361 4.388031 5.831240 4.617261 4.112048 4.135388 2.419816 0.000000 5.021430 5.995933 3.844991 8.526844 8.563150 7.288347 8.657348 9.473940 8.751151 6.002471 8.586317 3.680614 8.097816 9.220514 3.941755 2.926520 2.652154 3.281472 3.422136 2.828133 2.119928 1.085806 9.200039 7.323173 8.422515 9.732594 8.180258 9.593031 10.478087 9.284468 9.304943 3.567971 8.996087 7.386753 7.774850 10.027129 9.743009 8.578560 4.986092 4.068651 3.451316 4.495580 3.300177 3.558208 3.615011 3.074199 1.849047 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:-.0924,-.8099,-.2279;1.257,-.1797,1.4648;-3.3398,2.489,-.1385;3.5469,-1.6503,-.0903;3.4909,-.2847,-.7029;2.1872,-1.1165,-.5565;3.8438,-1.8155,1.3875;4.1086,-2.7766,-.9407;3.7358,.9636,.0734;1.1273,-.6587,.3548;3.19,2.1579,-.1933;-1.2404,-.349,.5331;2.1883,2.3841,-1.2941;3.5312,3.3799,.6171;-1.3974,1.1733,.5272;-2.4786,-.883,-.1497;-3.3477,.1039,-.453;-2.7855,1.4014,-.0432;-2.6388,-2.3453,-.3628;-4.7108,-.0161,-1.0612;-5.8205,-.333,-.0854;-5.6868,-.5902,1.2141;3.8002,-.2359,-1.7441;1.805,-1.5392,-1.477;3.4187,-2.7552,1.7546;4.9277,-1.8586,1.538;3.4444,-1.0065,1.9951;3.8861,-2.6357,-2.0018;5.1969,-2.8261,-.8278;3.6935,-3.7411,-.6301;4.432,.887,.905;-1.1596,-.7524,1.5455;2.588,3.0839,-2.0385;1.2805,2.8475,-.8905;1.9026,1.466,-1.8086;3.9325,4.1736,-.0251;4.2658,3.165,1.397;2.6323,3.789,1.0941;-.6549,1.6453,-.1213;-1.3102,1.6235,1.5172;-3.578,-2.5927,-.8582;-1.8067,-2.7348,-.9584;-2.6046,-2.866,.6014;-4.709,-.7834,-1.8443;-4.9563,.9252,-1.5661;-6.8147,-.347,-.5287;-6.5516,-.8102,1.8317;-4.7201,-.5878,1.7086; 0.4917271 0.1436475 0.1218624 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= 659 658 658 659 659 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= 1.13D-06 NBF= 640 NBsUse= 639 1.00D-06 EigRej= 5.05D-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= 658 658 658 658 658 MxSgAt= 48 MxSgA2= 48. 1 8.67565022e-01 -2.26975228e+00 -7.97679432e-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 -0.004061338 0.010319182 0.007357757 0.002260626 -0.011423599 -0.009824766 -0.009661838 -0.013695279 0.006785824 0.004538923 0.003079844 -0.003662485 0.005952253 -0.003604659 0.005131041 -0.008956764 0.003392455 0.002608428 0.000766630 -0.001901674 -0.004016617 0.000946965 0.003775625 0.001374742 0.002771541 0.000242892 -0.000652414 0.010353251 0.004430381 0.004013810 0.000257541 -0.001003305 0.000330227 -0.007828308 -0.003191989 -0.004946680 -0.002957667 0.001292565 0.002527376 0.001258553 -0.002906083 -0.001187055 0.003090619 -0.005016346 0.000016181 0.001766305 0.004294697 -0.002609030 -0.002079425 -0.001368485 0.002727970 0.006551916 0.009902789 -0.003741914 -0.001154911 0.003016070 -0.000707351 -0.000965572 0.002139581 0.002677165 -0.003152215 0.000782244 0.000657907 -0.000167262 -0.001188605 -0.004215527 -0.000143354 0.000055213 0.000403687 -0.001242865 -0.000768212 -0.000874782 -0.001167621 0.001524656 -0.000964664 0.002291733 0.000361655 0.000070247 -0.001912442 -0.001301715 0.001043965 -0.000560111 0.000087723 0.001681523 0.002184452 -0.000513844 -0.000465411 -0.001110334 0.001180928 -0.001733056 0.000228877 0.000186676 -0.000907151 0.002275176 0.000420076 0.000544602 0.001045245 -0.001157032 0.001846568 -0.001454182 -0.001160708 -0.001090705 -0.000063401 0.001590809 -0.000427670 0.000532206 -0.000746348 0.002403653 0.001385476 0.000141219 -0.001289937 -0.002266937 -0.000919818 -0.000625004 0.000406009 0.001133857 0.000040193 -0.000382411 -0.000782877 -0.000293511 -0.001625285 0.000234330 0.000294990 0.002202630 0.000059246 0.001259282 0.001169934 -0.000570161 -0.002009254 0.000274109 0.001502883 -0.000012392 -0.000014579 -0.001755045 0.000850491 -0.001707686 0.000568432 0.000642880 -0.001428750 -0.000385455 -0.001343004 0.001554289 -0.000354788 0.000309873 0.013695279 0.003391134 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -965.646524590241 -965.646525685446 -0.000001095205 -965.646525690017 -0.000000004570 -965.646525697488 -0.000000007472 -965.646525698232 -0.000000000744 -965.646525698447 -0.000000000215 -965.646525698512 -0.000000000065 -965.646525698428 0.000000000084 -965.646525698 8 9.613214070738e+02 -5.899547793019e+03 2.146639892435e+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) PT228943.400S Mon Oct 7 20:53:53 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 0.147397 -0.253938 -0.409128 0.123034 0.056504 0.025206 -0.714193 -0.298374 -0.273982 -0.429844 0.469249 -0.579333 -0.861660 -0.561954 -0.026095 0.279084 1.127008 -0.517279 -0.581810 -0.760458 0.028403 -0.473715 0.186844 0.187000 0.157887 0.154780 0.158830 0.153115 0.160847 0.158970 0.141016 0.227496 0.166765 0.170007 0.159388 0.156120 0.148823 0.154656 0.237174 0.223974 0.171246 0.193400 0.184093 0.183655 0.187615 0.158902 0.154596 0.148677 -0.00000 -19.17155 -19.11773 -19.11572 -10.30769 -10.26338 -10.24273 -10.20722 -10.19653 -10.18730 -10.18668 -10.18556 -10.17865 -10.17840 -10.17624 -10.17535 -10.17008 -10.15985 -10.15832 -10.15812 -10.15598 -10.15532 -10.15382 -1.11147 -1.04740 -1.02561 -0.88336 -0.87137 -0.80614 -0.80219 -0.76039 -0.74641 -0.73122 -0.70808 -0.69132 -0.68713 -0.67859 -0.67312 -0.63227 -0.57893 -0.56553 -0.56018 -0.54993 -0.52581 -0.51177 -0.50095 -0.49155 -0.47903 -0.46978 -0.46806 -0.46304 -0.45925 -0.44925 -0.44283 -0.43400 -0.42821 -0.42338 -0.42050 -0.41754 -0.40866 -0.40199 -0.39523 -0.39213 -0.39035 -0.38357 -0.38043 -0.37992 -0.37640 -0.36692 -0.36551 -0.36197 -0.35127 -0.35035 -0.34277 -0.33035 -0.31842 -0.29819 -0.28925 -0.28471 -0.26867 -0.26584 -0.25976 -0.23321 -0.05972 -0.01829 0.00089 0.00257 0.01013 0.01364 0.01752 0.02178 0.02366 0.03111 0.03239 0.03535 0.03959 0.04351 0.04803 0.05070 0.05226 0.05473 0.05894 0.06288 0.06538 0.06979 0.07103 0.07209 0.07575 0.08095 0.08414 0.08839 0.09145 0.09450 0.09628 0.10066 0.10300 0.10382 0.10654 0.11292 0.11700 0.11822 0.12131 0.12761 0.13025 0.13177 0.13344 0.13542 0.14024 0.14160 0.14338 0.14505 0.15164 0.15316 0.15444 0.15936 0.16148 0.16531 0.16804 0.17193 0.17366 0.17545 0.17962 0.18351 0.18628 0.18737 0.19078 0.19482 0.19735 0.19959 0.20278 0.20320 0.20408 0.20681 0.20880 0.21183 0.21235 0.21494 0.21873 0.22150 0.22333 0.22687 0.22893 0.23134 0.23548 0.23656 0.23973 0.24108 0.24656 0.25007 0.25077 0.25379 0.25646 0.25784 0.26035 0.26566 0.26782 0.26832 0.27267 0.27574 0.27868 0.28194 0.28365 0.28496 0.28830 0.29661 0.29893 0.30295 0.30310 0.30381 0.30919 0.31691 0.31926 0.32467 0.32777 0.33186 0.33421 0.33670 0.34276 0.34540 0.34840 0.35087 0.35338 0.36249 0.36704 0.36986 0.37350 0.37816 0.38477 0.38896 0.39473 0.39772 0.40225 0.40907 0.41723 0.42492 0.42628 0.43063 0.43846 0.44528 0.45291 0.45472 0.45893 0.46430 0.46822 0.47616 0.48137 0.49159 0.49586 0.49762 0.50596 0.51674 0.52217 0.53139 0.53727 0.53787 0.54113 0.55104 0.55442 0.56406 0.57421 0.57592 0.57995 0.58472 0.58659 0.59321 0.59909 0.60443 0.60661 0.61261 0.61847 0.62604 0.62746 0.63161 0.63583 0.64101 0.64533 0.65315 0.65534 0.66096 0.66332 0.66744 0.67260 0.67634 0.67961 0.68523 0.68711 0.69184 0.69424 0.69720 0.69962 0.70762 0.70992 0.71409 0.71642 0.71979 0.72272 0.72439 0.72815 0.73578 0.74166 0.74596 0.74857 0.75265 0.76448 0.76675 0.77050 0.77965 0.78525 0.78728 0.79028 0.79871 0.80092 0.80617 0.81162 0.81441 0.82546 0.83984 0.84625 0.85147 0.85468 0.86064 0.87233 0.88077 0.88977 0.90482 0.90578 0.92539 0.93367 0.94086 0.94729 0.94961 0.96327 0.96699 0.98471 0.99541 1.00302 1.01068 1.02937 1.04328 1.05405 1.06584 1.07810 1.09857 1.10454 1.11323 1.11704 1.12527 1.12815 1.13628 1.13973 1.15757 1.16793 1.17679 1.18846 1.20251 1.21025 1.22759 1.23722 1.25271 1.26135 1.28754 1.29205 1.30319 1.31398 1.31698 1.33249 1.34283 1.34947 1.36525 1.37736 1.38499 1.39447 1.40151 1.40774 1.42417 1.43622 1.44343 1.44890 1.45339 1.45482 1.45948 1.46325 1.47421 1.47885 1.48389 1.48711 1.49127 1.49894 1.50758 1.50945 1.51398 1.52078 1.52794 1.53714 1.55004 1.55335 1.56637 1.57133 1.57921 1.58251 1.59600 1.60016 1.60317 1.61926 1.62112 1.62238 1.62836 1.63496 1.63630 1.64950 1.65317 1.65472 1.65931 1.66601 1.67446 1.67812 1.68643 1.69861 1.70215 1.70712 1.71181 1.71685 1.72034 1.72226 1.73119 1.73844 1.74725 1.75070 1.76144 1.77242 1.77593 1.78377 1.79022 1.80169 1.81665 1.81851 1.82058 1.83590 1.83759 1.84667 1.85274 1.86521 1.86795 1.87494 1.89009 1.89429 1.90383 1.91443 1.92140 1.93248 1.94066 1.95252 1.95959 1.96896 1.97797 1.98425 2.00243 2.00368 2.01545 2.03040 2.03691 2.05294 2.06765 2.06980 2.08525 2.08740 2.09587 2.10194 2.12039 2.12936 2.13031 2.14599 2.15641 2.16656 2.17599 2.18257 2.18878 2.19170 2.20333 2.20809 2.22181 2.23057 2.23920 2.25764 2.25897 2.28338 2.30023 2.30190 2.33492 2.34696 2.36785 2.37882 2.39178 2.39790 2.42073 2.43520 2.44523 2.45771 2.45890 2.46957 2.47734 2.48555 2.49536 2.49979 2.51072 2.51354 2.52643 2.52883 2.53363 2.53974 2.54303 2.55195 2.55397 2.56161 2.56424 2.57360 2.58521 2.59108 2.60170 2.60582 2.61332 2.62336 2.63071 2.64078 2.64587 2.65854 2.66587 2.67040 2.67171 2.67881 2.68865 2.69316 2.70761 2.72258 2.74122 2.74727 2.75541 2.75904 2.76598 2.77277 2.77751 2.79548 2.80824 2.81897 2.82143 2.82490 2.83950 2.85295 2.86215 2.87703 2.88241 2.89155 2.89393 2.90927 2.91300 2.92427 2.93940 2.94420 2.94583 2.95998 2.97132 2.98205 2.98977 3.01078 3.02117 3.03420 3.06892 3.08338 3.09569 3.10315 3.10902 3.12322 3.13189 3.14106 3.16461 3.17895 3.19162 3.20898 3.22628 3.22829 3.24115 3.25150 3.28080 3.28860 3.32016 3.33353 3.36228 3.37803 3.39026 3.46759 3.49419 3.52934 3.55267 3.59827 3.61636 3.62785 3.68296 3.68958 3.71717 3.76992 3.78067 3.78315 3.79817 3.81207 3.81575 3.82291 3.84188 3.84569 3.84853 3.85627 3.86823 3.87564 3.88906 3.94789 3.99121 4.04889 4.08244 4.12580 4.19498 4.21877 4.27008 4.28058 4.30231 4.31232 4.34098 4.44988 4.53965 4.57930 4.61720 5.08342 5.11574 5.15455 5.22917 5.32108 5.41687 5.66810 5.74385 5.91465 23.65325 23.71844 23.77519 23.82002 23.83768 23.86988 23.87954 23.88477 23.91783 23.95110 23.95732 23.96305 23.98798 23.99859 24.00543 24.00963 24.20299 24.26937 24.27421 49.94091 50.02620 50.04595 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 0.118939 -0.253598 -0.410659 0.096641 0.078572 0.153629 -0.698818 -0.288569 -0.352716 -0.535559 0.505048 -0.564148 -0.833006 -0.569436 -0.036371 0.239211 1.125313 -0.479585 -0.558221 -0.802529 0.054552 -0.500449 0.189296 0.187704 0.157559 0.155717 0.158498 0.152385 0.162117 0.160179 0.143251 0.223848 0.169708 0.166226 0.159245 0.158120 0.150525 0.156145 0.240086 0.225795 0.174441 0.188291 0.190364 0.188857 0.186480 0.160552 0.156498 0.149871 -0.00000 8.02521454e-01 -2.15234597e+00 -9.42960230e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 2.0398 -5.4707 -2.3968 6.3114 -132.5615 -138.6545 -133.2990 16.3504 -2.0926 0.7766 2.2768 -3.8162 1.5394 16.3504 -2.0926 0.7766 14.8835 -36.2666 -7.3160 62.4506 -83.5842 -22.9142 -13.7588 -2.2104 0.0926 0.8142 -9103.9543 -2565.7252 -745.0294 168.4254 164.0909 142.1790 -4.3929 -22.3297 5.5193 -2134.1629 -1605.9019 -528.7824 7.7006 -0.3512 5.9603 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -965.6465257 4.331E-9 4.904E-6 -0.0366262,-0.8502648,0.8868909,-10.5780182,6.5684162,0.9186685 C01 [X(C19H26O3)] 0.8984545 2.3148089 0.0157252 0.000009724 0.000011385 0.000001650 -0.000012896 -0.000004211 -0.000003708 -0.000003516 -0.000005720 0.000011983 0.000011967 0.000001101 -0.000003154 -0.000004299 -0.000007581 0.000003498 0.000000673 0.000007619 0.000003995 0.000000550 -0.000002426 -0.000004452 0.000000739 0.000000172 0.000004460 0.000008310 -0.000002640 0.000001126 0.000005413 0.000002044 0.000009549 0.000005396 0.000007302 -0.000003594 -0.000011223 -0.000013265 -0.000009275 -0.000004000 -0.000000702 -0.000000153 -0.000001034 -0.000005924 -0.000005483 0.000002520 -0.000004522 0.000010042 -0.000005855 0.000001629 0.000006083 0.000007589 0.000001987 0.000002360 -0.000002774 0.000004923 -0.000030340 -0.000002870 -0.000001061 -0.000002841 -0.000002797 0.000003190 0.000002628 0.000002674 0.000003026 0.000001400 -0.000000106 0.000000213 0.000003109 -0.000003982 -0.000002871 0.000000841 -0.000002250 -0.000000843 -0.000001082 -0.000001343 0.000000758 0.000000490 -0.000001915 0.000002825 0.000000618 0.000000045 0.000003638 -0.000000434 -0.000000364 -0.000002651 0.000000551 -0.000000534 -0.000001568 0.000000739 0.000000296 -0.000001145 0.000001582 -0.000005613 -0.000002027 -0.000003493 0.000001883 0.000005612 0.000002285 0.000001903 -0.000001324 -0.000002995 0.000001128 -0.000002488 -0.000002442 0.000000722 -0.000000550 -0.000004183 -0.000000543 -0.000001213 -0.000003570 -0.000000925 -0.000000010 -0.000002758 -0.000000034 0.000000092 -0.000002958 0.000000263 -0.000001231 -0.000000040 -0.000004671 0.000002662 -0.000000339 -0.000001699 -0.000000629 0.000003395 0.000001028 -0.000000560 0.000003841 0.000001894 0.000001534 0.000002366 0.000001552 -0.000000390 -0.000001847 0.000002677 -0.000003807 0.000001245 0.000001881 0.000002895 0.000003617 0.000000153 0.000002474 0.000002153 0.000004263 0.000004280 0.000003534 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:.0271,.8263,-.2291;1.4053,-.5082,-1.4134;-3.4203,-2.0725,.8426;3.7157,1.3833,-.4602;3.5447,.4025,.6587;2.3052,1.1492,.0938;4.0868,.9033,-1.8498;4.3116,2.7381,-.1186;3.7418,-1.0649,.4888;1.2586,.3959,-.6137;3.1086,-2.0149,1.1901;-1.1141,.1366,-.8048;2.0474,-1.7192,2.2161;3.4049,-3.4766,.9848;-1.3696,-1.2359,-.178;-2.3437,.9571,-.4894;-3.2874,.2238,.1374;-2.7931,-1.1479,.3416;-2.418,2.3798,-.9137;-4.6651,.6424,.5486;-5.7083,.5672,-.5423;-5.5016,.2518,-1.8192;3.8045,.781,1.6444;1.9114,1.9332,.728;3.7399,1.6198,-2.6012;5.1767,.8353,-1.932;3.6627,-.0687,-2.092;4.0344,3.063,.8879;5.4047,2.6915,-.169;3.9739,3.5004,-.8284;4.4771,-1.3714,-.2511;-.9633,.0762,-1.8854;2.3679,-2.0593,3.2086;1.1299,-2.2715,1.9817;1.7995,-.6592,2.2828;3.7255,-3.9447,1.9236;4.1851,-3.6376,.237;2.503,-4.0108,.6619;-.6882,-1.4234,.6558;-1.2687,-2.062,-.8836;-3.3599,2.8496,-.6295;-1.5891,2.9485,-.4795;-2.308,2.4477,-2.0024;-4.6476,1.6661,.9408;-4.9928,.0093,1.3811;-6.7178,.8057,-.2121;-6.3226,.2284,-2.5285;-4.5165,.0036,-2.2024; Gaussian 16 GINC-HAMILTON37 APULGAR Optimization CONF156 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:.0271,.8263,-.2291;1.4053,-.5082,-1.4134;-3.4203,-2.0725,.8426;3.7157,1.3833,-.4602;3.5447,.4025,.6587;2.3052,1.1492,.0938;4.0868,.9033,-1.8498;4.3116,2.7381,-.1186;3.7418,-1.0649,.4888;1.2586,.3959,-.6137;3.1086,-2.0149,1.1901;-1.1141,.1366,-.8048;2.0474,-1.7192,2.2161;3.4049,-3.4766,.9848;-1.3696,-1.2359,-.178;-2.3437,.9571,-.4894;-3.2874,.2238,.1374;-2.7931,-1.1479,.3416;-2.418,2.3798,-.9137;-4.6651,.6424,.5486;-5.7083,.5672,-.5423;-5.5016,.2518,-1.8192;3.8045,.781,1.6444;1.9114,1.9332,.728;3.7399,1.6198,-2.6012;5.1767,.8353,-1.932;3.6627,-.0687,-2.092;4.0344,3.063,.8879;5.4047,2.6915,-.169;3.9739,3.5004,-.8284;4.4771,-1.3714,-.2511;-.9633,.0762,-1.8854;2.3679,-2.0593,3.2086;1.1299,-2.2715,1.9817;1.7995,-.6592,2.2828;3.7255,-3.9447,1.9236;4.1851,-3.6376,.237;2.503,-4.0108,.6619;-.6882,-1.4234,.6558;-1.2687,-2.062,-.8836;-3.3599,2.8496,-.6295;-1.5891,2.9485,-.4795;-2.308,2.4477,-2.0024;-4.6476,1.6661,.9408;-4.9928,.0093,1.3811;-6.7178,.8057,-.2121;-6.3226,.2284,-2.5285;-4.5165,.0036,-2.2024; Optimization CONF156 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 1.3601 1.4524 1.2159 1.2245 1.4977 1.5333 1.5163 1.519 1.5534 1.4903 1.0873 1.4708 1.0826 1.0947 1.0952 1.0878 1.0933 1.0953 1.095 1.3399 1.0872 1.5054 1.5055 1.5303 1.5115 1.0928 1.0971 1.0962 1.0906 1.0969 1.0927 1.0968 1.518 1.093 1.0911 1.3496 1.4865 1.4723 1.4974 1.0903 1.0949 1.0963 1.5113 1.0964 1.096 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 48 116.6858 120.3516 117.4422 120.5234 114.5716 113.105 122.992 114.9619 122.5023 110.6739 114.487 123.9838 115.8273 119.77 115.1666 113.1986 110.1407 109.3903 113.0472 107.7268 107.9697 108.4104 111.8717 110.0751 110.7377 107.948 108.159 107.9169 125.1665 116.3984 118.42 122.0389 110.2533 127.6906 123.4063 121.6004 114.9879 113.2474 107.3807 108.0489 105.4047 112.2352 110.4031 110.4685 110.2032 113.1299 106.3678 108.1971 108.2145 110.8019 112.1443 110.5569 108.3111 106.5314 108.2904 104.1676 111.2382 113.5014 109.4742 110.607 107.808 111.7635 120.043 128.1505 109.6307 128.2416 122.089 125.2167 126.0388 108.7441 112.4061 110.2447 109.7386 109.0772 108.5891 106.6024 115.0203 110.1563 108.7975 108.4019 108.245 105.808 126.6496 114.2228 119.127 120.9688 122.2413 116.7895 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 0.9972 -177.5994 76.3205 -167.7411 -48.6495 0.8878 148.8067 -143.8458 4.0732 3.8132 -144.8417 144.2112 -4.4437 154.504 -87.2735 33.6303 81.5779 -160.1996 -39.2958 -59.3512 58.8713 179.775 -32.609 87.4068 -153.3448 36.8456 156.8613 -83.8903 -179.8099 -59.7941 59.4543 1.3851 141.7539 -138.5851 1.7837 -150.3146 31.1291 -76.9755 104.4682 61.6297 -116.9265 -153.0212 28.4822 137.445 -41.0515 -3.6464 177.857 3.0479 -177.8412 -178.4225 0.6884 -117.6295 125.1208 3.8308 63.206 -54.0437 -175.3337 122.3733 1.2117 -119.7512 -58.4456 -179.6071 59.4299 122.3769 4.537 -117.2518 5.2736 -112.5663 125.6449 -114.9453 127.2148 5.426 -125.3355 56.8588 -4.3217 177.8726 117.0959 -60.7099 175.0584 -4.7205 -65.8934 114.3277 52.7609 -127.018 1.3477 -176.3986 178.9321 1.1858 179.5732 -58.4977 58.6244 2.1649 124.094 -118.7839 -177.527 2.2496 0.3838 -179.8396 82.9516 -39.8971 -155.4584 -94.5427 142.6086 27.0473 -4.4167 175.8495 119.3658 -60.3681 -126.3059 53.9603 -179.8336 0.3968 -0.1115 -179.8811 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00080 0.00092 0.00110 0.00141 0.00170 0.00218 0.00251 0.00257 0.00270 0.00434 0.00791 0.00839 0.01232 0.01414 0.01556 0.01875 0.01916 0.02003 0.02058 0.02232 0.02388 0.02590 0.02791 0.03114 0.03138 0.03438 0.03763 0.03819 0.03866 0.04008 0.04452 0.04477 0.04532 0.04560 0.04587 0.04666 0.04846 0.05311 0.05482 0.05553 0.05596 0.05738 0.05860 0.05879 0.05937 0.06180 0.06719 0.06732 0.07047 0.08519 0.08903 0.09079 0.10273 0.11141 0.11930 0.12079 0.12100 0.12122 0.12151 0.12376 0.12455 0.13148 0.13634 0.13701 0.13967 0.14008 0.14125 0.14227 0.14343 0.14487 0.14591 0.14624 0.14890 0.15606 0.16518 0.17038 0.17455 0.18060 0.18101 0.18774 0.19878 0.20648 0.20790 0.20856 0.21273 0.21415 0.21959 0.22500 0.23072 0.23523 0.25195 0.26124 0.26192 0.28494 0.28896 0.30135 0.30765 0.31466 0.31607 0.31814 0.31931 0.32088 0.32225 0.32308 0.32435 0.32531 0.32597 0.32734 0.32853 0.32917 0.33102 0.33171 0.33270 0.33592 0.33649 0.33862 0.33985 0.34016 0.34060 0.34194 0.34271 0.34494 0.34530 0.34721 0.34808 0.34871 0.35291 0.35504 0.35515 0.35764 0.35773 0.39683 0.44868 0.53873 0.61083 0.61985 0.76167 0.80667 Angle between quadratic step and forces= 80.26 degrees. 1 2 0.00041608 0.00000014 0.00000013 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 2.57027 2.74464 2.29767 2.31388 2.83027 2.89755 2.86540 2.87054 2.93551 2.81634 2.05472 2.77945 2.04583 2.06870 2.06958 2.05559 2.06601 2.06976 2.06921 2.53204 2.05456 2.84475 2.84491 2.89194 2.85623 2.06507 2.07317 2.07160 2.06097 2.07292 2.06491 2.07269 2.86858 2.06547 2.06193 2.55030 2.80899 2.78220 2.82973 2.06029 2.06915 2.07179 2.85592 2.07184 2.07113 2.51600 2.05718 2.05083 2.05188 2.03655 2.10053 2.04975 2.10353 1.99965 1.97405 2.14662 2.00646 2.13807 1.93162 1.99818 2.16393 2.02157 2.09038 2.01004 1.97569 1.92232 1.90922 1.97305 1.88019 1.88443 1.89212 1.95253 1.92117 1.93274 1.88405 1.88773 1.88350 2.18457 2.03153 2.06682 2.12998 1.92428 2.22862 2.15385 2.12233 2.00692 1.97654 1.87415 1.88581 1.83966 1.95887 1.92690 1.92804 1.92341 1.97449 1.85647 1.88840 1.88870 1.93386 1.95729 1.92958 1.89039 1.85932 1.89002 1.81807 1.94147 1.98097 1.91069 1.93046 1.88161 1.95064 2.09515 2.23665 1.91342 2.23824 2.13085 2.18544 2.19979 1.89794 1.96186 1.92413 1.91530 1.90376 1.89524 1.86056 2.00748 1.92259 1.89887 1.89197 1.88923 1.84670 2.21045 1.99356 2.07916 2.11130 2.13351 2.03836 0.01740 -3.09969 1.33204 -2.92764 -0.84909 0.01549 2.59717 -2.51058 0.07109 0.06655 -2.52796 2.51696 -0.07756 2.69660 -1.52321 0.58696 1.42380 -2.79601 -0.68584 -1.03587 1.02750 3.13767 -0.56913 1.52554 -2.67637 0.64308 2.73775 -1.46416 -3.13827 -1.04360 1.03767 0.02417 2.47407 -2.41877 0.03113 -2.62349 0.54331 -1.34348 1.82331 1.07564 -2.04075 -2.67072 0.49711 2.39887 -0.71648 -0.06364 3.10419 0.05320 -3.10391 -3.11406 0.01201 -2.05302 2.18377 0.06686 1.10315 -0.94324 -3.06015 2.13582 0.02115 -2.09005 -1.02007 -3.13474 1.03725 2.13588 0.07919 -2.04643 0.09204 -1.96465 2.19292 -2.00617 2.22032 0.09470 -2.18752 0.99237 -0.07543 3.10446 2.04371 -1.05959 3.05535 -0.08239 -1.15006 1.99540 0.92085 -2.21688 0.02352 -3.07874 3.12295 0.02070 3.13414 -1.02098 1.02319 0.03778 2.16585 -2.07317 -3.09843 0.03926 0.00670 -3.13879 1.44778 -0.69634 -2.71326 -1.65008 2.48899 0.47206 -0.07709 3.06915 2.08333 -1.05362 -2.20445 0.94178 -3.13869 0.00693 -0.00195 -3.13952 -0.00001 0.00001 0.00000 0.00001 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00002 0.00000 0.00001 -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 -0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00002 0.00000 0.00000 0.00000 0.00001 0.00000 -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 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00008 0.00001 0.00002 0.00000 0.00001 0.00000 -0.00001 0.00003 -0.00002 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 0.00001 0.00001 0.00002 -0.00001 -0.00001 0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00002 -0.00001 -0.00002 -0.00001 -0.00000 0.00001 -0.00001 -0.00002 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00004 0.00004 -0.00003 -0.00004 -0.00002 0.00003 0.00001 0.00003 0.00001 -0.00004 -0.00001 0.00006 0.00002 -0.00008 0.00003 -0.00003 -0.00002 0.00000 -0.00001 0.00000 -0.00001 0.00003 -0.00001 -0.00001 -0.00000 0.00001 0.00001 0.00001 -0.00007 0.00006 0.00002 -0.00005 0.00000 0.00004 -0.00004 0.00002 0.00002 0.00001 -0.00008 -0.00004 0.00001 0.00006 0.00004 -0.00001 0.00001 -0.00003 0.00002 -0.00001 0.00002 -0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00001 0.00007 -0.00005 0.00003 -0.00006 0.00002 0.00001 0.00002 -0.00002 0.00001 -0.00005 0.00004 -0.00000 -0.00000 0.00001 -0.00002 -0.00003 0.00002 -0.00001 0.00005 -0.00001 -0.00004 -0.00002 -0.00001 -0.00000 0.00004 0.00005 -0.00005 0.00001 0.00004 0.00002 -0.00004 0.00002 0.00008 0.00011 0.00001 -0.00003 -0.00005 0.00006 0.00012 -0.00000 0.00005 0.00019 0.00008 0.00015 0.00005 -0.00020 -0.00020 -0.00017 -0.00021 -0.00021 -0.00018 -0.00015 -0.00016 -0.00013 -0.00007 -0.00007 -0.00007 -0.00008 -0.00008 -0.00008 -0.00014 -0.00014 -0.00014 0.00010 -0.00001 0.00016 0.00004 -0.00013 -0.00024 -0.00012 -0.00024 -0.00019 -0.00030 -0.00009 -0.00006 -0.00007 -0.00004 0.00002 0.00005 -0.00001 -0.00001 0.00010 0.00011 0.00113 0.00110 0.00109 0.00112 0.00110 0.00108 0.00024 0.00024 0.00024 0.00025 0.00025 0.00025 -0.00028 -0.00035 -0.00038 -0.00019 -0.00026 -0.00029 -0.00028 -0.00034 -0.00038 0.00024 0.00016 0.00021 0.00013 0.00031 0.00024 0.00027 0.00012 0.00036 0.00021 0.00037 0.00021 -0.00014 -0.00012 -0.00005 -0.00004 -0.00076 -0.00081 -0.00083 -0.00085 -0.00090 -0.00092 -0.00015 0.00001 -0.00016 -0.00001 -0.00036 -0.00031 -0.00035 -0.00035 -0.00029 -0.00033 0.00004 0.00006 -0.00002 -0.00000 0.00006 0.00007 -0.00000 -0.00004 -0.00002 -0.00006 -0.00000 0.00008 0.00001 0.00002 0.00000 0.00001 0.00000 -0.00001 0.00003 -0.00002 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 0.00001 0.00001 0.00002 -0.00001 -0.00001 0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00002 -0.00001 -0.00002 -0.00001 -0.00000 0.00001 -0.00001 -0.00002 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00004 0.00004 -0.00003 -0.00004 -0.00002 0.00003 0.00001 0.00003 0.00001 -0.00004 -0.00001 0.00006 0.00002 -0.00008 0.00003 -0.00003 -0.00002 0.00000 -0.00001 0.00000 -0.00001 0.00003 -0.00001 -0.00001 -0.00000 0.00001 0.00001 0.00001 -0.00007 0.00006 0.00002 -0.00005 0.00000 0.00004 -0.00004 0.00002 0.00002 0.00001 -0.00008 -0.00004 0.00001 0.00006 0.00004 -0.00001 0.00001 -0.00003 0.00002 -0.00001 0.00002 -0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00001 0.00007 -0.00005 0.00003 -0.00006 0.00002 0.00001 0.00002 -0.00002 0.00001 -0.00005 0.00004 -0.00000 -0.00000 0.00001 -0.00002 -0.00003 0.00002 -0.00001 0.00005 -0.00001 -0.00004 -0.00002 -0.00001 -0.00000 0.00004 0.00005 -0.00005 0.00001 0.00004 0.00002 -0.00004 0.00002 0.00008 0.00011 0.00001 -0.00003 -0.00005 0.00006 0.00012 -0.00000 0.00005 0.00019 0.00008 0.00015 0.00005 -0.00020 -0.00020 -0.00017 -0.00021 -0.00021 -0.00018 -0.00015 -0.00016 -0.00013 -0.00007 -0.00007 -0.00007 -0.00008 -0.00008 -0.00008 -0.00014 -0.00014 -0.00014 0.00010 -0.00001 0.00016 0.00004 -0.00013 -0.00024 -0.00012 -0.00024 -0.00019 -0.00030 -0.00009 -0.00006 -0.00007 -0.00004 0.00002 0.00005 -0.00001 -0.00001 0.00010 0.00011 0.00113 0.00110 0.00109 0.00112 0.00110 0.00108 0.00024 0.00024 0.00024 0.00025 0.00025 0.00025 -0.00028 -0.00035 -0.00038 -0.00019 -0.00026 -0.00029 -0.00028 -0.00034 -0.00038 0.00024 0.00016 0.00021 0.00013 0.00031 0.00024 0.00027 0.00012 0.00036 0.00021 0.00037 0.00021 -0.00014 -0.00012 -0.00005 -0.00004 -0.00076 -0.00081 -0.00083 -0.00085 -0.00090 -0.00092 -0.00015 0.00001 -0.00016 -0.00001 -0.00036 -0.00031 -0.00035 -0.00035 -0.00029 -0.00033 0.00004 0.00006 -0.00002 -0.00000 0.00006 0.00007 -0.00000 -0.00004 -0.00002 -0.00006 2.57026 2.74473 2.29768 2.31390 2.83028 2.89757 2.86540 2.87054 2.93553 2.81632 2.05472 2.77945 2.04583 2.06870 2.06957 2.05559 2.06601 2.06976 2.06920 2.53203 2.05455 2.84476 2.84491 2.89195 2.85622 2.06506 2.07318 2.07159 2.06097 2.07292 2.06491 2.07268 2.86858 2.06547 2.06193 2.55027 2.80898 2.78218 2.82972 2.06029 2.06916 2.07178 2.85590 2.07184 2.07113 2.51599 2.05718 2.05083 2.05188 2.03651 2.10057 2.04973 2.10349 1.99963 1.97408 2.14662 2.00649 2.13808 1.93159 1.99817 2.16399 2.02159 2.09030 2.01006 1.97566 1.92230 1.90922 1.97304 1.88019 1.88442 1.89214 1.95252 1.92117 1.93274 1.88406 1.88774 1.88351 2.18450 2.03159 2.06684 2.12993 1.92429 2.22866 2.15381 2.12235 2.00693 1.97655 1.87407 1.88577 1.83966 1.95894 1.92694 1.92803 1.92342 1.97446 1.85649 1.88839 1.88872 1.93385 1.95728 1.92957 1.89039 1.85933 1.89003 1.81806 1.94154 1.98093 1.91072 1.93040 1.88162 1.95065 2.09516 2.23663 1.91343 2.23819 2.13089 2.18544 2.19979 1.89795 1.96184 1.92410 1.91532 1.90375 1.89529 1.86055 2.00744 1.92257 1.89886 1.89197 1.88927 1.84674 2.21040 1.99357 2.07920 2.11132 2.13347 2.03839 0.01749 -3.09959 1.33206 -2.92766 -0.84914 0.01556 2.59728 -2.51059 0.07114 0.06674 -2.52788 2.51711 -0.07751 2.69640 -1.52341 0.58679 1.42359 -2.79622 -0.68602 -1.03603 1.02734 3.13754 -0.56920 1.52546 -2.67644 0.64300 2.73767 -1.46424 -3.13841 -1.04374 1.03754 0.02428 2.47406 -2.41861 0.03117 -2.62362 0.54306 -1.34360 1.82308 1.07545 -2.04106 -2.67082 0.49705 2.39880 -0.71652 -0.06362 3.10424 0.05318 -3.10392 -3.11396 0.01212 -2.05189 2.18487 0.06795 1.10427 -0.94215 -3.05907 2.13606 0.02139 -2.08982 -1.01982 -3.13449 1.03749 2.13560 0.07884 -2.04681 0.09185 -1.96491 2.19262 -2.00645 2.21997 0.09432 -2.18728 0.99254 -0.07522 3.10460 2.04402 -1.05935 3.05562 -0.08227 -1.14969 1.99560 0.92122 -2.21667 0.02339 -3.07886 3.12290 0.02066 3.13338 -1.02179 1.02236 0.03693 2.16495 -2.07409 -3.09858 0.03927 0.00654 -3.13880 1.44742 -0.69664 -2.71361 -1.65043 2.48869 0.47173 -0.07704 3.06921 2.08331 -1.05362 -2.20440 0.94186 -3.13869 0.00688 -0.00196 -3.13958 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000016 0.000004 0.002189 0.000416 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -2.004092e-08 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 662 A 640 A 640 1000 662 82 82 1825.9903626513 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 -0.0513575692 PCM SMD-Coulomb. Total charges None Matrix inversion n-Octanol 9.862900 2.043470 0.000000 2.254529 0.000000 4.629977 5.551847 0.000000 3.737543 3.134395 8.035076 0.000000 3.652588 3.114541 7.393986 1.497716 0.000000 2.323420 2.414213 6.612258 1.533320 1.553404 0.000000 4.371918 3.061591 8.512420 1.516304 2.614847 2.648002 0.000000 4.693028 4.545582 9.156939 1.519026 2.578283 2.568185 2.532653 0.000000 4.229786 3.063928 7.241258 2.625859 1.490341 2.668735 3.076056 3.893202 0.000000 1.360126 1.215876 5.486965 2.652460 2.616342 1.470819 3.127890 3.879697 3.084720 0.000000 4.425224 3.456883 6.538375 3.826255 2.513305 3.443723 4.326011 5.074632 1.339898 3.533880 0.000000 1.452402 2.670868 3.593465 4.999987 4.890523 3.677566 5.359967 6.056199 5.166902 2.394526 5.142008 0.000000 4.066960 3.879692 5.648592 4.423938 3.028045 3.577497 5.250546 5.517746 2.506502 3.619882 1.505377 4.750244 0.000000 5.603430 4.308313 6.969572 5.079704 3.895311 4.837495 5.261542 6.376734 2.485093 4.707230 1.505459 6.056387 2.539142 0.000000 2.491190 3.123355 2.438705 5.727073 5.247323 4.389351 6.094479 6.933426 5.157469 3.124103 4.746827 1.530347 4.200065 5.400769 0.000000 2.388615 4.129836 3.480294 6.074398 6.024860 4.689266 6.573009 6.899479 6.486791 3.647910 6.432831 1.511452 5.810668 7.407944 2.419773 0.000000 3.388679 4.996174 2.405846 7.123508 6.854267 5.668803 7.667405 8.008280 7.154941 4.610880 6.857717 2.370318 6.046110 7.693986 2.430683 1.349559 0.000000 3.489553 4.595188 1.224452 7.029527 6.532392 5.597412 7.506189 8.111143 6.537057 4.439912 6.025067 2.404875 5.222063 6.652185 1.517987 2.307369 1.472277 0.000000 2.976619 4.817395 4.890084 6.230580 6.475764 4.983743 6.735575 6.785871 7.195523 4.188478 7.367671 2.596855 6.821775 8.473939 3.835852 1.486454 2.551324 3.763192 0.000000 4.759716 6.482445 3.001112 8.473672 8.213985 7.003443 9.078275 9.242194 8.578640 6.041688 8.240272 3.833613 7.308484 9.070846 3.862156 2.562293 1.497428 2.598508 3.194761 0.000000 5.749743 7.246895 3.757744 9.459566 9.332027 8.059713 9.887647 10.261141 9.645199 6.969379 9.349062 4.621728 8.543156 10.086304 4.712542 3.387513 2.537822 3.495844 3.774894 1.511288 0.000000 5.781420 6.960379 4.101138 9.385374 9.380730 8.087695 9.610538 10.265160 9.617704 6.868385 9.398346 4.504676 8.783771 10.054289 4.688316 3.498301 2.954955 3.736867 3.854505 2.541419 1.331408 0.000000 4.216739 4.094935 7.809188 2.190865 1.087313 2.188135 3.507709 2.682477 2.178691 3.424737 2.916821 5.532324 3.108917 4.326858 5.844644 6.510339 7.271609 6.996166 6.915144 8.541269 9.763194 9.943833 0.000000 2.385801 3.286712 6.669849 2.229233 2.239512 1.082607 3.526757 2.669370 3.520838 2.142390 4.151474 3.838132 3.946280 5.618063 4.650716 4.532221 5.504427 5.636980 4.651706 6.704373 7.844718 8.016762 2.398152 0.000000 4.476778 3.374897 8.761410 2.154224 3.485313 3.089150 1.094712 2.782294 4.093453 3.406580 5.290059 5.384099 6.100852 6.240660 6.335110 6.473703 7.670187 7.681217 6.429963 9.028846 9.727031 9.374877 4.328189 3.811222 0.000000 5.423918 4.037100 9.490194 2.145051 3.092379 3.528164 1.095175 2.767226 3.395660 4.157220 4.706298 6.429143 5.790105 5.499119 7.086649 7.658513 8.734874 8.521820 7.816769 10.151440 10.976649 10.694878 3.830991 4.352385 1.768582 0.000000 4.182014 2.397873 7.924443 2.184919 2.793278 2.846680 1.087773 3.491950 2.767528 2.860188 3.855816 4.951501 4.888044 4.598606 5.509040 6.300599 7.304781 6.983202 6.660200 8.765293 9.519530 9.173988 3.834381 3.876478 1.765333 1.770632 0.000000 4.723174 4.996127 9.052506 2.177167 2.714846 2.698728 3.487358 1.093285 4.157475 4.131916 5.170482 6.159173 5.346201 6.570536 6.987043 6.856455 7.888733 8.040177 6.733848 9.036264 10.158399 10.303652 2.415115 2.410125 3.787230 3.770796 4.338762 0.000000 5.692256 5.270932 10.079759 2.156206 3.063427 3.472035 2.785652 1.095271 4.160445 4.760035 5.410239 7.030463 6.034520 6.586104 7.830453 7.946640 9.040843 9.066812 7.864254 10.301206 11.320395 11.297071 3.082114 3.685501 3.136247 2.570119 3.788308 1.769995 0.000000 4.804866 4.796749 9.408705 2.164331 3.463035 3.027031 2.793015 1.094977 4.757221 4.129944 5.936515 6.099426 6.342281 7.231191 7.169907 6.818686 8.024626 8.292632 6.489862 9.202995 10.120735 10.065756 3.679478 3.021920 2.595053 3.125286 3.798932 1.772124 1.771013 0.000000 4.963166 3.395913 8.003525 2.865672 2.200914 3.345077 2.807616 4.115043 1.087228 3.689614 2.089029 5.817423 3.480135 2.666235 5.848656 7.211231 7.936147 7.297726 7.877336 9.395395 10.372271 10.230717 2.945857 4.296738 3.874837 2.860925 2.397748 4.599709 4.168344 4.931667 0.000000 2.070547 2.484865 4.253938 5.062918 5.186686 3.968883 5.117535 6.167113 5.392326 2.580054 5.514742 1.092789 5.395377 6.319975 2.191303 2.151816 3.084628 3.131509 2.892572 4.466312 4.955754 4.542138 5.974012 4.306180 5.001564 6.187022 4.632944 6.448969 7.094987 6.100712 5.862147 0.000000 5.062039 4.969489 6.253165 5.208432 3.734571 4.472195 6.108924 6.153308 3.205230 4.676405 2.150530 5.749294 1.097076 2.833613 5.110402 6.706248 6.828419 5.973826 7.720357 7.989838 9.283984 9.620254 3.546477 4.722476 7.012312 6.534072 5.808209 5.865187 6.572722 7.055938 4.109884 6.450352 0.000000 3.962407 3.835656 4.694813 5.099723 3.838261 4.080104 5.788238 6.295373 3.241414 3.724003 2.146566 4.312721 1.096243 2.760757 3.461818 5.347570 5.398159 4.397965 6.527300 6.642719 7.822318 8.049237 4.072505 4.456751 6.554284 6.430184 5.278554 6.171691 6.894372 7.021415 4.123046 4.984803 1.755890 0.000000 3.414404 3.720257 5.596288 3.920138 2.609689 2.884098 4.975086 4.859972 2.674937 3.129824 2.178405 4.319276 1.090616 3.492777 4.053563 5.240636 5.590988 5.009925 6.102523 6.818540 8.114932 8.423936 2.549836 3.025015 5.728263 5.603913 4.791554 4.560181 5.498779 5.631136 3.754606 5.054562 1.772094 1.771612 0.000000 6.409016 5.322515 7.465680 5.836992 4.531120 5.595859 6.154084 7.012465 3.217474 5.600406 2.154680 6.893760 2.802594 1.096945 6.141202 8.166162 8.351501 7.267538 9.262419 9.660934 10.744008 10.805493 4.734589 6.266621 7.172094 6.310387 5.581464 7.090566 7.158129 7.941350 3.451961 7.256853 2.655011 3.088739 3.825279 0.000000 6.118269 4.499400 7.788378 5.090775 4.112255 5.144717 4.998422 6.386908 2.622718 5.055401 2.168077 6.588798 3.488143 1.092705 6.065877 8.016525 8.411810 7.409800 9.007447 9.835702 10.778046 10.638962 4.652915 6.036970 5.991187 5.069027 4.293491 6.733826 6.458359 7.220167 2.336441 6.693532 3.824149 3.774262 4.329809 1.774953 0.000000 5.506482 4.216596 6.234983 5.641396 4.534535 5.194892 5.741494 7.030483 3.200358 4.753320 2.151517 5.695226 2.806122 1.096818 4.837556 7.035325 7.192697 6.028857 8.218128 8.546669 9.477979 9.402039 5.061610 5.973708 6.624282 6.112413 4.946556 7.241124 7.350582 7.797538 3.419993 5.933563 3.211323 2.579250 3.788806 1.758121 1.774618 0.000000 2.521098 3.082497 2.814380 5.340133 4.609915 3.986797 5.872990 6.551052 4.447581 2.951558 3.879551 2.179092 3.163105 4.591006 1.093000 3.117543 3.120516 2.145974 4.463155 4.482659 5.531603 5.665722 5.101073 4.246196 6.283110 6.796778 5.321288 6.517973 7.398441 6.941273 5.244539 2.963488 4.032530 2.404750 3.069193 5.238832 5.369122 4.108321 0.000000 3.232658 3.137679 2.758544 6.073996 5.623296 4.903055 6.197395 7.400463 5.289837 3.535760 4.843869 2.205508 4.552120 5.228236 1.091128 3.228991 3.215996 2.158877 4.588215 4.571712 5.170979 4.913909 6.341200 5.354684 6.449191 7.144050 5.454571 7.584601 8.224460 7.643815 5.821574 2.380909 5.474638 3.742631 4.626897 6.030528 5.786377 4.517931 1.764844 0.000000 3.965533 5.881814 5.137932 7.227862 7.437797 5.958824 7.792930 7.689308 8.185808 5.229877 8.295518 3.526219 7.629517 9.401538 4.566889 2.152596 2.736487 4.152660 1.090258 2.821929 3.275990 3.570842 7.796034 5.519902 7.470383 8.867218 7.744168 7.551327 8.778132 7.365234 8.909436 3.874614 8.463811 7.293989 6.885709 10.143170 9.988071 9.116214 5.200793 5.344317 0.000000 2.679204 4.667631 5.505606 5.530879 5.842359 4.327992 6.186757 5.915498 6.742621 3.826644 7.034983 2.870135 6.502071 8.268340 4.200932 2.129515 3.269336 4.347895 1.094944 3.979499 4.758364 4.937045 6.188680 3.839594 5.887713 7.235445 6.267771 5.788434 7.005447 5.601148 7.450639 3.258571 7.371399 6.379540 5.668197 9.029715 8.788121 8.153431 4.605804 5.036952 1.779864 0.000000 3.350579 4.782571 5.455674 6.308445 6.746779 5.230879 6.580437 6.888623 7.425973 4.342773 7.710219 2.863715 7.357209 8.755509 4.216436 2.124216 3.237904 4.319575 1.096346 3.914416 4.150933 3.880040 7.310291 5.052115 6.133624 7.656808 6.480001 6.996998 7.931440 6.476769 7.980657 2.728779 8.326628 7.068527 6.699887 9.627096 9.176453 8.482718 4.967450 4.761295 1.775588 1.756951 0.000000 4.891458 6.848838 3.936123 8.484492 8.293940 7.023234 9.200993 9.085100 8.834237 6.238059 8.588935 4.227473 7.609770 9.554643 4.518693 2.802865 2.139099 3.422957 2.986611 1.096371 2.128884 3.216670 8.527376 6.567900 9.104822 10.269394 9.014896 8.793758 10.165260 8.990213 9.690526 4.908059 8.260669 7.068735 6.983787 10.126965 10.326710 9.134273 5.030171 5.352028 2.350494 3.607771 3.840183 0.000000 5.334748 7.000868 2.663972 9.006418 8.577014 7.497827 9.678669 9.811623 8.845493 6.573377 8.352614 4.454030 7.297174 9.101080 4.136327 3.378609 2.121589 2.694116 4.185118 1.095994 2.126580 3.249499 8.835009 7.196975 9.732037 10.727466 9.326652 9.542424 10.849246 9.872712 9.708186 5.187599 7.861259 6.561244 6.884466 9.588403 9.941990 8.536112 4.594365 4.825804 3.843988 4.866774 4.960043 1.748687 0.000000 6.744938 8.315860 4.502230 10.452385 10.307255 9.034712 10.928427 11.197825 10.648609 7.997052 10.318896 5.674509 9.439223 11.056192 5.724765 4.385504 3.496927 4.418872 4.632354 2.195242 1.088614 2.090144 10.684841 8.753209 10.757976 12.018285 10.585551 11.041463 12.268424 11.043216 11.404669 6.037062 10.122244 8.710215 8.995297 11.670060 11.782113 10.439595 6.486757 6.194166 3.953151 5.564744 5.034643 2.520940 2.479517 0.000000 6.779628 7.842552 5.008200 10.314000 10.370739 9.064389 10.453284 11.188991 10.586224 7.821099 10.383046 5.487052 9.816327 10.986095 5.674636 4.529975 4.039778 4.752821 4.741573 3.519625 2.106526 1.085255 10.967072 9.017251 10.158488 11.530787 9.999268 11.268230 12.213310 10.936795 11.152523 5.399838 10.661781 9.062617 9.481864 11.755880 11.532807 10.297562 6.679413 5.787361 4.388031 5.831240 4.617261 4.112048 4.135388 2.419816 0.000000 5.021430 5.995933 3.844991 8.526844 8.563150 7.288347 8.657348 9.473940 8.751151 6.002471 8.586317 3.680614 8.097816 9.220514 3.941755 2.926520 2.652154 3.281472 3.422136 2.828133 2.119928 1.085806 9.200039 7.323173 8.422515 9.732594 8.180258 9.593031 10.478087 9.284468 9.304943 3.567971 8.996087 7.386753 7.774850 10.027129 9.743009 8.578560 4.986092 4.068651 3.451316 4.495580 3.300177 3.558208 3.615011 3.074199 1.849047 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:-.0924,-.8099,-.2279;1.257,-.1797,1.4648;-3.3398,2.489,-.1385;3.5469,-1.6503,-.0903;3.4909,-.2847,-.7029;2.1872,-1.1165,-.5565;3.8438,-1.8155,1.3875;4.1086,-2.7766,-.9407;3.7358,.9636,.0734;1.1273,-.6587,.3548;3.19,2.1579,-.1933;-1.2404,-.349,.5331;2.1883,2.3841,-1.2941;3.5312,3.3799,.6171;-1.3974,1.1733,.5272;-2.4786,-.883,-.1497;-3.3477,.1039,-.453;-2.7855,1.4014,-.0432;-2.6388,-2.3453,-.3628;-4.7108,-.0161,-1.0612;-5.8205,-.333,-.0854;-5.6868,-.5902,1.2141;3.8002,-.2359,-1.7441;1.805,-1.5392,-1.477;3.4187,-2.7552,1.7546;4.9277,-1.8586,1.538;3.4444,-1.0065,1.9951;3.8861,-2.6357,-2.0018;5.1969,-2.8261,-.8278;3.6935,-3.7411,-.6301;4.432,.887,.905;-1.1596,-.7524,1.5455;2.588,3.0839,-2.0385;1.2805,2.8475,-.8905;1.9026,1.466,-1.8086;3.9325,4.1736,-.0251;4.2658,3.165,1.397;2.6323,3.789,1.0941;-.6549,1.6453,-.1213;-1.3102,1.6235,1.5172;-3.578,-2.5927,-.8582;-1.8067,-2.7348,-.9584;-2.6046,-2.866,.6014;-4.709,-.7834,-1.8443;-4.9563,.9252,-1.5661;-6.8147,-.347,-.5287;-6.5516,-.8102,1.8317;-4.7201,-.5878,1.7086; 0.4917271 0.1436475 0.1218624 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= 1.13D-06 NBF= 640 NBsUse= 639 1.00D-06 EigRej= 5.05D-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= 658 658 658 658 658 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -965.646525698409 -965.646525698 1 9.613214082180e+02 -5.899547788294e+03 2.146639886566e+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. 14907 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= 770000000 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= 2.33D+02 6.14D+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= 3.36D+01 1.21D+00. 144 vectors produced by pass 2 Test12= 4.57D-14 1.00D-09 XBig12= 3.33D-01 6.85D-02. 144 vectors produced by pass 3 Test12= 4.57D-14 1.00D-09 XBig12= 9.91D-04 2.63D-03. 144 vectors produced by pass 4 Test12= 4.57D-14 1.00D-09 XBig12= 2.53D-06 1.04D-04. 115 vectors produced by pass 5 Test12= 4.57D-14 1.00D-09 XBig12= 4.03D-09 3.22D-06. 29 vectors produced by pass 6 Test12= 4.57D-14 1.00D-09 XBig12= 5.01D-12 1.74D-07. 3 vectors produced by pass 7 Test12= 4.57D-14 1.00D-09 XBig12= 6.51D-15 9.83D-09. InvSVY: IOpt=1 It= 1 EMax= 1.60D-14 Solved reduced A of dimension 867 with 147 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 317.38 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 332.952 -28.150 344.732 14.047 -4.645 274.469 331.515 -34.631 369.091 16.245 -7.865 310.242 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT104546.500S Tue Oct 8 00:34:14 2024 -19.17155 -19.11773 -19.11572 -10.30769 -10.26338 -10.24273 -10.20722 -10.19653 -10.18730 -10.18668 -10.18556 -10.17865 -10.17840 -10.17624 -10.17535 -10.17008 -10.15985 -10.15832 -10.15812 -10.15598 -10.15532 -10.15382 -1.11147 -1.04740 -1.02561 -0.88336 -0.87137 -0.80614 -0.80219 -0.76039 -0.74641 -0.73122 -0.70808 -0.69132 -0.68713 -0.67859 -0.67312 -0.63227 -0.57893 -0.56553 -0.56018 -0.54993 -0.52581 -0.51177 -0.50095 -0.49155 -0.47903 -0.46978 -0.46806 -0.46304 -0.45925 -0.44925 -0.44283 -0.43400 -0.42821 -0.42338 -0.42050 -0.41754 -0.40866 -0.40199 -0.39523 -0.39213 -0.39035 -0.38357 -0.38043 -0.37992 -0.37640 -0.36692 -0.36551 -0.36197 -0.35127 -0.35035 -0.34277 -0.33035 -0.31842 -0.29819 -0.28925 -0.28471 -0.26867 -0.26584 -0.25976 -0.23321 -0.05972 -0.01829 0.00089 0.00257 0.01013 0.01364 0.01752 0.02178 0.02366 0.03111 0.03239 0.03535 0.03959 0.04351 0.04803 0.05070 0.05226 0.05473 0.05894 0.06288 0.06538 0.06979 0.07103 0.07209 0.07575 0.08095 0.08414 0.08839 0.09145 0.09450 0.09628 0.10066 0.10300 0.10382 0.10654 0.11292 0.11700 0.11822 0.12131 0.12761 0.13025 0.13177 0.13344 0.13542 0.14024 0.14160 0.14338 0.14505 0.15164 0.15316 0.15444 0.15936 0.16148 0.16531 0.16804 0.17193 0.17366 0.17545 0.17962 0.18351 0.18628 0.18737 0.19078 0.19482 0.19735 0.19959 0.20278 0.20320 0.20408 0.20681 0.20880 0.21183 0.21235 0.21494 0.21873 0.22150 0.22333 0.22687 0.22893 0.23134 0.23548 0.23656 0.23973 0.24108 0.24656 0.25007 0.25077 0.25379 0.25646 0.25784 0.26035 0.26566 0.26782 0.26832 0.27267 0.27574 0.27868 0.28194 0.28365 0.28496 0.28830 0.29661 0.29893 0.30295 0.30310 0.30381 0.30919 0.31691 0.31926 0.32467 0.32777 0.33186 0.33421 0.33670 0.34276 0.34540 0.34840 0.35087 0.35338 0.36249 0.36704 0.36986 0.37350 0.37816 0.38477 0.38896 0.39473 0.39772 0.40225 0.40907 0.41723 0.42492 0.42628 0.43063 0.43846 0.44528 0.45291 0.45472 0.45893 0.46430 0.46822 0.47616 0.48137 0.49159 0.49586 0.49762 0.50596 0.51674 0.52217 0.53139 0.53727 0.53787 0.54113 0.55104 0.55442 0.56406 0.57421 0.57592 0.57995 0.58472 0.58659 0.59321 0.59909 0.60443 0.60661 0.61261 0.61847 0.62604 0.62746 0.63161 0.63583 0.64101 0.64533 0.65315 0.65534 0.66096 0.66332 0.66744 0.67260 0.67634 0.67961 0.68523 0.68711 0.69184 0.69424 0.69720 0.69962 0.70762 0.70992 0.71409 0.71642 0.71979 0.72272 0.72439 0.72815 0.73578 0.74166 0.74596 0.74857 0.75265 0.76448 0.76675 0.77050 0.77965 0.78525 0.78728 0.79028 0.79871 0.80092 0.80617 0.81162 0.81441 0.82546 0.83984 0.84625 0.85147 0.85468 0.86064 0.87233 0.88077 0.88977 0.90482 0.90578 0.92539 0.93367 0.94086 0.94729 0.94961 0.96327 0.96699 0.98471 0.99541 1.00302 1.01068 1.02937 1.04328 1.05405 1.06584 1.07810 1.09857 1.10454 1.11323 1.11704 1.12527 1.12815 1.13628 1.13973 1.15757 1.16793 1.17679 1.18846 1.20251 1.21025 1.22759 1.23722 1.25271 1.26135 1.28754 1.29205 1.30319 1.31398 1.31698 1.33249 1.34283 1.34947 1.36525 1.37736 1.38499 1.39447 1.40151 1.40774 1.42417 1.43622 1.44343 1.44890 1.45339 1.45482 1.45948 1.46325 1.47421 1.47885 1.48389 1.48711 1.49127 1.49894 1.50758 1.50945 1.51398 1.52078 1.52794 1.53714 1.55004 1.55335 1.56637 1.57133 1.57921 1.58251 1.59600 1.60016 1.60317 1.61926 1.62112 1.62238 1.62836 1.63496 1.63630 1.64950 1.65317 1.65472 1.65931 1.66601 1.67446 1.67812 1.68643 1.69861 1.70215 1.70712 1.71181 1.71685 1.72034 1.72226 1.73119 1.73844 1.74725 1.75070 1.76144 1.77242 1.77593 1.78377 1.79022 1.80169 1.81665 1.81851 1.82058 1.83590 1.83759 1.84667 1.85274 1.86521 1.86795 1.87494 1.89009 1.89429 1.90383 1.91443 1.92140 1.93248 1.94066 1.95252 1.95959 1.96896 1.97797 1.98425 2.00243 2.00368 2.01545 2.03040 2.03691 2.05294 2.06765 2.06980 2.08525 2.08740 2.09587 2.10194 2.12039 2.12936 2.13031 2.14599 2.15641 2.16656 2.17599 2.18257 2.18878 2.19170 2.20333 2.20809 2.22181 2.23057 2.23920 2.25764 2.25897 2.28338 2.30023 2.30190 2.33492 2.34696 2.36785 2.37882 2.39178 2.39790 2.42073 2.43520 2.44523 2.45771 2.45890 2.46957 2.47734 2.48555 2.49536 2.49979 2.51072 2.51354 2.52643 2.52883 2.53363 2.53974 2.54303 2.55195 2.55397 2.56161 2.56424 2.57360 2.58521 2.59108 2.60170 2.60582 2.61332 2.62336 2.63071 2.64078 2.64587 2.65854 2.66587 2.67040 2.67171 2.67881 2.68865 2.69316 2.70761 2.72258 2.74122 2.74727 2.75541 2.75904 2.76598 2.77277 2.77751 2.79548 2.80824 2.81897 2.82143 2.82490 2.83950 2.85295 2.86215 2.87703 2.88241 2.89155 2.89393 2.90927 2.91300 2.92427 2.93940 2.94420 2.94583 2.95998 2.97132 2.98205 2.98977 3.01078 3.02117 3.03420 3.06892 3.08338 3.09569 3.10315 3.10902 3.12322 3.13189 3.14106 3.16461 3.17895 3.19162 3.20898 3.22628 3.22829 3.24115 3.25150 3.28080 3.28860 3.32016 3.33353 3.36228 3.37803 3.39026 3.46759 3.49419 3.52934 3.55267 3.59827 3.61636 3.62785 3.68296 3.68958 3.71717 3.76992 3.78067 3.78315 3.79817 3.81207 3.81575 3.82291 3.84188 3.84569 3.84853 3.85627 3.86823 3.87564 3.88906 3.94789 3.99121 4.04889 4.08244 4.12580 4.19498 4.21877 4.27008 4.28058 4.30231 4.31232 4.34098 4.44988 4.53965 4.57930 4.61720 5.08342 5.11574 5.15455 5.22917 5.32108 5.41687 5.66810 5.74385 5.91465 23.65325 23.71844 23.77519 23.82002 23.83768 23.86988 23.87954 23.88477 23.91783 23.95110 23.95732 23.96305 23.98798 23.99859 24.00543 24.00963 24.20299 24.26937 24.27421 49.94091 50.02620 50.04595 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 0.118939 -0.253598 -0.410659 0.096640 0.078572 0.153629 -0.698818 -0.288569 -0.352716 -0.535559 0.505048 -0.564148 -0.833006 -0.569436 -0.036371 0.239211 1.125312 -0.479585 -0.558221 -0.802530 0.054552 -0.500449 0.189296 0.187705 0.157559 0.155717 0.158498 0.152385 0.162117 0.160179 0.143251 0.223848 0.169709 0.166226 0.159245 0.158120 0.150525 0.156145 0.240086 0.225795 0.174441 0.188291 0.190364 0.188857 0.186480 0.160552 0.156498 0.149871 -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 0.118939 -0.253598 -0.410659 0.096640 0.267868 0.341334 -0.227044 0.186113 -0.209465 -0.535559 0.505048 -0.340300 -0.337826 -0.104646 0.429510 0.239211 1.125312 -0.479585 -0.005126 -0.427193 0.215104 -0.194080 0.00000 8.02521308e-01 -2.15234589e+00 -9.42959825e-01 3.32952112e+02 -2.81500331e+01 3.44731624e+02 1.40470475e+01 -4.64495417e+00 2.74469129e+02 0.0006 0.0007 0.0010 1.1286 6.2447 7.8285 18.2206 21.9060 31.8462 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 16.3271 21.2653 31.7749 38.8637 50.1525 66.4732 81.6067 92.5724 104.8835 117.3243 119.4445 122.7635 136.8290 140.0733 160.5980 170.8917 186.0342 206.7856 236.3540 243.3947 278.5416 283.9490 295.3187 310.0942 321.3938 355.2598 366.0503 386.4645 402.3684 420.2682 462.4493 465.5559 500.1946 507.5422 541.8531 552.2840 577.6849 584.4409 605.7436 635.7317 669.2560 682.6821 754.0030 790.1575 800.1394 825.3486 837.2505 840.5175 867.2566 889.6013 895.2159 920.2282 942.5867 954.9582 964.4976 967.1114 977.0957 985.8289 1004.7561 1010.7166 1022.8726 1028.3411 1038.2527 1048.1559 1062.1678 1065.7587 1074.5993 1081.7144 1093.3760 1100.2311 1115.0248 1140.9682 1148.2962 1177.5708 1193.2265 1211.1422 1213.4362 1236.7654 1237.9318 1279.3144 1317.3054 1322.4810 1329.0178 1338.1518 1354.7552 1367.6803 1375.9548 1392.0789 1408.4056 1409.8611 1410.4956 1411.6303 1421.0048 1430.5646 1436.9372 1441.9221 1455.5387 1460.7229 1463.6704 1472.7935 1473.6269 1476.4783 1477.8330 1480.1673 1481.1346 1497.1129 1501.9043 1675.7391 1691.5139 1710.5352 1716.4549 1720.3894 3001.9227 3009.3948 3013.4104 3020.3207 3021.7668 3022.8488 3045.2902 3048.5150 3049.6472 3066.0994 3068.4520 3069.9684 3071.0126 3073.9804 3088.0819 3091.8397 3109.6571 3114.3139 3114.4795 3120.8198 3124.2244 3131.3027 3132.7210 3144.2526 3172.8793 3206.9166 4.5593 3.9949 4.2830 4.2529 2.8362 4.9436 4.0078 3.3171 1.4611 1.8667 2.6678 2.8253 1.8002 1.3478 2.4489 2.6277 1.3916 1.2553 2.2718 2.0517 1.6749 3.2666 2.3214 3.4923 3.8381 3.8522 3.4190 3.1519 3.2049 2.6252 3.1966 2.3890 2.8783 2.7233 3.1182 1.4200 3.0528 3.6527 3.1407 3.9920 3.6739 4.2426 4.0026 3.2113 3.1216 3.6427 3.2804 3.2525 1.9382 3.0256 2.6407 2.4873 1.3825 1.6470 1.7150 1.4040 1.4644 2.2352 1.2569 1.7719 2.0081 1.1638 2.0570 2.2189 2.1777 2.0653 1.6825 1.5138 1.9435 1.6948 2.1291 1.8719 2.1331 2.3548 1.3837 2.1640 1.8613 1.2984 1.9561 1.6088 1.3524 1.9099 1.8013 1.7765 1.4570 1.3379 1.7317 1.5867 1.4026 1.2742 1.5682 1.3011 1.2752 1.1221 1.1951 1.9179 1.0926 1.0448 1.1178 1.0487 1.0875 1.0443 1.0532 1.0841 1.0666 1.0661 1.1889 8.3750 4.7041 6.7714 10.8093 11.5064 1.0382 1.0409 1.0358 1.0556 1.0452 1.0414 1.0997 1.1003 1.0981 1.0737 1.0763 1.0934 1.1021 1.1015 1.1023 1.1003 1.0888 1.0973 1.1018 1.0627 1.1003 1.0888 1.0878 1.0948 1.0891 1.1155 0.0007 0.0011 0.0025 0.0038 0.0042 0.0129 0.0157 0.0167 0.0095 0.0151 0.0224 0.0251 0.0199 0.0156 0.0372 0.0452 0.0284 0.0316 0.0748 0.0716 0.0766 0.1552 0.1193 0.1979 0.2336 0.2864 0.2699 0.2774 0.3057 0.2732 0.4028 0.3051 0.4243 0.4133 0.5394 0.2552 0.6003 0.7351 0.6790 0.9506 0.9695 1.1650 1.3407 1.1813 1.1775 1.4620 1.3548 1.3538 0.8589 1.4107 1.2469 1.2410 0.7237 0.8849 0.9400 0.7737 0.8237 1.2799 0.7476 1.0664 1.2379 0.7251 1.3064 1.4363 1.4475 1.3821 1.1447 1.0436 1.3689 1.2087 1.5596 1.4358 1.6572 1.9239 1.1608 1.8703 1.6147 1.1701 1.7662 1.5513 1.3827 1.9681 1.8746 1.8742 1.5756 1.4745 1.9317 1.8117 1.6393 1.4922 1.8382 1.5276 1.5171 1.3529 1.4539 2.3495 1.3639 1.3135 1.4110 1.3402 1.3914 1.3413 1.3552 1.3994 1.3786 1.4079 1.5801 13.8562 7.9301 11.6732 18.7634 20.0651 5.5122 5.5543 5.5416 5.6734 5.6228 5.6065 6.0089 6.0246 6.0173 5.9473 5.9704 6.0714 6.1242 6.1324 6.1934 6.1974 6.2031 6.2706 6.2968 6.0983 6.3275 6.2900 6.2899 6.3771 6.4602 6.7592 0.9540 1.2002 2.5790 0.7859 0.1269 3.6415 3.0245 5.3099 0.0805 0.4452 0.9581 4.1491 0.7056 0.1732 3.0575 0.5530 1.3694 0.5191 3.8850 2.6753 4.7513 2.1826 5.3932 1.0587 12.5768 10.7568 5.6827 9.5621 3.0607 4.7701 2.5112 5.0798 5.4294 0.4491 2.8490 22.0185 0.7253 3.1393 11.8322 2.5046 6.0117 16.0400 8.6995 5.8748 34.5839 59.1579 1.6809 2.5103 1.1140 24.6785 18.4191 14.5155 97.2499 63.4019 10.0948 0.6830 9.3107 27.1436 14.7542 24.6670 47.2666 27.1978 2.5895 40.7592 8.9464 20.3200 14.9820 12.6174 405.3717 2.4161 33.3576 324.6601 148.2391 260.6962 14.3107 6.2609 49.0301 41.2426 9.4614 3.6078 12.7460 60.6256 11.0900 3.6568 48.9721 53.8666 25.5254 36.1722 9.6891 9.1820 69.3496 17.0331 16.1177 9.0896 8.4000 169.4853 27.4517 1.3483 4.0588 8.3964 47.6305 0.3660 24.4715 16.1061 13.8930 21.9107 2.7048 626.6522 56.1582 30.8548 288.4212 498.4436 39.3809 65.5284 39.6161 24.0471 10.0098 70.7016 16.2828 8.7598 51.9665 9.7846 2.1398 16.2127 1.8035 93.2627 44.4810 39.7317 10.8288 18.3561 15.7156 20.9951 18.5152 27.0736 15.8472 16.4732 6.8337 19.1345 -0.00 0.07 -0.05 -0.00 0.09 -0.05 -0.11 -0.01 -0.13 -0.04 -0.02 -0.01 0.04 -0.01 0.01 -0.01 0.05 -0.04 -0.08 -0.05 -0.01 -0.08 -0.04 -0.01 0.09 -0.03 0.03 -0.00 0.08 -0.05 0.12 -0.01 0.08 -0.00 0.09 -0.06 0.09 0.05 0.12 0.17 -0.04 0.10 -0.04 0.08 -0.14 -0.01 0.02 0.00 -0.05 -0.03 -0.01 -0.07 0.01 -0.10 0.03 0.00 0.07 -0.07 -0.10 0.05 -0.01 -0.12 0.10 0.05 -0.08 0.10 0.06 -0.01 0.01 -0.00 0.08 -0.05 -0.14 -0.03 -0.03 -0.09 -0.11 0.02 -0.06 -0.04 -0.01 -0.04 -0.01 -0.02 -0.08 -0.09 0.01 -0.13 -0.02 -0.04 0.11 -0.08 0.01 0.02 0.15 -0.03 0.07 0.09 0.14 0.10 0.03 0.17 0.08 0.08 0.07 0.19 -0.04 0.12 0.18 -0.09 0.08 0.20 -0.03 0.14 -0.08 0.06 -0.21 -0.01 0.15 -0.18 0.03 -0.05 0.11 0.03 -0.00 0.07 0.08 0.05 0.10 -0.07 -0.13 0.07 -0.13 -0.13 0.03 -0.03 -0.17 0.15 0.09 -0.10 0.15 0.07 -0.03 0.06 -0.00 -0.04 0.02 0.01 -0.03 0.01 0.03 -0.06 -0.14 0.01 0.02 -0.06 -0.01 0.04 -0.01 0.00 0.02 -0.02 0.03 -0.02 -0.07 0.02 0.06 -0.10 -0.01 0.02 0.02 0.01 -0.02 0.00 -0.02 0.02 0.06 0.00 -0.04 0.03 -0.02 0.05 0.07 -0.02 0.00 0.10 -0.01 -0.04 -0.00 0.00 -0.07 0.05 0.01 -0.08 -0.01 0.01 -0.06 -0.06 0.00 -0.08 0.13 0.03 -0.10 -0.03 -0.02 0.12 -0.01 -0.06 0.31 0.03 -0.03 0.08 -0.02 -0.01 0.04 -0.03 0.06 -0.04 -0.10 0.03 -0.00 -0.08 0.02 -0.05 -0.04 0.00 0.09 -0.10 0.02 0.07 -0.12 0.03 0.04 -0.13 -0.01 -0.00 0.02 0.02 -0.02 0.04 -0.03 0.08 0.09 -0.02 0.03 0.09 -0.02 0.07 0.04 -0.03 0.02 0.12 -0.02 -0.02 0.09 -0.02 -0.02 0.11 0.02 -0.04 0.03 -0.06 -0.03 -0.00 0.01 -0.11 0.14 0.01 -0.12 0.16 -0.01 -0.03 0.16 -0.00 -0.21 0.08 0.09 -0.16 -0.18 -0.01 0.10 -0.03 -0.08 0.46 0.05 -0.07 0.34 0.05 -0.03 0.01 0.09 0.03 -0.00 0.04 0.10 0.06 -0.14 -0.03 -0.00 -0.06 -0.05 0.01 -0.03 -0.04 0.01 0.00 0.02 -0.03 -0.07 -0.07 0.01 -0.10 -0.01 -0.00 -0.02 -0.01 0.00 0.05 0.01 0.01 -0.00 -0.01 0.03 0.11 0.00 0.04 0.01 0.05 -0.00 -0.00 0.01 0.03 0.08 -0.02 0.02 0.13 0.03 0.03 0.04 0.05 0.04 -0.02 -0.06 0.02 0.22 0.06 0.03 -0.04 0.02 -0.10 -0.13 -0.06 -0.20 -0.15 -0.09 0.03 -0.04 -0.08 0.03 0.01 0.04 -0.04 -0.08 0.03 -0.03 -0.11 0.04 -0.04 -0.04 -0.11 0.03 -0.09 -0.06 0.00 -0.14 -0.06 0.01 -0.10 -0.00 -0.03 -0.03 0.01 0.04 0.12 0.01 0.03 0.01 0.02 0.06 0.02 -0.03 0.05 0.01 0.06 -0.01 0.00 0.05 -0.03 -0.01 0.06 0.01 0.01 0.07 0.02 0.15 -0.07 0.03 0.09 -0.03 0.03 0.15 -0.03 -0.06 0.32 -0.18 0.08 0.26 0.14 0.09 -0.10 0.05 0.06 0.02 0.04 -0.12 -0.20 -0.09 -0.30 -0.22 -0.09 -0.20 -0.08 -0.00 0.03 0.03 0.02 0.12 -0.02 -0.09 -0.07 0.15 -0.03 0.00 -0.00 0.02 -0.01 -0.04 -0.01 0.05 -0.01 -0.02 0.04 0.00 -0.08 -0.05 0.03 0.10 -0.00 -0.08 0.01 0.08 -0.00 0.10 0.00 -0.04 -0.01 -0.03 0.06 -0.02 0.01 0.07 0.21 0.01 -0.09 -0.06 -0.04 0.13 0.01 -0.04 0.02 -0.00 -0.05 0.02 -0.05 -0.06 0.10 0.06 -0.04 -0.04 0.04 -0.05 -0.07 -0.04 0.01 -0.13 -0.13 0.08 -0.11 0.01 -0.05 -0.05 -0.03 0.04 0.01 -0.07 0.08 0.04 -0.02 -0.01 -0.01 0.02 0.09 -0.03 -0.09 -0.07 0.03 -0.09 -0.09 0.02 -0.13 -0.02 0.07 0.19 -0.00 -0.15 0.00 -0.08 0.04 -0.10 0.03 0.04 0.02 -0.01 0.17 -0.06 0.01 0.08 0.16 -0.01 -0.14 0.28 0.00 -0.16 0.27 0.04 -0.01 -0.06 0.02 0.17 -0.10 -0.09 0.15 0.07 -0.05 -0.05 0.07 0.01 -0.06 0.08 -0.08 -0.06 0.07 -0.08 -0.03 0.09 -0.07 -0.12 -0.01 0.00 -0.20 -0.18 0.13 -0.15 -0.17 0.10 -0.04 -0.02 -0.03 0.01 -0.02 0.02 -0.01 -0.01 -0.03 0.04 -0.02 0.01 0.00 -0.01 0.03 0.04 -0.01 0.02 -0.01 -0.06 -0.05 0.00 -0.01 0.04 -0.03 -0.04 0.01 0.08 -0.02 0.01 -0.01 0.08 0.04 -0.03 -0.02 -0.04 0.02 0.27 0.08 -0.20 0.02 0.04 0.00 -0.02 -0.04 0.04 -0.02 -0.03 0.01 -0.01 -0.02 0.02 -0.01 -0.03 0.03 -0.02 -0.03 0.00 -0.01 -0.01 0.01 -0.02 0.00 -0.00 -0.04 0.00 0.00 0.02 0.05 0.05 0.00 0.05 -0.02 -0.06 -0.07 -0.05 -0.06 -0.05 0.03 -0.08 -0.08 0.03 0.02 0.08 -0.03 -0.01 0.03 -0.00 -0.02 0.03 -0.07 -0.19 -0.02 0.20 -0.01 -0.05 0.01 0.38 0.13 -0.09 0.19 0.04 -0.33 0.37 0.10 -0.29 0.21 -0.01 0.06 -0.15 -0.01 0.15 -0.04 0.12 -0.18 -0.01 -0.03 0.06 -0.03 -0.06 0.05 -0.02 -0.02 0.00 -0.03 -0.03 -0.00 -0.03 -0.03 -0.00 -0.01 -0.01 0.01 0.00 -0.01 0.00 -0.02 0.01 -0.01 -0.05 0.01 -0.01 -0.04 -0.00 0.01 -0.04 -0.18 -0.01 -0.06 0.14 -0.12 0.19 0.00 -0.08 -0.02 0.04 0.02 0.01 0.03 -0.01 -0.00 0.05 -0.04 -0.09 0.08 0.04 0.01 0.02 0.08 0.03 0.04 -0.02 -0.03 0.02 -0.07 0.03 0.04 0.02 -0.03 -0.15 -0.01 -0.04 0.06 0.09 0.11 0.03 0.01 0.05 -0.14 0.03 -0.06 -0.07 -0.02 -0.00 -0.01 -0.00 0.09 -0.05 -0.02 -0.17 -0.06 -0.04 -0.03 0.08 0.04 0.00 0.07 0.08 0.06 -0.07 0.04 0.04 0.01 0.00 0.03 0.02 -0.05 -0.12 0.10 0.05 -0.10 0.07 0.09 -0.11 0.11 -0.01 0.06 -0.01 0.06 0.00 0.01 0.13 -0.01 0.03 0.08 0.09 0.03 -0.06 -0.06 -0.18 -0.02 -0.09 0.08 0.08 -0.01 0.04 0.16 -0.06 0.07 0.08 0.08 0.03 -0.02 0.15 0.02 -0.04 0.14 0.05 0.06 0.11 -0.15 0.09 0.02 -0.19 0.05 -0.17 0.02 -0.07 -0.18 -0.12 -0.00 -0.25 -0.06 -0.04 -0.10 0.13 -0.00 -0.01 0.13 0.11 -0.03 0.19 0.13 0.07 -0.07 0.07 0.08 -0.20 -0.01 -0.02 -0.02 0.04 -0.06 -0.20 0.14 -0.02 0.00 -0.05 0.02 0.02 0.01 -0.08 0.02 0.02 -0.03 -0.05 0.08 0.12 0.04 -0.01 0.04 0.06 -0.03 -0.02 0.02 0.01 -0.04 -0.10 0.10 0.06 0.05 -0.01 -0.05 -0.01 -0.02 0.01 0.08 0.04 0.24 0.07 -0.11 -0.03 -0.01 -0.03 -0.03 0.00 -0.05 -0.04 0.00 -0.03 -0.03 0.00 -0.04 -0.03 0.00 -0.09 -0.05 0.01 -0.00 -0.02 0.01 0.04 0.02 -0.01 0.03 -0.15 0.05 0.00 -0.04 -0.04 0.08 0.23 -0.00 0.01 0.13 0.14 -0.07 0.07 -0.00 0.01 -0.03 0.05 -0.02 0.05 0.14 -0.10 0.13 0.03 -0.01 0.01 0.00 -0.02 -0.09 0.00 -0.01 0.03 -0.01 -0.03 0.08 0.20 0.07 -0.12 0.07 0.12 0.34 -0.05 -0.20 0.24 0.03 -0.12 0.32 0.24 -0.12 -0.03 -0.02 -0.04 -0.03 0.01 -0.04 -0.03 0.01 -0.08 -0.03 0.03 -0.12 0.00 -0.03 -0.11 -0.08 0.01 -0.00 -0.07 0.01 0.01 -0.04 0.03 0.08 0.04 -0.01 0.06 0.04 -0.03 -0.01 -0.00 0.11 0.00 -0.01 -0.01 0.05 0.06 0.00 -0.16 -0.05 -0.01 0.00 -0.01 0.00 0.01 -0.03 0.04 0.01 -0.05 -0.04 -0.00 -0.11 -0.03 -0.01 -0.00 0.00 0.00 -0.01 0.05 0.02 -0.01 -0.00 -0.01 -0.02 -0.02 0.05 -0.01 -0.03 -0.02 -0.03 0.01 -0.03 -0.09 -0.03 0.21 0.02 -0.01 -0.03 0.02 -0.01 -0.03 0.01 -0.01 -0.01 0.09 -0.00 -0.13 0.02 -0.03 -0.01 0.07 -0.02 0.06 0.14 0.02 0.06 -0.00 -0.01 0.01 -0.05 0.06 0.01 -0.13 -0.00 -0.00 -0.06 -0.13 -0.01 0.02 -0.01 0.00 -0.10 -0.00 -0.01 -0.11 -0.09 -0.01 -0.16 -0.01 -0.02 -0.00 0.02 0.00 -0.00 -0.13 0.00 -0.00 -0.04 -0.03 -0.01 -0.02 -0.04 -0.00 -0.03 -0.01 -0.04 0.01 -0.03 -0.04 0.03 -0.02 -0.04 0.00 -0.04 0.03 0.12 0.45 -0.33 -0.17 0.30 0.10 -0.01 -0.16 0.11 0.09 -0.17 0.11 -0.08 -0.18 -0.01 -0.04 0.00 -0.01 -0.04 -0.01 0.05 -0.04 0.11 0.18 0.02 0.11 0.17 0.04 0.01 0.01 -0.00 0.01 0.01 0.01 0.00 0.02 0.00 -0.07 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 0.00 0.02 0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.01 0.01 0.01 0.00 -0.00 -0.00 -0.01 -0.01 0.01 0.00 0.01 -0.00 0.00 -0.00 0.03 -0.02 -0.01 0.05 0.00 -0.00 -0.00 0.05 -0.00 -0.04 -0.01 -0.00 0.04 -0.06 0.08 0.01 -0.10 -0.06 -0.01 0.00 -0.00 -0.01 0.00 -0.01 0.01 0.03 -0.00 -0.00 0.02 0.02 -0.01 0.01 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.02 0.01 0.00 0.01 0.01 -0.00 -0.02 -0.00 0.02 -0.00 -0.01 -0.02 0.00 0.02 -0.01 -0.01 0.01 -0.02 -0.02 0.01 0.00 0.00 -0.01 0.01 0.02 -0.01 -0.15 -0.04 0.36 -0.19 0.16 -0.48 0.57 -0.11 -0.12 -0.02 -0.04 0.07 0.03 -0.02 -0.01 -0.06 0.25 0.01 -0.13 -0.00 -0.03 -0.10 -0.24 -0.01 0.01 0.05 -0.02 0.01 -0.03 0.01 -0.06 -0.04 0.01 0.00 -0.00 0.00 0.02 0.00 0.01 0.01 0.01 -0.00 -0.01 -0.02 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 0.01 0.01 -0.01 -0.00 -0.02 -0.00 -0.00 0.01 -0.02 -0.03 0.01 0.01 0.01 -0.02 -0.00 0.01 -0.03 -0.03 -0.02 -0.02 -0.01 0.02 -0.03 0.06 0.00 0.00 -0.02 -0.01 0.20 0.03 0.04 -0.10 -0.03 0.03 0.01 0.01 0.01 0.03 -0.01 -0.05 -0.01 -0.01 -0.01 -0.06 0.01 0.02 -0.01 0.00 0.01 0.02 -0.01 -0.00 -0.01 -0.00 -0.01 0.00 -0.02 0.02 0.02 0.01 0.02 0.00 -0.01 0.00 -0.05 -0.02 0.00 -0.00 -0.01 -0.01 -0.03 0.02 -0.01 0.01 -0.03 0.00 0.03 -0.02 -0.00 0.01 -0.02 -0.03 0.03 0.03 -0.06 -0.01 0.02 0.12 -0.03 -0.13 0.14 -0.11 0.30 -0.24 0.05 0.12 -0.06 -0.09 0.07 0.08 -0.03 -0.12 -0.06 0.58 0.12 0.03 0.04 0.01 0.09 -0.50 -0.13 -0.01 -0.06 0.10 0.00 0.10 0.03 -0.04 -0.01 0.02 -0.01 0.00 -0.02 -0.05 -0.03 -0.07 -0.04 -0.03 0.06 0.13 0.10 -0.03 -0.08 -0.05 0.01 -0.02 -0.03 -0.07 -0.01 0.01 0.07 0.01 -0.01 -0.02 -0.03 -0.00 0.03 0.04 0.07 -0.03 -0.03 -0.09 0.11 -0.01 0.00 -0.03 -0.00 -0.00 -0.02 0.01 -0.00 -0.05 -0.01 -0.01 -0.02 0.01 -0.00 -0.04 0.01 -0.00 -0.04 0.04 0.04 0.01 0.11 -0.01 -0.01 -0.13 -0.04 -0.09 -0.08 -0.08 0.10 0.31 0.04 0.03 0.15 0.29 -0.11 0.04 0.06 -0.03 -0.15 -0.10 0.01 -0.08 -0.07 -0.06 -0.08 -0.03 0.08 -0.04 -0.07 -0.05 -0.09 0.03 0.05 -0.04 0.31 0.15 -0.06 -0.17 0.02 0.22 0.14 -0.25 0.00 -0.02 0.21 -0.08 -0.16 0.13 -0.06 -0.14 0.09 -0.02 -0.05 -0.08 0.03 0.05 -0.06 0.02 -0.00 -0.06 0.02 0.01 -0.03 -0.00 -0.02 -0.05 -0.02 -0.03 -0.02 0.01 -0.01 -0.06 0.01 0.12 0.07 0.13 0.02 0.04 0.14 -0.09 -0.07 -0.01 -0.10 0.10 0.00 0.09 0.02 -0.03 -0.02 0.08 -0.04 -0.01 -0.01 -0.02 0.02 0.06 -0.03 0.03 0.03 -0.07 -0.12 -0.02 -0.07 0.03 -0.09 -0.03 0.02 0.06 -0.01 0.01 0.06 -0.03 0.01 0.02 -0.01 -0.00 0.02 -0.04 -0.04 0.02 0.00 0.07 -0.07 0.04 0.00 -0.08 0.01 -0.00 -0.01 0.04 0.00 -0.06 0.02 -0.01 -0.02 0.01 -0.01 0.00 0.04 -0.01 -0.06 0.08 0.01 -0.02 0.14 0.01 -0.02 -0.03 0.05 0.06 -0.05 0.07 0.02 -0.13 -0.12 -0.08 -0.07 -0.20 0.00 -0.03 -0.13 0.02 -0.07 0.13 -0.08 -0.08 -0.02 -0.09 -0.12 0.03 -0.17 -0.02 0.04 0.06 -0.07 0.07 0.06 0.02 -0.21 -0.11 0.03 0.14 -0.03 -0.17 -0.09 0.17 -0.01 0.02 -0.14 0.02 0.12 -0.08 0.02 0.11 -0.08 0.01 -0.09 -0.20 0.15 0.10 -0.14 -0.11 -0.03 0.24 -0.13 0.05 -0.24 0.30 -0.04 -0.03 0.03 -0.03 -0.04 0.03 -0.02 -0.08 0.05 0.03 0.03 0.17 0.02 0.02 0.16 -0.01 -0.07 -0.01 0.03 -0.06 -0.02 -0.10 -0.01 -0.02 -0.00 0.05 -0.02 0.01 0.01 -0.01 -0.00 -0.01 -0.01 -0.01 -0.04 -0.06 0.03 0.02 0.02 -0.00 0.05 -0.02 0.01 -0.02 -0.02 -0.03 -0.04 -0.00 0.01 -0.01 0.01 0.00 -0.01 -0.03 0.04 0.01 0.03 0.00 -0.01 -0.01 0.00 0.03 -0.00 0.00 0.02 0.03 0.01 -0.04 0.00 0.00 0.00 -0.04 -0.01 0.10 0.03 -0.00 -0.05 0.06 0.00 -0.02 0.10 0.01 -0.02 0.02 -0.01 -0.01 0.01 -0.01 -0.04 -0.14 0.07 0.04 -0.07 -0.06 0.04 -0.01 0.07 -0.01 0.04 -0.04 0.04 0.02 0.02 0.07 0.03 -0.00 0.07 -0.01 0.00 -0.02 0.04 -0.01 -0.02 -0.18 0.32 0.20 -0.15 -0.28 0.11 0.21 0.10 -0.22 0.17 -0.05 0.01 -0.07 -0.04 0.07 0.02 0.11 -0.11 0.00 0.03 0.06 -0.04 -0.03 0.04 -0.19 -0.04 0.40 -0.22 0.00 -0.16 0.29 0.01 0.10 0.04 -0.02 -0.03 0.02 -0.01 -0.06 0.04 -0.01 0.01 0.12 0.01 0.01 0.11 0.02 -0.05 -0.01 0.02 -0.03 -0.02 -0.02 -0.02 -0.02 -0.01 0.03 -0.00 0.01 -0.00 -0.02 -0.01 -0.03 -0.01 -0.02 -0.01 0.01 0.06 0.00 0.01 -0.01 0.03 -0.01 -0.01 -0.02 -0.01 -0.01 -0.02 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.04 0.04 -0.02 0.00 -0.03 0.05 -0.02 -0.00 0.03 -0.01 -0.00 0.01 0.01 0.00 -0.02 -0.01 -0.00 0.00 -0.03 -0.01 0.05 0.01 -0.01 -0.03 0.03 0.00 -0.01 0.05 0.00 -0.01 -0.02 -0.01 -0.03 -0.00 -0.03 -0.01 0.06 0.05 0.03 0.01 0.11 -0.01 -0.02 0.05 -0.02 0.01 -0.05 0.03 0.01 0.01 0.03 0.03 -0.01 0.07 -0.01 -0.03 -0.02 0.02 -0.02 -0.01 0.28 -0.33 -0.24 0.22 0.48 -0.14 -0.29 -0.01 0.25 -0.16 0.06 0.06 0.13 -0.03 -0.06 0.03 -0.16 0.21 0.00 0.03 0.08 -0.06 -0.04 0.06 -0.10 -0.02 0.20 -0.12 -0.01 -0.08 0.13 0.01 0.05 0.01 -0.01 -0.02 0.01 -0.01 -0.03 0.02 0.00 0.01 0.07 0.01 0.01 0.06 0.01 -0.03 -0.02 0.04 -0.02 0.01 0.15 -0.08 -0.04 0.01 -0.02 0.03 -0.03 0.01 -0.03 -0.04 0.03 -0.01 -0.08 0.02 0.07 -0.05 -0.00 0.15 0.06 -0.04 -0.05 -0.05 0.05 -0.01 0.03 -0.03 -0.02 -0.05 0.03 -0.02 0.01 0.01 -0.02 -0.07 0.03 0.04 -0.03 -0.03 -0.06 0.01 0.08 -0.02 0.01 0.00 -0.01 0.01 -0.02 -0.03 0.01 0.01 -0.03 0.01 0.02 -0.01 0.00 -0.02 0.01 0.00 -0.00 0.04 0.00 -0.00 -0.02 -0.01 0.04 0.00 -0.09 0.02 0.35 -0.21 -0.08 0.08 0.27 0.01 -0.19 -0.21 0.05 0.10 0.06 -0.03 0.17 0.24 -0.08 0.32 -0.01 -0.05 -0.06 -0.06 0.07 -0.00 -0.03 -0.01 -0.04 -0.06 0.03 -0.03 -0.09 0.03 -0.01 -0.07 0.03 0.25 -0.15 -0.05 -0.10 -0.07 0.09 0.04 0.16 -0.19 -0.02 0.08 0.18 -0.16 -0.06 0.12 -0.06 0.01 0.07 -0.07 0.00 -0.03 0.02 0.02 0.02 -0.01 0.00 -0.02 -0.02 0.00 -0.02 -0.00 -0.00 0.02 0.05 0.00 0.02 0.05 0.01 -0.03 -0.02 -0.02 0.02 0.02 0.02 -0.05 0.02 0.00 -0.01 -0.05 -0.02 -0.00 -0.10 -0.02 -0.04 -0.05 -0.08 -0.03 -0.12 -0.00 0.02 0.06 0.01 0.04 -0.13 -0.02 -0.03 -0.01 -0.03 -0.02 -0.07 0.01 -0.01 0.03 0.03 0.04 -0.05 0.13 -0.00 0.05 -0.04 0.02 0.04 0.03 -0.02 0.05 0.01 0.04 0.03 -0.01 0.04 0.02 0.01 0.02 0.17 0.01 -0.04 0.05 -0.03 0.02 0.02 0.02 0.00 -0.01 -0.01 -0.00 -0.08 -0.03 -0.03 -0.06 -0.11 -0.01 -0.24 0.05 0.02 -0.13 -0.12 0.07 -0.06 0.05 -0.02 0.02 -0.07 0.04 0.07 0.14 0.03 0.18 -0.03 0.10 -0.15 -0.05 -0.02 0.03 0.06 0.05 0.04 0.05 -0.03 0.02 0.27 -0.00 -0.19 0.15 0.03 0.30 -0.13 0.06 -0.09 -0.17 0.12 0.07 0.15 -0.10 0.02 -0.01 -0.08 0.09 0.08 -0.04 0.27 -0.03 -0.22 0.30 0.09 0.09 0.03 -0.03 -0.05 0.06 -0.06 0.05 0.06 -0.05 -0.03 0.03 0.07 -0.01 -0.03 0.02 -0.02 -0.01 -0.06 0.01 0.01 0.01 -0.05 -0.02 -0.01 -0.01 0.02 -0.00 0.01 -0.00 0.01 -0.00 0.01 0.01 0.00 0.01 0.02 -0.01 0.05 0.05 -0.01 -0.10 -0.05 0.01 -0.02 0.00 0.03 0.00 0.01 -0.02 -0.04 -0.00 0.04 0.02 -0.01 -0.03 -0.02 -0.01 0.02 -0.00 0.02 -0.00 0.02 -0.01 -0.01 0.01 -0.01 -0.00 0.01 -0.01 0.01 0.02 -0.01 0.00 0.01 -0.01 0.02 0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.02 -0.00 0.00 0.02 0.03 0.00 0.02 0.01 -0.01 0.22 -0.02 -0.00 0.07 0.22 -0.04 -0.06 -0.02 0.00 0.03 0.03 -0.01 -0.13 -0.27 0.12 -0.32 0.02 -0.07 -0.02 0.01 0.04 0.04 -0.01 -0.03 0.05 -0.13 -0.06 0.03 0.13 -0.02 -0.12 -0.03 0.12 0.40 -0.17 0.02 -0.30 -0.06 0.25 -0.05 0.31 -0.34 0.02 -0.00 -0.01 0.03 -0.02 -0.01 0.01 -0.02 0.03 0.01 -0.02 0.02 0.01 0.01 0.03 0.01 -0.00 0.01 0.01 -0.00 0.01 0.01 -0.00 -0.01 -0.02 -0.00 -0.01 -0.02 -0.00 0.01 -0.01 0.00 -0.04 -0.04 -0.01 -0.02 0.02 0.00 0.01 -0.02 -0.01 0.01 -0.03 -0.00 0.03 -0.02 -0.02 -0.00 -0.01 -0.02 0.01 -0.02 -0.01 0.01 -0.04 0.00 0.03 -0.02 -0.02 -0.02 0.00 0.02 -0.01 0.01 0.01 -0.01 -0.00 0.03 -0.00 0.02 0.02 -0.03 0.02 0.00 -0.00 0.02 0.00 0.01 0.01 -0.00 0.02 0.02 0.00 0.01 0.06 -0.00 0.01 0.02 -0.01 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.03 -0.00 -0.03 -0.01 0.31 -0.19 -0.08 0.00 0.34 0.04 -0.30 -0.20 0.06 0.19 0.13 -0.02 -0.05 -0.18 0.20 -0.23 0.03 -0.17 -0.06 -0.00 0.04 0.04 0.00 -0.01 -0.06 0.13 0.07 -0.04 -0.08 0.03 0.07 0.05 -0.09 -0.27 0.12 -0.09 0.25 0.10 -0.23 0.08 -0.15 0.23 0.01 0.00 -0.01 0.03 0.01 -0.00 0.08 -0.03 -0.02 0.09 0.02 0.04 0.05 0.00 0.01 0.03 -0.02 0.02 0.02 -0.02 -0.01 0.01 0.01 -0.01 -0.01 0.01 -0.01 -0.00 -0.01 0.01 0.05 0.02 0.02 0.11 0.04 -0.01 -0.04 -0.01 -0.02 0.06 -0.03 0.03 0.01 -0.02 0.01 0.05 -0.07 0.03 0.06 -0.11 0.02 0.02 -0.06 0.02 -0.06 0.03 -0.03 0.06 -0.01 0.02 -0.05 0.04 -0.03 0.01 -0.00 -0.02 -0.05 0.15 -0.01 0.01 0.01 0.00 -0.03 -0.00 0.02 -0.00 -0.00 -0.03 -0.01 -0.00 -0.02 -0.02 -0.00 -0.01 -0.10 0.00 -0.01 -0.03 0.02 0.00 -0.02 -0.00 0.01 -0.02 0.00 0.01 0.01 -0.03 0.01 0.04 -0.11 0.05 -0.13 -0.04 0.01 0.05 -0.33 0.01 0.22 -0.05 0.05 0.33 0.14 -0.02 -0.02 -0.34 0.30 -0.31 0.01 -0.21 -0.08 0.05 -0.01 -0.01 -0.02 -0.02 -0.02 0.15 0.01 -0.01 0.19 0.02 -0.12 0.18 -0.04 0.00 0.02 0.01 0.03 -0.03 -0.03 0.03 0.02 0.04 -0.01 0.05 0.08 -0.09 -0.05 0.05 -0.14 0.06 0.04 -0.15 -0.07 -0.04 -0.09 0.02 -0.00 -0.05 0.04 -0.02 -0.03 0.03 0.03 -0.02 -0.01 0.01 -0.01 -0.01 0.01 -0.02 0.01 0.01 -0.03 -0.06 0.10 0.07 -0.06 0.01 -0.05 0.01 -0.03 0.00 0.03 -0.04 0.02 0.01 -0.04 -0.00 0.03 -0.06 -0.09 0.06 -0.02 0.09 0.03 0.02 0.07 -0.01 -0.04 0.01 -0.03 0.01 0.03 -0.02 -0.01 -0.04 0.01 0.07 0.01 -0.07 0.00 -0.01 -0.03 0.02 -0.03 0.02 0.01 -0.03 0.01 0.04 -0.02 0.01 0.01 -0.04 0.01 0.00 -0.01 0.03 -0.03 -0.01 0.00 -0.02 0.00 0.00 -0.01 0.03 0.00 -0.01 0.03 -0.00 -0.04 -0.00 0.05 -0.07 0.00 0.00 -0.06 -0.09 0.19 0.06 -0.23 0.00 -0.04 0.52 0.23 -0.04 0.04 -0.18 0.43 -0.20 0.06 -0.27 0.09 -0.02 -0.06 -0.07 0.05 0.09 0.01 -0.11 -0.05 0.02 -0.03 -0.01 -0.00 -0.09 0.05 0.10 -0.05 0.06 -0.11 -0.06 0.10 -0.05 0.00 -0.08 -0.04 -0.02 -0.03 -0.01 0.07 -0.01 0.01 0.05 -0.08 0.01 0.07 -0.03 -0.03 -0.03 -0.07 -0.00 -0.00 -0.01 -0.01 0.00 -0.02 -0.01 0.01 0.01 0.05 0.00 0.01 0.04 0.01 -0.03 -0.04 -0.03 -0.02 -0.03 0.03 -0.06 0.00 0.02 0.00 0.02 0.01 -0.01 -0.04 0.01 0.02 -0.01 -0.05 0.01 0.09 0.08 -0.01 0.00 0.02 -0.03 -0.05 -0.03 0.08 -0.03 -0.03 -0.03 -0.01 -0.02 0.05 -0.01 0.01 0.01 0.03 -0.07 0.01 0.03 0.00 -0.01 -0.01 0.01 0.01 -0.01 0.01 0.02 -0.01 0.01 0.01 -0.01 0.01 0.01 0.05 0.01 0.01 -0.00 -0.01 -0.01 -0.00 0.00 -0.01 0.02 0.00 -0.01 -0.05 0.07 0.02 0.02 -0.06 -0.00 -0.24 0.30 0.17 0.08 -0.32 -0.12 0.46 0.32 -0.09 0.19 0.17 -0.05 -0.02 -0.14 0.14 -0.18 0.05 -0.20 -0.07 -0.05 0.09 0.00 0.00 0.00 0.02 -0.04 0.03 -0.02 -0.14 -0.03 0.12 -0.08 -0.02 -0.06 -0.01 -0.07 0.11 0.04 -0.08 0.07 -0.01 0.07 -0.01 0.01 0.02 -0.01 -0.00 0.02 0.07 -0.04 -0.01 0.08 0.06 0.03 0.05 0.01 0.01 0.02 -0.03 0.01 -0.00 -0.03 -0.04 -0.00 0.00 0.00 0.02 0.00 0.01 0.02 -0.00 -0.02 -0.04 -0.06 0.04 0.17 -0.07 -0.11 -0.08 -0.01 -0.05 -0.01 -0.02 -0.02 0.02 0.02 0.03 0.02 -0.01 -0.11 0.05 0.01 -0.03 -0.05 -0.12 0.07 -0.05 0.02 0.11 0.03 -0.05 -0.09 -0.01 0.03 0.07 -0.01 0.01 0.07 0.03 0.02 0.04 -0.02 0.12 -0.04 -0.03 0.03 0.01 -0.03 0.01 0.08 -0.02 0.00 0.05 -0.05 0.01 0.02 -0.04 0.03 -0.05 0.01 0.01 -0.01 0.01 0.01 -0.02 0.05 0.01 -0.02 0.10 0.08 0.05 0.08 0.02 -0.15 0.17 -0.04 -0.00 0.06 0.12 -0.09 0.01 -0.03 -0.00 -0.31 -0.38 0.09 -0.03 0.00 -0.16 0.10 -0.08 0.39 -0.09 0.01 0.14 0.01 0.05 0.09 0.04 0.04 0.06 0.00 -0.01 0.01 0.06 0.02 0.02 -0.13 0.08 -0.15 0.07 0.24 -0.08 -0.00 0.11 0.00 -0.05 -0.01 -0.04 0.01 0.08 -0.01 -0.02 0.10 -0.12 -0.02 0.09 -0.06 -0.09 -0.08 -0.11 0.03 0.02 -0.02 0.03 0.02 -0.00 0.00 0.01 0.00 0.07 0.01 0.01 0.06 0.01 -0.05 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.09 -0.10 -0.06 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 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 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.01 0.00 -0.05 0.01 0.01 -0.04 0.01 -0.00 -0.05 -0.01 0.10 -0.07 0.05 -0.03 0.25 0.04 0.00 0.02 -0.01 0.02 0.02 -0.02 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 0.01 -0.00 -0.00 0.00 0.01 0.01 -0.00 0.01 0.02 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.02 -0.01 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 -0.00 0.01 -0.00 0.01 -0.01 -0.01 -0.01 -0.01 -0.00 -0.01 0.11 -0.14 0.07 0.12 -0.01 0.04 0.17 -0.04 0.06 -0.13 0.53 -0.24 0.04 0.46 0.40 0.02 -0.12 -0.04 0.05 -0.14 -0.04 0.01 0.17 0.00 -0.08 -0.13 0.00 -0.10 -0.00 -0.05 0.03 0.08 0.03 0.05 -0.03 0.01 0.07 -0.01 0.01 0.03 -0.01 0.01 0.08 -0.13 -0.00 0.04 -0.07 0.03 0.13 0.06 -0.08 -0.06 -0.05 -0.03 0.06 0.05 -0.03 -0.06 -0.00 0.01 -0.00 0.08 0.03 -0.07 0.08 0.01 -0.05 -0.01 0.05 -0.06 0.04 -0.01 -0.07 0.04 -0.03 -0.04 0.04 0.00 0.17 0.01 0.08 -0.07 0.00 -0.04 -0.05 -0.01 -0.01 0.03 0.00 -0.02 0.05 -0.07 -0.00 0.07 -0.01 -0.01 0.06 -0.14 -0.06 0.08 -0.17 -0.03 0.12 -0.15 0.06 0.03 -0.12 0.03 0.04 -0.07 0.02 0.03 -0.05 0.08 0.17 0.09 -0.11 -0.10 -0.02 -0.00 -0.01 0.04 -0.02 0.06 0.14 0.09 -0.09 0.08 0.07 0.00 0.09 0.07 -0.20 0.12 0.14 -0.17 0.04 -0.15 -0.01 0.03 0.11 -0.11 -0.06 0.08 0.23 -0.21 0.07 0.27 0.14 0.14 0.26 0.10 0.12 -0.05 -0.04 0.00 -0.10 -0.03 -0.08 -0.07 -0.03 0.03 0.08 -0.02 0.04 0.06 0.03 -0.08 -0.04 0.04 -0.08 -0.17 0.01 -0.02 -0.06 -0.05 -0.08 0.02 -0.01 0.05 0.03 -0.02 0.02 0.01 -0.00 0.05 0.07 -0.08 0.03 0.01 0.02 -0.02 0.07 0.02 -0.07 -0.06 0.01 -0.03 0.03 0.01 -0.05 0.02 0.01 0.06 -0.02 0.04 -0.01 -0.02 -0.01 0.01 0.03 0.03 -0.04 -0.02 -0.03 0.19 -0.01 -0.03 0.21 -0.03 -0.02 0.09 -0.10 0.01 -0.09 0.10 -0.01 0.02 0.06 0.02 -0.05 0.10 0.02 -0.06 0.02 -0.08 0.01 0.04 -0.03 0.05 0.01 -0.05 0.02 0.07 -0.18 -0.01 0.16 -0.06 0.07 0.03 0.10 -0.01 0.01 -0.00 -0.00 -0.01 0.01 -0.09 0.10 0.05 -0.09 0.18 0.07 0.07 -0.03 0.01 -0.03 0.02 0.08 0.04 -0.07 0.04 0.02 0.04 0.02 0.08 -0.10 -0.05 0.07 -0.06 -0.03 -0.05 -0.07 -0.08 -0.24 0.23 0.15 -0.11 -0.08 0.21 -0.22 -0.10 0.09 -0.13 -0.22 -0.23 -0.22 0.18 -0.00 0.02 0.18 0.00 0.01 0.06 0.05 -0.04 0.12 0.05 -0.02 0.12 0.00 -0.10 0.00 0.09 -0.01 0.14 -0.04 -0.00 0.15 0.07 0.04 -0.02 0.04 0.08 0.04 0.00 0.04 0.01 0.07 -0.03 0.04 -0.02 0.07 -0.05 0.09 0.01 -0.04 0.01 0.00 0.03 0.06 -0.03 -0.06 -0.02 -0.04 -0.05 -0.03 0.01 -0.05 -0.01 -0.06 0.06 -0.11 0.02 -0.03 -0.06 -0.06 -0.10 -0.04 0.04 -0.13 -0.03 0.07 -0.04 -0.03 0.05 0.05 -0.06 0.02 -0.12 -0.00 -0.05 -0.12 -0.00 -0.06 0.12 0.03 -0.08 0.15 -0.03 0.07 0.04 0.03 -0.03 0.10 -0.05 0.05 0.05 0.00 -0.00 0.06 -0.06 0.13 -0.11 0.16 0.03 -0.04 0.10 -0.06 -0.02 0.07 -0.04 -0.07 0.05 0.02 -0.01 -0.02 0.01 -0.04 -0.02 -0.06 -0.05 -0.01 -0.07 -0.04 -0.02 -0.06 0.10 -0.08 0.08 0.09 -0.25 -0.05 0.13 -0.07 0.13 -0.12 -0.15 -0.24 0.14 0.06 -0.13 0.09 -0.17 -0.00 0.11 0.06 0.04 0.10 -0.06 0.02 -0.06 -0.00 -0.05 -0.06 0.01 -0.05 -0.16 -0.03 0.04 0.26 0.00 0.12 0.22 0.08 -0.29 0.03 0.14 -0.01 -0.03 0.06 0.08 0.11 0.01 0.03 -0.01 -0.04 -0.13 -0.06 0.00 -0.06 -0.04 -0.02 0.02 -0.03 -0.00 -0.14 0.13 -0.14 0.06 -0.01 -0.03 0.03 -0.00 0.06 0.07 0.02 -0.01 0.08 -0.01 -0.01 -0.01 0.06 0.01 0.06 -0.05 0.10 -0.04 -0.00 -0.04 -0.06 -0.03 -0.05 0.01 -0.05 -0.04 0.05 -0.00 -0.04 0.03 -0.01 -0.06 -0.00 -0.04 -0.00 -0.01 -0.05 -0.00 -0.03 0.06 0.01 -0.04 -0.18 0.08 -0.09 -0.12 0.06 0.02 -0.08 0.02 -0.12 -0.04 -0.04 -0.11 -0.01 0.02 -0.16 0.32 -0.30 -0.00 0.10 -0.11 0.28 0.09 -0.11 0.14 -0.01 -0.10 0.02 0.02 -0.01 -0.01 0.10 0.03 0.09 0.05 0.02 0.04 0.05 0.04 0.02 -0.13 0.04 -0.16 -0.03 0.28 -0.01 -0.09 0.10 -0.10 -0.07 -0.11 -0.19 0.13 0.06 -0.11 -0.01 -0.07 -0.00 -0.00 -0.03 -0.01 0.00 -0.07 -0.01 -0.02 0.02 -0.03 0.00 0.02 0.01 -0.07 -0.01 0.01 0.12 0.01 0.05 0.10 0.04 -0.14 -0.01 -0.06 0.03 -0.12 0.00 0.05 -0.04 0.00 -0.01 0.05 0.04 -0.07 0.09 0.06 -0.01 0.05 0.18 -0.05 0.05 -0.07 -0.09 0.07 -0.08 0.09 -0.08 0.02 0.05 -0.01 0.07 0.01 -0.15 -0.03 0.01 -0.01 -0.00 0.02 -0.06 -0.03 -0.09 0.09 -0.11 0.02 0.00 0.01 0.01 0.01 0.02 0.00 0.01 0.02 -0.01 -0.00 0.02 -0.01 0.01 0.02 0.00 0.02 0.00 0.00 0.02 0.00 0.01 -0.01 -0.00 0.01 0.11 0.13 -0.00 0.04 0.24 -0.07 0.02 -0.10 -0.19 0.05 -0.13 -0.10 0.08 -0.13 0.01 0.12 -0.28 0.06 0.06 -0.08 0.17 0.04 -0.02 0.26 -0.11 0.08 0.08 -0.03 0.00 0.02 0.02 -0.01 -0.03 -0.12 -0.06 -0.20 0.04 -0.03 -0.14 0.11 -0.14 -0.01 0.22 -0.28 -0.15 0.26 0.02 0.23 0.02 0.01 0.03 -0.01 0.00 0.02 0.01 0.02 -0.00 0.01 0.03 0.01 0.01 0.02 0.00 0.02 -0.01 0.01 0.00 -0.01 -0.01 0.02 0.00 -0.00 -0.04 -0.00 -0.02 -0.03 -0.01 0.04 -0.08 0.09 0.01 0.06 -0.03 -0.04 0.04 -0.02 0.05 -0.12 0.03 0.04 -0.09 0.02 0.00 -0.10 0.04 -0.05 0.12 -0.11 -0.02 0.01 0.06 0.13 0.01 0.02 -0.03 -0.07 0.05 -0.05 0.07 0.04 -0.04 -0.05 0.00 0.06 0.00 -0.05 0.00 0.00 0.02 0.04 0.01 -0.01 -0.04 -0.01 -0.04 0.02 0.07 -0.01 -0.12 0.06 -0.02 -0.07 -0.01 -0.04 -0.02 0.04 0.01 -0.01 0.08 -0.00 0.04 -0.07 -0.02 0.06 -0.03 -0.04 0.01 -0.07 0.02 -0.06 0.16 -0.13 -0.03 0.15 -0.21 -0.30 0.32 -0.15 0.18 0.17 0.01 0.09 -0.00 0.14 0.30 0.04 0.04 0.10 0.02 -0.02 -0.05 -0.02 0.02 0.07 -0.09 -0.09 -0.08 0.01 -0.08 0.04 0.01 -0.11 0.10 0.03 0.08 0.13 -0.06 -0.02 0.09 -0.05 -0.04 -0.01 0.04 -0.12 -0.09 0.03 0.10 -0.09 0.00 -0.02 -0.05 -0.00 0.00 -0.05 -0.01 -0.10 -0.06 -0.05 0.03 -0.04 -0.01 0.03 0.04 0.09 0.01 0.01 -0.18 0.00 -0.08 -0.15 -0.06 0.21 -0.04 0.02 0.03 -0.02 -0.02 0.01 0.01 -0.00 0.02 -0.04 -0.07 0.03 0.10 -0.08 0.04 0.00 0.09 -0.05 0.03 0.05 0.03 0.03 0.02 -0.05 0.04 -0.09 0.03 -0.02 0.06 -0.03 -0.06 -0.13 0.05 -0.03 -0.00 0.05 0.01 0.14 0.04 -0.07 -0.06 -0.12 -0.00 -0.00 -0.01 -0.02 -0.01 0.02 0.02 0.00 -0.06 0.02 -0.00 -0.04 0.00 -0.01 -0.01 0.01 0.01 -0.02 0.03 -0.00 0.02 -0.03 -0.01 0.03 0.21 -0.10 0.07 0.01 0.13 -0.07 0.06 0.10 0.20 0.05 0.07 -0.06 0.09 0.13 -0.04 0.07 0.14 -0.04 0.03 0.09 -0.01 0.09 -0.05 -0.19 0.08 -0.01 0.00 -0.03 0.01 0.06 0.22 0.22 0.22 0.09 0.26 0.06 -0.12 0.30 -0.17 -0.14 -0.16 -0.29 -0.02 0.12 -0.12 -0.06 0.00 -0.16 0.01 -0.07 -0.04 0.00 0.06 -0.04 0.02 -0.01 -0.03 0.02 0.04 -0.02 0.01 -0.06 -0.03 -0.03 0.01 -0.02 -0.02 0.01 0.01 0.04 0.00 0.01 -0.08 -0.00 -0.03 -0.06 -0.02 0.09 -0.04 0.09 0.00 -0.03 0.01 -0.01 0.05 0.02 0.06 0.13 -0.06 -0.04 0.08 -0.00 0.06 0.07 -0.05 0.03 -0.05 0.07 0.01 0.03 -0.11 -0.10 -0.04 0.05 0.06 -0.01 -0.02 -0.01 0.05 0.07 -0.09 -0.05 0.02 0.11 -0.05 -0.01 -0.04 0.03 0.00 0.04 -0.04 -0.00 -0.03 -0.07 -0.04 0.13 0.02 -0.02 -0.12 0.02 -0.01 -0.09 -0.00 -0.04 -0.02 -0.01 0.01 -0.05 0.05 -0.00 0.03 -0.04 -0.01 0.04 0.03 0.08 0.05 0.10 0.00 -0.01 -0.10 0.11 0.06 -0.08 0.12 0.22 -0.18 0.13 -0.17 -0.08 -0.09 -0.08 0.04 -0.20 -0.23 -0.02 -0.08 -0.06 -0.16 0.10 0.16 0.05 0.06 0.12 -0.21 -0.03 -0.14 -0.03 -0.05 0.07 -0.07 -0.06 0.07 0.07 0.09 0.18 -0.01 -0.12 0.04 0.02 -0.06 0.07 -0.01 -0.10 -0.06 -0.07 0.13 -0.09 0.05 -0.01 -0.13 0.05 0.15 -0.06 -0.00 -0.23 -0.12 -0.11 0.06 -0.09 -0.06 0.05 0.03 0.04 0.02 0.04 -0.11 0.02 -0.05 -0.09 -0.05 0.14 -0.02 0.03 -0.01 0.00 0.00 -0.02 0.02 0.01 0.03 0.06 0.04 0.02 -0.01 0.00 -0.08 0.02 -0.07 0.04 -0.01 -0.03 0.04 -0.02 0.02 -0.01 0.07 0.04 -0.12 -0.00 -0.02 -0.01 -0.17 -0.01 0.17 -0.02 0.01 0.04 0.04 -0.03 -0.02 0.02 0.06 0.03 -0.01 0.00 -0.01 -0.03 -0.02 0.06 0.01 -0.01 -0.05 0.01 -0.00 -0.04 -0.00 -0.01 -0.01 -0.01 0.01 -0.02 0.02 -0.00 0.01 -0.01 -0.00 0.02 -0.04 -0.08 -0.09 0.02 -0.17 0.08 -0.04 -0.07 -0.09 -0.03 -0.03 0.15 -0.09 -0.08 0.06 -0.09 0.05 0.01 -0.02 -0.04 -0.09 -0.06 0.05 0.01 0.29 0.03 -0.30 0.03 0.03 0.04 0.32 -0.05 0.12 -0.11 -0.04 -0.37 0.27 -0.04 -0.12 0.02 -0.09 -0.16 0.13 0.08 -0.07 0.15 0.25 0.11 0.01 -0.03 -0.01 -0.04 0.04 -0.03 0.02 -0.00 -0.06 0.03 0.07 -0.03 -0.00 -0.10 -0.05 -0.04 0.02 -0.04 -0.02 0.02 0.01 0.02 0.01 0.01 -0.04 0.01 -0.02 -0.03 -0.02 0.05 -0.02 0.02 0.01 0.03 -0.00 -0.00 -0.00 0.09 -0.07 -0.03 -0.08 0.00 0.02 -0.03 0.04 -0.01 -0.01 -0.01 -0.00 0.02 0.01 0.03 -0.05 -0.05 0.02 0.05 -0.02 -0.01 0.01 0.00 -0.04 0.04 0.02 -0.09 -0.05 -0.03 -0.02 -0.01 -0.03 0.02 0.04 0.04 -0.07 -0.04 0.00 -0.01 -0.03 -0.14 -0.01 0.03 0.05 -0.10 0.04 0.16 0.01 -0.08 0.01 0.10 0.02 -0.00 0.15 0.02 0.02 -0.02 -0.01 0.03 0.05 -0.05 0.05 -0.01 0.05 -0.03 0.04 0.05 0.14 0.00 0.08 -0.01 -0.00 0.09 -0.07 0.04 -0.00 -0.04 0.03 -0.01 -0.04 0.07 -0.09 -0.11 0.08 0.10 -0.06 -0.15 -0.10 -0.05 0.01 -0.04 -0.05 -0.07 -0.03 -0.13 0.06 -0.05 -0.01 0.05 0.04 0.06 0.03 -0.03 0.01 0.06 0.07 0.09 -0.25 -0.17 -0.31 0.32 0.05 -0.08 -0.01 -0.21 0.12 -0.01 -0.21 0.07 0.06 0.15 0.13 0.13 -0.02 0.04 0.08 -0.01 -0.05 0.17 -0.01 -0.03 -0.16 -0.04 -0.17 -0.13 -0.03 0.25 -0.00 0.01 -0.02 0.01 -0.00 -0.00 -0.00 0.07 -0.01 0.14 0.17 -0.01 -0.01 0.07 -0.09 0.04 -0.02 0.04 -0.01 -0.03 -0.01 -0.05 0.08 0.06 -0.03 -0.08 0.04 0.01 -0.01 -0.00 0.06 -0.08 -0.02 -0.04 -0.03 -0.00 0.03 0.02 0.06 -0.04 -0.08 -0.08 -0.06 -0.02 -0.01 -0.04 -0.03 0.00 -0.01 0.01 -0.00 -0.06 0.03 0.04 0.01 -0.05 0.00 0.05 0.02 -0.02 0.10 0.01 0.02 -0.02 -0.01 0.03 -0.09 0.14 -0.11 0.07 -0.15 0.09 -0.14 -0.09 -0.32 -0.04 -0.14 0.19 -0.10 -0.16 0.12 -0.13 -0.02 0.06 -0.04 -0.09 -0.04 -0.17 0.18 0.21 -0.15 -0.18 0.13 -0.02 -0.03 -0.01 -0.01 0.06 0.08 0.12 0.06 0.22 -0.12 0.09 0.01 -0.09 -0.09 -0.12 -0.05 0.04 -0.04 -0.10 -0.12 -0.15 -0.12 -0.07 -0.12 0.08 0.02 -0.04 0.03 -0.12 -0.00 0.04 -0.01 0.02 0.04 -0.04 0.01 0.04 0.01 -0.01 0.02 0.01 -0.02 0.10 0.00 -0.00 -0.11 -0.01 -0.11 -0.09 -0.03 0.17 -0.04 0.07 0.03 -0.04 -0.01 -0.03 0.03 -0.14 -0.06 0.06 0.03 0.01 0.02 0.00 -0.03 0.02 -0.02 -0.01 0.01 -0.00 0.02 -0.00 0.00 -0.01 -0.02 -0.01 -0.00 -0.02 0.01 -0.04 0.01 -0.00 0.00 -0.01 -0.00 0.13 0.01 -0.00 0.01 -0.00 0.00 -0.00 0.07 -0.05 0.08 0.07 0.10 -0.10 0.01 0.01 -0.10 0.01 -0.11 0.13 0.01 0.17 0.02 -0.07 -0.01 -0.05 -0.06 -0.02 0.01 -0.01 -0.00 0.01 0.03 0.01 -0.03 0.04 -0.08 0.00 -0.04 -0.01 -0.04 -0.01 -0.03 0.10 -0.03 -0.02 0.02 -0.05 0.00 0.00 0.00 -0.06 -0.07 -0.05 0.03 0.02 -0.05 -0.04 0.02 -0.09 -0.13 0.08 -0.01 -0.01 -0.00 0.02 -0.00 0.02 -0.00 -0.01 0.02 -0.01 0.00 -0.01 0.00 0.02 -0.00 -0.01 0.00 -0.01 -0.14 -0.30 -0.36 0.48 0.23 -0.09 -0.05 0.19 0.12 -0.06 -0.01 0.04 0.01 0.32 0.10 -0.11 -0.01 -0.05 -0.11 -0.01 -0.03 -0.07 0.01 0.05 0.02 0.03 0.07 0.01 -0.02 -0.04 -0.00 -0.02 0.02 -0.02 -0.00 -0.01 0.05 0.03 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.02 0.05 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.05 0.04 -0.00 0.06 -0.01 -0.03 0.00 -0.05 0.01 -0.04 -0.01 0.02 -0.00 -0.01 -0.00 0.01 -0.03 -0.01 0.01 -0.10 -0.02 -0.00 0.03 0.01 0.01 -0.00 0.00 0.01 -0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 0.01 -0.01 0.00 0.00 -0.00 0.01 0.00 -0.00 0.01 0.01 0.00 0.00 -0.00 -0.00 0.08 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 -0.10 0.10 -0.02 -0.07 0.05 -0.00 -0.04 0.07 0.03 -0.06 -0.12 -0.01 -0.04 0.02 0.01 0.00 0.27 -0.30 -0.04 0.16 0.36 -0.03 0.32 0.07 -0.06 0.56 0.11 0.04 -0.36 -0.07 0.08 -0.03 -0.09 0.04 0.02 0.05 -0.06 -0.02 -0.03 -0.06 -0.03 0.00 -0.03 -0.01 -0.01 -0.00 0.03 0.02 -0.01 0.00 -0.01 0.00 0.00 0.00 -0.02 -0.01 -0.01 0.05 0.04 0.04 0.00 0.01 0.00 0.02 -0.12 -0.05 0.00 -0.00 0.00 0.00 0.02 0.01 0.02 -0.15 -0.01 -0.13 0.07 0.13 -0.05 0.07 -0.02 -0.02 -0.00 -0.00 0.02 0.16 0.04 -0.01 -0.00 -0.08 0.09 -0.07 0.00 -0.01 0.01 0.04 -0.03 -0.03 -0.01 -0.06 0.04 0.04 0.03 0.01 0.04 0.00 0.02 -0.07 0.02 0.01 -0.01 0.05 0.01 -0.00 -0.00 0.07 0.06 0.05 -0.03 -0.04 -0.02 -0.02 -0.01 0.12 -0.18 -0.09 -0.01 -0.01 -0.01 -0.00 -0.01 -0.01 0.01 -0.02 0.02 -0.00 0.02 0.01 0.00 0.02 0.01 -0.00 0.01 0.00 0.02 -0.17 -0.02 0.11 -0.20 -0.00 0.12 0.02 -0.06 0.16 0.44 0.05 0.11 0.04 -0.03 0.05 0.10 -0.18 -0.13 0.05 0.07 0.05 0.21 0.09 -0.16 0.38 -0.03 -0.06 -0.29 0.14 -0.05 0.04 -0.05 0.09 0.03 -0.05 0.01 -0.04 -0.00 -0.01 0.04 -0.06 -0.04 0.10 0.22 -0.05 -0.07 0.12 -0.03 0.02 -0.12 -0.01 -0.00 0.03 0.20 0.09 0.08 -0.05 -0.13 0.04 -0.05 -0.06 -0.02 -0.01 0.01 -0.03 -0.04 0.04 -0.05 -0.02 -0.13 -0.05 0.02 -0.01 0.00 -0.01 0.02 -0.01 -0.01 0.00 0.00 0.02 -0.03 0.02 0.00 0.03 0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.31 0.21 0.14 0.05 0.17 -0.04 -0.03 0.02 -0.13 -0.03 0.03 -0.13 -0.03 0.02 -0.12 0.02 -0.13 0.01 -0.01 -0.03 0.08 -0.05 0.06 0.16 0.40 0.28 -0.07 0.01 -0.01 -0.04 0.13 0.10 0.09 -0.01 0.12 -0.07 -0.10 0.14 -0.19 0.03 -0.11 0.00 -0.04 -0.23 -0.06 0.01 -0.12 -0.02 0.01 -0.01 -0.01 0.04 -0.02 0.01 0.00 0.02 0.01 0.01 0.03 0.01 0.01 0.05 0.01 0.02 0.00 -0.01 -0.01 -0.00 0.00 0.00 0.03 0.01 -0.01 0.05 0.00 -0.00 -0.03 0.01 -0.06 0.07 0.01 0.03 -0.01 -0.00 -0.14 0.02 -0.02 0.06 0.01 0.00 -0.00 0.00 -0.01 -0.00 0.01 0.01 0.01 0.00 0.03 0.02 -0.02 -0.02 -0.00 -0.00 -0.00 -0.04 0.03 -0.01 0.00 -0.00 -0.00 -0.10 -0.07 0.03 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.17 -0.02 0.04 -0.06 -0.03 -0.07 0.05 0.09 0.03 0.13 0.15 -0.04 0.00 -0.11 -0.01 0.01 -0.03 0.07 -0.08 -0.09 -0.03 0.00 0.02 -0.02 -0.02 0.02 -0.01 0.02 -0.01 0.01 -0.04 0.00 -0.02 -0.01 -0.01 0.12 -0.04 -0.01 0.00 -0.02 -0.02 -0.01 0.02 -0.08 -0.06 -0.02 -0.00 -0.00 -0.01 -0.01 0.01 -0.15 -0.15 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 0.36 -0.24 0.09 0.23 -0.04 0.04 0.03 -0.25 -0.00 0.05 -0.06 0.02 0.06 -0.04 0.02 0.18 0.02 0.02 -0.09 -0.04 0.10 -0.09 0.20 -0.00 0.07 0.39 0.20 0.12 -0.20 -0.24 -0.12 0.04 0.05 0.05 -0.02 0.00 0.07 -0.14 0.06 0.10 0.01 0.01 -0.03 -0.00 -0.02 -0.02 0.06 -0.00 0.02 -0.00 0.07 0.04 -0.05 -0.04 -0.02 -0.01 -0.01 -0.07 0.06 -0.02 0.01 -0.00 0.00 -0.11 0.04 -0.08 0.01 -0.01 0.01 -0.00 0.00 0.00 -0.04 -0.04 -0.11 -0.03 0.06 -0.09 -0.11 -0.01 0.19 0.06 -0.12 -0.11 0.01 0.14 0.00 0.08 -0.00 0.07 0.10 0.00 -0.02 0.02 0.01 -0.02 -0.04 0.02 -0.03 0.01 0.03 -0.00 -0.05 0.00 0.01 -0.00 -0.02 0.22 -0.06 -0.01 0.03 -0.02 -0.03 -0.03 0.04 -0.14 -0.12 -0.02 -0.03 -0.03 -0.03 -0.04 -0.01 -0.26 0.05 -0.06 -0.01 -0.01 0.00 0.01 -0.01 0.01 0.00 -0.01 0.01 -0.01 0.00 -0.01 -0.00 0.02 0.00 -0.01 0.00 -0.01 0.15 0.11 0.22 -0.46 -0.16 -0.01 0.01 0.03 0.07 0.03 0.10 0.07 0.05 0.30 0.09 0.21 -0.01 0.07 0.12 -0.01 0.04 0.12 0.06 -0.05 -0.07 0.09 -0.12 -0.04 -0.07 0.09 0.00 0.07 0.05 -0.05 0.03 0.00 -0.01 -0.01 0.02 -0.10 0.03 -0.02 0.28 -0.06 -0.03 0.02 -0.20 0.00 -0.04 0.02 -0.16 -0.07 0.12 0.08 0.01 0.00 0.02 0.02 -0.07 0.03 -0.02 0.01 0.00 -0.05 -0.03 0.03 -0.02 0.01 -0.02 0.01 0.04 0.03 -0.02 -0.06 -0.04 -0.01 0.01 -0.04 -0.02 0.01 0.06 0.02 -0.01 -0.07 0.00 0.04 -0.00 0.03 -0.00 0.05 0.02 -0.00 -0.01 0.01 0.00 -0.01 0.41 -0.14 0.01 0.01 -0.32 0.06 0.01 0.01 -0.15 -0.02 0.02 -0.32 0.03 0.01 -0.10 -0.01 0.08 0.06 -0.08 0.21 0.15 -0.03 0.11 0.09 -0.22 0.04 0.22 -0.11 -0.06 0.03 -0.07 0.01 -0.05 -0.02 -0.01 0.01 -0.01 -0.02 0.03 0.02 -0.00 -0.02 0.05 0.03 -0.02 0.05 0.09 0.06 0.09 -0.13 0.04 -0.13 -0.01 -0.05 0.01 -0.03 0.03 0.02 0.02 0.03 0.03 0.11 0.04 0.09 -0.00 0.05 0.04 -0.01 0.03 0.03 0.03 -0.03 0.00 0.04 -0.01 0.01 -0.02 -0.01 -0.04 -0.03 0.00 0.03 0.01 0.03 0.05 -0.13 -0.03 -0.02 0.00 -0.00 0.09 -0.03 -0.03 0.00 -0.01 0.02 -0.01 0.01 -0.03 -0.01 0.02 0.01 -0.02 -0.01 -0.01 -0.01 -0.01 0.03 -0.00 0.01 0.00 -0.02 0.16 -0.13 -0.00 0.00 -0.00 0.00 0.02 0.01 0.17 0.20 0.08 -0.16 -0.01 0.00 -0.09 0.03 0.00 0.08 -0.05 0.16 -0.03 -0.11 -0.01 -0.08 0.02 -0.16 0.07 -0.03 0.01 0.00 -0.01 0.04 0.12 -0.06 -0.03 -0.01 -0.05 0.04 -0.01 0.00 -0.03 -0.01 0.00 -0.04 -0.00 -0.00 -0.01 0.01 0.02 0.01 -0.01 0.05 0.03 0.01 0.01 -0.00 -0.13 -0.03 0.09 -0.05 0.23 -0.10 -0.04 0.00 -0.02 -0.00 -0.02 0.02 0.00 -0.02 0.02 0.00 0.00 -0.01 0.02 0.03 -0.00 0.02 0.05 0.02 0.07 0.40 0.11 0.17 -0.02 0.18 0.02 -0.24 -0.06 0.04 0.03 -0.00 0.01 -0.15 -0.04 0.00 -0.08 -0.06 -0.18 -0.05 -0.23 0.01 0.02 0.14 -0.15 0.13 -0.11 -0.10 -0.13 0.23 -0.14 -0.08 -0.12 0.13 -0.01 0.04 0.03 -0.02 -0.02 0.00 -0.00 -0.00 0.12 -0.04 -0.05 -0.03 0.06 0.17 -0.01 0.01 -0.04 0.01 -0.01 -0.01 0.01 -0.03 -0.03 -0.10 0.07 0.03 -0.01 -0.00 0.01 -0.05 0.02 -0.11 -0.01 0.01 -0.02 0.00 0.04 0.03 -0.08 0.02 0.01 0.00 -0.01 0.06 0.15 0.01 -0.14 -0.02 -0.02 0.08 0.00 0.04 0.02 0.09 -0.03 0.15 -0.08 -0.00 -0.01 -0.02 0.00 -0.03 -0.09 -0.07 -0.11 -0.03 0.02 0.19 -0.06 0.01 -0.09 -0.02 -0.01 0.05 -0.06 -0.01 -0.05 0.07 0.01 -0.01 0.00 0.08 0.06 0.06 -0.05 -0.05 -0.34 -0.09 0.25 0.02 0.05 -0.10 -0.08 0.00 -0.06 -0.00 -0.02 0.03 -0.03 -0.01 0.02 0.01 -0.03 -0.06 0.06 0.07 -0.02 0.05 0.13 0.05 -0.25 0.09 -0.14 0.11 -0.03 0.02 0.03 0.10 -0.05 0.02 0.15 -0.02 -0.01 -0.09 -0.05 0.03 0.02 0.10 0.10 -0.01 0.17 -0.01 0.03 -0.17 0.16 -0.04 0.20 0.11 0.08 -0.28 -0.07 -0.04 -0.06 0.07 -0.04 -0.01 -0.04 0.07 0.01 -0.01 -0.01 0.01 0.05 -0.02 -0.02 -0.01 0.03 0.18 -0.01 0.01 -0.04 -0.00 -0.01 -0.00 0.04 -0.02 -0.02 -0.06 0.11 -0.05 -0.01 -0.01 0.01 0.06 -0.03 0.09 -0.02 0.01 -0.03 0.00 0.03 0.03 0.09 -0.02 0.00 0.12 0.00 -0.03 -0.08 -0.09 0.11 -0.02 0.05 -0.06 0.04 -0.00 -0.02 -0.09 -0.02 -0.15 0.03 0.03 0.02 0.02 -0.00 0.03 -0.21 -0.01 -0.09 0.02 0.00 0.18 -0.06 0.02 -0.08 -0.02 -0.01 0.04 -0.06 -0.00 -0.06 0.06 0.02 -0.01 -0.00 0.09 0.06 0.07 -0.06 -0.05 -0.25 -0.07 0.22 0.12 -0.08 0.07 -0.07 0.01 -0.05 -0.00 -0.01 0.02 -0.05 0.00 -0.01 0.01 -0.03 -0.04 0.05 0.05 -0.01 0.05 0.10 0.04 0.24 -0.10 0.12 -0.03 0.00 0.00 -0.07 0.20 0.09 -0.12 -0.31 -0.03 -0.09 0.10 0.04 -0.18 0.05 -0.22 0.01 0.08 -0.02 -0.03 -0.07 0.16 -0.10 -0.11 -0.16 -0.09 0.01 0.23 -0.01 -0.06 0.03 -0.01 -0.07 0.04 0.00 -0.00 -0.01 0.10 0.03 0.01 -0.04 -0.10 0.11 -0.05 -0.11 0.00 -0.01 0.02 -0.13 -0.00 0.05 0.03 -0.04 -0.04 0.06 0.03 0.28 -0.12 0.03 -0.01 -0.02 0.01 -0.00 -0.03 -0.04 0.01 -0.02 0.03 0.04 0.01 0.00 0.00 -0.01 -0.01 -0.00 0.01 0.01 0.00 -0.02 -0.01 -0.00 0.02 -0.00 0.00 0.00 0.01 -0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.16 -0.10 0.17 -0.05 -0.25 0.07 -0.08 0.03 -0.18 -0.03 0.01 0.01 -0.08 0.03 -0.20 -0.06 0.01 0.04 -0.00 -0.08 -0.02 -0.11 0.13 0.12 0.50 0.11 -0.38 -0.02 0.04 -0.01 0.07 -0.00 0.02 -0.06 0.04 -0.12 0.00 0.03 -0.08 0.00 0.15 0.14 -0.07 0.03 0.10 -0.07 -0.11 -0.03 -0.03 0.08 0.01 0.00 -0.06 0.02 0.01 0.00 -0.01 0.01 0.04 -0.00 0.00 -0.03 -0.01 0.00 0.00 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 0.08 -0.06 -0.01 -0.02 -0.07 -0.04 0.02 -0.05 0.01 -0.13 -0.07 0.02 -0.05 0.13 -0.07 0.16 -0.05 0.16 -0.03 -0.01 -0.02 -0.03 -0.04 -0.01 0.01 0.08 0.01 0.07 0.15 -0.12 -0.02 0.03 -0.00 -0.05 0.02 0.09 0.05 -0.01 0.05 -0.03 -0.07 -0.05 -0.07 0.07 0.03 -0.06 0.01 -0.05 -0.02 0.06 0.01 0.04 -0.03 -0.04 -0.02 -0.03 -0.02 0.02 0.04 0.06 0.01 -0.03 -0.01 0.00 0.00 -0.01 -0.25 0.20 -0.12 0.18 -0.18 0.21 0.03 0.00 0.09 -0.01 0.04 -0.11 -0.00 0.01 -0.04 0.10 0.02 -0.02 -0.03 0.22 0.12 0.17 -0.17 -0.14 -0.06 0.07 0.06 -0.04 -0.03 0.07 0.04 -0.01 0.05 0.05 -0.02 0.06 0.06 -0.02 0.07 0.00 -0.08 -0.04 -0.02 -0.15 -0.09 0.00 -0.05 -0.02 -0.10 -0.04 -0.09 -0.10 0.32 -0.08 0.01 -0.21 0.00 0.05 0.03 0.04 0.06 0.07 0.03 0.15 -0.07 0.16 -0.07 -0.06 -0.09 0.02 0.04 -0.04 0.00 0.12 0.03 0.02 -0.05 -0.05 -0.05 -0.00 -0.04 0.03 0.02 0.01 -0.01 0.01 0.00 0.03 -0.01 0.02 0.05 -0.03 0.08 0.01 0.04 0.03 -0.02 -0.00 -0.08 0.01 0.01 0.01 -0.19 0.09 -0.13 -0.03 -0.03 0.04 -0.04 0.10 -0.04 -0.01 -0.00 -0.00 0.17 -0.02 0.21 -0.04 -0.11 -0.10 0.02 -0.00 0.00 0.03 -0.00 0.00 -0.00 -0.03 0.01 -0.00 0.01 -0.00 0.01 0.01 0.00 -0.00 -0.02 -0.02 -0.00 0.01 0.00 0.00 -0.00 0.00 0.21 -0.17 0.12 0.03 0.07 0.01 -0.00 0.02 -0.02 -0.02 0.05 -0.07 -0.03 0.05 -0.16 -0.03 -0.00 0.01 0.01 -0.05 -0.02 -0.04 0.04 0.04 0.02 0.27 -0.30 0.01 -0.02 -0.01 0.18 -0.11 0.13 0.08 -0.08 0.06 0.37 -0.15 0.34 -0.03 -0.06 -0.03 -0.08 -0.22 -0.10 -0.07 -0.18 -0.10 0.04 -0.03 0.02 0.03 -0.02 0.01 -0.01 0.08 0.02 -0.03 -0.05 -0.01 -0.03 0.01 0.00 -0.05 0.03 -0.06 0.03 0.03 0.04 -0.01 -0.01 0.01 -0.00 -0.05 -0.02 -0.01 0.02 0.02 0.03 -0.01 -0.09 0.02 0.03 -0.03 0.01 -0.03 0.02 0.05 -0.04 0.02 -0.03 -0.10 0.04 0.10 0.17 0.08 -0.01 0.00 -0.10 -0.03 0.07 0.06 -0.11 -0.14 -0.02 0.01 -0.14 0.05 0.04 -0.04 -0.00 -0.04 0.00 0.10 -0.05 0.01 -0.05 0.04 0.09 0.05 -0.05 0.06 0.04 -0.02 0.01 -0.04 -0.03 0.03 0.03 0.03 -0.02 -0.06 -0.01 -0.02 -0.02 -0.00 0.03 0.02 0.01 -0.02 -0.01 0.00 0.00 -0.01 -0.10 -0.11 0.02 0.14 0.29 0.02 -0.04 0.02 -0.08 -0.02 0.02 -0.02 -0.06 0.03 -0.18 -0.05 0.14 0.08 -0.03 0.09 0.04 -0.01 0.04 0.01 0.30 -0.10 -0.35 0.04 -0.09 0.05 -0.00 -0.01 -0.03 -0.07 0.02 -0.10 -0.04 0.02 -0.09 -0.03 0.16 0.10 -0.03 0.21 0.15 -0.06 -0.04 -0.03 -0.04 -0.12 -0.09 -0.06 0.35 -0.09 -0.01 -0.12 0.03 0.01 -0.07 0.03 0.02 0.09 0.04 0.08 -0.04 0.09 -0.04 -0.03 -0.06 0.01 0.02 -0.01 -0.01 0.07 -0.01 -0.00 -0.03 0.00 -0.05 0.01 -0.02 0.02 0.01 0.01 -0.01 0.02 -0.00 -0.07 -0.00 -0.01 0.06 0.08 -0.12 0.06 0.01 0.02 -0.00 -0.01 0.05 -0.01 -0.04 -0.02 -0.08 -0.02 0.13 -0.03 -0.03 0.04 0.03 0.00 -0.02 -0.04 0.01 -0.03 -0.03 -0.00 -0.01 0.02 0.00 -0.02 0.04 -0.01 0.00 0.02 -0.01 0.01 0.00 -0.05 -0.00 -0.01 0.01 0.01 0.01 0.02 0.01 0.00 -0.05 -0.01 0.00 0.02 0.00 0.00 0.00 -0.00 0.18 0.19 -0.09 0.04 -0.28 0.16 0.03 -0.02 0.04 0.00 -0.01 0.01 0.02 -0.03 0.09 0.08 -0.03 -0.04 -0.01 0.11 0.06 0.11 -0.11 -0.09 0.54 0.10 -0.37 -0.06 0.00 -0.03 0.07 0.00 0.04 -0.04 0.04 -0.08 -0.01 0.03 -0.08 -0.00 0.14 0.14 -0.08 -0.04 0.06 -0.07 -0.17 -0.05 0.07 -0.02 0.03 0.07 -0.09 0.04 -0.01 0.12 0.00 -0.02 -0.00 -0.02 -0.03 -0.02 -0.01 -0.10 0.06 -0.11 0.07 0.04 0.12 0.00 -0.02 -0.00 0.01 -0.10 -0.03 -0.01 0.03 0.01 0.02 0.09 0.16 -0.04 -0.04 -0.11 -0.01 0.03 -0.02 0.01 -0.07 0.03 -0.05 -0.00 0.02 0.14 0.06 0.09 -0.01 -0.01 -0.08 -0.04 0.03 0.05 -0.01 -0.03 -0.05 0.00 -0.03 -0.07 0.00 -0.01 0.01 -0.03 0.04 -0.08 0.00 -0.00 -0.01 0.00 0.01 0.02 0.08 -0.08 -0.06 -0.02 -0.02 0.02 0.01 -0.05 -0.05 -0.04 0.01 0.08 -0.01 0.03 0.03 0.00 -0.08 0.03 0.02 0.04 -0.00 0.00 0.01 -0.02 -0.27 0.02 -0.04 0.27 0.18 -0.01 -0.03 0.03 -0.00 -0.02 0.03 -0.02 -0.06 0.04 -0.19 -0.03 0.16 0.07 -0.03 0.13 0.04 0.05 -0.04 -0.06 -0.10 -0.07 0.02 -0.19 0.15 -0.02 -0.03 -0.00 -0.02 0.00 -0.01 0.01 -0.01 -0.00 0.00 -0.01 -0.01 -0.03 0.02 0.07 0.02 0.00 0.04 -0.00 0.12 0.11 0.14 0.09 -0.46 0.12 0.03 0.06 -0.06 0.03 0.18 -0.02 0.01 -0.10 -0.05 -0.16 0.08 -0.12 0.05 0.04 0.23 0.04 -0.00 -0.05 0.01 -0.14 -0.07 -0.00 0.03 -0.01 0.04 -0.04 -0.05 0.00 0.01 0.03 0.00 0.01 0.02 0.01 0.01 -0.00 -0.03 -0.01 0.02 -0.02 -0.03 -0.05 -0.00 -0.00 0.00 0.01 0.01 0.00 0.04 0.01 -0.01 0.03 0.02 0.01 -0.00 -0.00 0.01 -0.07 0.02 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.00 0.05 0.08 0.12 -0.04 -0.00 -0.02 -0.06 -0.09 -0.03 0.01 0.02 -0.07 -0.01 0.03 0.01 -0.07 -0.15 0.15 0.10 0.07 -0.03 0.05 0.04 -0.10 0.04 -0.04 0.04 -0.04 0.01 -0.05 0.01 -0.00 0.02 0.00 0.01 -0.02 0.02 0.00 0.01 -0.03 -0.01 0.01 0.01 -0.06 -0.03 -0.05 0.04 0.04 -0.10 -0.03 0.10 -0.12 -0.16 -0.07 -0.02 0.01 -0.01 0.01 -0.00 0.02 -0.02 0.00 0.00 0.00 -0.04 -0.03 0.02 -0.00 -0.02 0.02 0.04 0.02 0.03 -0.15 -0.09 0.22 0.28 0.01 0.02 -0.01 -0.04 0.03 0.14 0.01 0.03 -0.01 -0.01 -0.37 0.09 -0.09 -0.03 0.03 0.45 0.14 0.00 -0.10 -0.09 -0.17 -0.37 -0.05 0.01 0.09 -0.04 0.02 0.03 0.01 -0.01 -0.02 -0.00 0.00 -0.01 -0.01 0.02 -0.01 0.06 -0.01 -0.01 -0.04 0.02 0.04 0.01 0.01 0.02 0.00 -0.02 -0.02 -0.03 -0.01 0.01 -0.04 -0.01 -0.01 0.00 0.00 -0.01 0.13 -0.01 0.04 0.00 -0.00 0.01 0.01 0.00 -0.01 0.01 -0.06 -0.04 0.03 0.02 0.01 -0.01 0.05 -0.05 -0.04 -0.02 0.03 0.01 -0.04 -0.01 -0.15 0.06 0.17 0.10 -0.02 -0.05 0.06 -0.01 -0.11 -0.04 0.02 -0.04 -0.04 0.01 0.04 -0.02 -0.01 -0.05 0.00 -0.02 0.05 -0.01 -0.02 0.05 0.05 -0.04 -0.03 -0.00 0.03 0.03 0.03 -0.03 -0.01 0.09 0.04 -0.08 0.18 0.08 0.07 0.02 -0.01 0.01 -0.01 0.00 -0.02 0.03 -0.01 0.01 -0.00 0.04 0.03 -0.02 -0.01 0.01 -0.02 -0.04 -0.01 -0.02 0.10 0.04 -0.07 -0.14 0.00 -0.01 -0.02 0.01 -0.03 -0.10 -0.02 -0.02 -0.05 -0.01 -0.16 -0.18 0.39 -0.38 -0.16 -0.12 0.10 0.03 -0.05 -0.18 0.40 -0.32 -0.08 0.02 0.14 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 0.01 -0.00 0.02 0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.00 0.01 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.04 0.01 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.02 0.01 -0.01 0.01 0.00 -0.02 0.01 0.01 0.01 -0.01 0.01 0.01 0.01 0.01 0.00 -0.01 -0.01 0.04 0.01 0.01 -0.16 -0.03 0.05 -0.01 0.02 0.02 -0.04 0.01 0.00 0.00 0.02 -0.00 0.01 -0.02 -0.00 0.01 -0.03 -0.02 0.02 0.01 0.00 -0.01 -0.02 -0.01 0.00 -0.01 -0.02 -0.02 0.02 -0.07 -0.02 -0.03 -0.01 0.00 -0.01 0.00 -0.00 0.01 -0.01 0.00 -0.00 0.00 -0.01 -0.01 0.01 0.00 -0.00 0.01 0.01 0.00 0.01 -0.04 -0.01 0.05 0.01 0.01 -0.00 0.09 -0.00 -0.02 0.01 -0.02 -0.03 -0.04 -0.02 -0.02 0.00 -0.01 0.06 0.02 -0.02 -0.02 0.04 0.02 -0.06 0.61 0.15 -0.08 0.71 0.15 0.01 -0.00 0.02 -0.01 -0.01 -0.01 0.00 0.00 0.00 -0.01 0.02 -0.07 0.13 -0.02 0.01 -0.06 -0.07 0.03 0.02 0.00 0.09 -0.02 0.03 -0.02 -0.06 -0.03 -0.01 0.03 0.03 -0.03 -0.00 0.00 -0.01 0.03 -0.01 0.01 0.00 -0.00 0.02 0.02 0.01 -0.00 0.01 0.02 0.01 -0.03 -0.00 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.01 -0.03 0.01 -0.01 0.03 -0.03 -0.01 -0.01 0.02 0.01 -0.01 -0.03 0.01 -0.50 0.16 -0.17 -0.04 0.56 -0.26 0.01 -0.02 0.02 0.02 -0.03 0.07 0.02 -0.03 0.13 0.06 -0.10 -0.05 -0.03 0.08 0.11 -0.01 0.06 0.09 0.09 0.07 -0.13 0.01 -0.02 0.01 0.05 -0.02 0.03 -0.03 -0.00 -0.05 0.05 -0.01 0.02 -0.01 0.07 0.05 -0.03 0.02 0.04 -0.03 -0.06 -0.03 -0.01 0.02 -0.01 -0.00 0.06 -0.01 0.02 -0.17 -0.01 0.06 0.10 0.06 0.08 0.08 0.03 0.00 0.05 -0.10 0.07 0.04 0.10 0.00 0.02 -0.01 0.02 0.02 0.07 -0.00 0.16 -0.00 0.00 -0.01 0.01 -0.01 -0.00 0.01 -0.00 -0.01 0.01 0.00 -0.02 -0.02 0.02 0.01 -0.00 0.02 -0.05 -0.01 0.00 -0.02 0.02 -0.01 0.03 0.01 -0.01 -0.01 -0.01 0.02 0.02 -0.01 0.00 0.00 0.01 -0.08 0.04 -0.09 -0.00 0.01 -0.00 0.01 -0.01 0.00 -0.06 -0.03 0.06 0.07 0.00 0.03 0.01 -0.01 0.03 0.05 0.02 -0.05 0.07 -0.01 0.07 -0.04 0.07 -0.01 0.00 -0.04 -0.01 0.02 0.03 -0.00 -0.17 0.08 -0.06 0.04 0.23 -0.15 0.01 0.01 0.09 0.01 0.02 0.02 -0.00 0.02 -0.03 -0.01 -0.00 0.01 -0.02 0.03 0.03 -0.03 0.04 0.04 0.02 0.00 -0.03 -0.21 -0.04 -0.12 -0.01 -0.02 -0.03 -0.03 -0.02 -0.03 0.03 -0.02 0.03 -0.03 -0.01 -0.02 0.00 0.05 0.03 -0.02 -0.02 -0.04 -0.09 -0.20 -0.10 0.20 0.02 0.01 -0.01 0.48 -0.04 -0.14 -0.08 -0.17 -0.19 -0.36 -0.12 0.04 -0.09 0.15 -0.05 -0.05 -0.22 -0.04 -0.06 0.07 -0.06 0.05 -0.10 -0.01 -0.22 0.06 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 0.02 0.01 0.00 -0.00 0.01 -0.01 0.01 0.00 0.01 -0.02 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.04 0.03 0.06 0.01 -0.00 0.01 -0.05 0.10 -0.03 0.04 -0.11 0.02 0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.05 -0.01 0.03 0.01 0.00 0.00 0.02 -0.02 -0.03 -0.00 -0.01 -0.08 0.04 -0.02 0.08 -0.01 -0.02 -0.01 0.01 -0.04 -0.03 -0.01 -0.01 -0.01 0.01 -0.03 -0.02 0.02 0.01 0.01 -0.19 -0.11 -0.30 -0.26 -0.13 -0.26 0.27 -0.16 0.26 -0.22 -0.21 -0.27 0.04 0.40 0.16 -0.15 -0.14 -0.30 0.01 0.01 0.01 -0.02 -0.01 -0.00 0.00 -0.04 0.00 0.01 0.00 0.01 0.01 0.03 0.01 -0.00 0.01 -0.01 0.00 0.00 0.02 0.00 0.01 -0.01 0.00 -0.00 0.01 0.00 0.02 -0.00 0.01 0.00 0.02 -0.01 -0.01 -0.02 -0.00 -0.00 0.00 -0.03 0.06 0.06 0.02 -0.00 0.02 -0.01 -0.00 0.03 -0.06 0.10 -0.02 0.07 -0.09 0.01 -0.02 -0.02 -0.02 -0.00 -0.00 -0.01 -0.00 -0.01 -0.01 0.00 0.00 -0.02 -0.00 -0.02 0.01 0.01 0.02 0.00 -0.01 -0.00 0.02 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.02 -0.00 -0.00 0.01 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.05 -0.04 0.00 0.03 0.09 -0.02 0.07 -0.11 -0.38 -0.02 -0.14 -0.39 0.17 -0.16 0.47 -0.14 0.22 0.09 0.09 -0.17 -0.29 0.01 -0.15 -0.25 0.00 -0.01 -0.03 -0.04 -0.02 -0.03 0.06 0.01 0.06 0.03 0.03 0.01 -0.03 0.03 -0.06 0.02 0.06 0.05 -0.01 -0.01 0.01 0.00 -0.01 0.02 -0.04 -0.03 -0.04 0.05 0.03 0.00 0.01 0.03 -0.03 0.00 0.05 -0.02 -0.00 -0.07 -0.02 0.01 -0.00 -0.00 0.01 0.00 -0.01 -0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.04 0.03 0.10 -0.01 -0.03 -0.08 -0.01 0.00 0.02 0.00 0.04 0.00 0.02 -0.04 0.02 -0.08 0.09 0.05 0.05 0.02 -0.01 -0.03 -0.03 -0.05 0.00 0.01 0.01 -0.05 -0.04 -0.03 -0.00 0.01 -0.00 0.11 -0.02 -0.09 0.00 0.01 0.01 -0.00 -0.01 -0.00 -0.05 0.01 0.10 0.00 0.00 -0.03 -0.02 -0.00 0.04 0.03 0.01 -0.10 -0.05 -0.00 0.04 0.01 -0.01 -0.03 -0.01 0.00 0.00 0.00 -0.00 0.01 0.09 -0.09 0.04 -0.09 -0.35 0.25 -0.12 0.03 -0.15 0.01 -0.06 0.27 -0.11 -0.03 -0.05 0.18 -0.17 -0.11 -0.04 0.16 0.18 0.12 -0.07 0.02 0.00 0.04 0.01 -0.02 -0.14 -0.12 -0.00 -0.02 -0.02 -0.02 -0.01 -0.02 0.05 -0.02 0.04 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.24 -0.07 -0.19 0.20 0.20 -0.01 0.07 -0.12 -0.12 0.07 0.29 0.00 0.08 -0.18 -0.06 0.06 0.02 -0.05 0.06 0.02 0.00 -0.03 -0.01 0.05 -0.01 -0.01 -0.00 -0.01 0.01 0.04 -0.01 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.01 -0.03 -0.01 0.03 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.02 -0.00 -0.01 0.08 0.02 -0.06 -0.07 -0.02 0.05 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.03 0.02 -0.01 -0.00 0.04 -0.02 0.01 -0.01 -0.00 -0.00 0.00 -0.03 0.01 0.00 0.01 -0.02 0.04 0.02 0.01 -0.01 -0.03 -0.01 -0.01 -0.02 0.31 0.08 -0.25 0.01 -0.01 -0.01 -0.37 0.09 -0.23 0.20 -0.13 0.38 -0.15 -0.03 0.16 0.03 -0.29 -0.24 0.13 0.01 -0.13 0.15 0.36 0.14 -0.02 0.00 -0.02 0.01 0.01 -0.00 0.00 -0.02 -0.01 0.01 0.02 0.01 0.01 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.05 0.00 0.00 0.00 0.01 0.03 -0.00 0.00 0.00 0.06 -0.08 0.01 0.00 -0.03 -0.07 -0.02 -0.01 -0.08 0.04 -0.00 -0.04 -0.03 -0.01 0.13 0.04 0.04 0.07 0.00 0.00 0.02 -0.00 0.04 0.01 0.06 -0.02 -0.02 -0.01 0.03 0.01 -0.01 -0.03 -0.04 -0.01 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.01 0.01 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 -0.24 0.13 -0.14 -0.05 0.06 -0.10 -0.09 0.02 -0.13 0.01 -0.04 0.19 -0.11 -0.01 -0.13 -0.17 0.54 0.23 0.01 0.15 -0.17 0.10 -0.22 -0.34 0.03 0.05 0.08 0.07 -0.03 -0.02 -0.01 -0.04 -0.06 -0.09 -0.03 -0.10 0.12 -0.05 0.10 0.02 0.02 0.04 -0.04 -0.15 -0.06 -0.00 -0.06 0.01 -0.07 0.01 -0.05 0.03 0.07 -0.01 0.00 -0.09 0.00 0.03 0.02 0.03 0.03 0.04 0.01 0.00 0.01 -0.01 -0.00 0.00 0.01 -0.01 0.01 0.02 -0.01 -0.01 -0.02 -0.01 0.01 0.02 -0.11 0.01 0.04 0.01 0.00 0.01 -0.01 0.00 0.01 -0.00 -0.03 0.01 -0.01 0.07 -0.04 0.07 -0.03 0.02 -0.07 -0.07 -0.01 0.06 0.04 0.02 -0.01 -0.01 -0.02 -0.03 0.02 0.01 0.01 -0.01 0.00 0.14 -0.02 -0.06 -0.01 -0.02 -0.01 0.02 0.00 0.01 -0.03 -0.02 0.06 0.01 0.01 -0.01 0.00 0.01 0.03 0.02 0.00 -0.07 -0.04 -0.01 -0.01 -0.00 -0.01 -0.01 -0.01 -0.00 -0.00 0.01 0.00 -0.00 0.12 0.02 -0.01 0.07 0.10 -0.04 0.18 -0.01 0.43 -0.01 0.18 -0.32 0.12 0.13 -0.15 -0.17 -0.00 0.06 0.06 -0.28 -0.17 -0.20 0.19 0.12 -0.04 -0.07 0.00 0.14 -0.02 -0.05 0.06 0.02 0.07 0.02 0.04 0.00 -0.07 0.04 -0.10 -0.03 0.03 0.01 -0.01 0.07 0.05 -0.03 -0.05 -0.04 -0.19 0.00 -0.13 0.13 0.08 -0.00 0.03 -0.21 -0.04 0.07 0.12 0.06 0.09 0.03 0.01 0.03 0.02 -0.03 0.00 0.01 0.02 -0.04 0.05 0.06 -0.02 -0.04 -0.05 -0.02 0.03 0.05 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.03 -0.02 -0.01 0.00 0.02 0.01 0.01 0.05 0.01 0.04 0.01 0.01 0.02 -0.02 -0.01 -0.01 -0.03 -0.00 -0.00 -0.06 -0.01 0.01 0.02 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.00 -0.03 0.00 -0.01 0.02 -0.01 -0.01 0.01 0.02 -0.01 -0.01 -0.00 0.02 0.02 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.01 0.05 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.04 -0.02 -0.01 -0.02 -0.02 -0.01 -0.02 0.04 0.03 -0.03 -0.11 -0.02 -0.04 -0.02 0.00 0.09 0.05 -0.08 -0.13 -0.02 0.08 -0.11 0.71 0.20 0.01 -0.39 -0.15 -0.06 0.41 0.14 0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.00 0.01 0.00 -0.01 -0.01 0.01 0.00 0.00 -0.00 0.01 0.01 0.00 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.03 0.16 -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.12 0.09 -0.06 0.03 0.07 -0.06 0.01 -0.02 -0.02 -0.01 -0.10 0.04 -0.03 -0.10 0.03 -0.00 0.01 0.04 0.01 0.01 -0.04 -0.01 0.01 0.01 -0.01 0.02 -0.00 -0.02 0.01 -0.02 0.00 -0.06 0.00 -0.02 0.04 -0.01 -0.02 0.03 0.04 -0.02 -0.02 -0.01 0.05 0.04 0.03 -0.02 -0.00 -0.01 -0.00 0.00 0.16 0.34 0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.04 -0.26 -0.06 0.33 -0.18 0.08 -0.10 -0.08 0.19 -0.06 -0.43 0.05 -0.07 0.33 0.11 0.00 -0.00 0.01 -0.01 0.01 0.05 0.13 -0.01 -0.19 0.10 -0.01 0.21 0.07 0.02 -0.19 -0.01 0.01 0.02 -0.01 -0.00 -0.00 -0.01 -0.04 -0.01 -0.00 0.01 0.00 -0.01 0.00 0.02 0.01 -0.00 -0.00 0.01 0.01 0.00 -0.01 -0.01 -0.01 -0.00 -0.00 -0.01 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.04 -0.04 0.00 -0.01 -0.00 0.01 0.00 0.01 -0.12 -0.01 -0.03 -0.02 -0.01 0.07 0.09 0.08 0.03 0.15 0.06 0.05 0.03 0.00 -0.07 -0.04 -0.10 -0.02 -0.07 0.08 0.01 0.07 -0.01 -0.03 0.00 0.01 0.02 0.03 -0.02 -0.01 -0.02 -0.00 -0.06 0.00 -0.02 0.02 -0.01 -0.02 0.03 0.05 -0.03 -0.03 -0.02 0.06 0.05 0.04 -0.03 -0.00 -0.02 0.00 -0.01 0.08 0.13 0.02 0.01 0.01 0.01 0.01 0.01 0.01 -0.02 0.01 -0.02 -0.01 -0.01 -0.01 0.01 0.04 0.02 -0.01 0.00 -0.01 -0.18 0.05 -0.07 -0.06 -0.00 -0.04 -0.07 -0.04 0.15 -0.02 -0.28 0.06 -0.02 0.28 0.10 -0.06 0.11 -0.22 -0.06 0.03 0.20 -0.14 -0.46 0.17 -0.16 0.15 -0.29 -0.08 -0.17 0.24 0.05 -0.01 -0.02 0.00 -0.01 -0.02 0.00 -0.04 -0.01 0.01 -0.01 -0.01 0.02 -0.05 -0.05 -0.05 0.05 0.03 -0.03 -0.03 0.01 0.05 0.03 0.01 0.03 -0.01 0.06 -0.01 -0.01 -0.01 0.00 0.02 0.02 -0.01 0.07 0.06 -0.00 0.05 0.01 -0.03 0.01 -0.05 -0.03 -0.07 -0.03 0.02 0.10 -0.06 -0.03 0.12 0.02 0.02 0.00 0.03 0.00 -0.09 0.06 0.01 -0.09 -0.02 0.02 0.08 0.02 -0.02 -0.02 -0.00 -0.13 -0.07 -0.10 -0.16 -0.06 0.13 0.08 -0.01 0.17 -0.00 0.06 -0.14 0.06 0.05 -0.04 -0.12 0.00 0.04 0.05 -0.22 -0.13 -0.15 0.14 0.08 0.07 -0.05 0.03 -0.01 0.09 0.06 -0.05 -0.05 -0.10 -0.10 -0.05 -0.09 0.13 -0.06 0.13 0.09 0.06 0.09 -0.04 -0.25 -0.11 0.04 0.00 0.10 0.00 -0.06 0.02 -0.10 -0.05 -0.03 0.05 0.06 -0.12 -0.05 0.04 -0.11 -0.06 -0.37 -0.10 0.04 0.11 -0.20 -0.14 0.02 0.24 0.08 -0.20 -0.13 0.04 0.00 0.09 0.03 0.01 -0.09 0.08 0.01 0.03 -0.01 -0.02 -0.05 -0.00 0.02 0.00 0.00 -0.00 -0.00 0.03 -0.05 -0.05 -0.05 0.06 0.05 -0.03 -0.03 0.01 0.06 0.04 -0.00 0.03 -0.02 0.06 -0.02 -0.02 -0.02 0.00 0.02 0.02 -0.05 -0.03 -0.04 -0.00 0.06 0.01 -0.04 0.01 -0.06 0.00 0.05 0.01 -0.04 -0.08 0.07 0.03 -0.08 -0.02 0.00 0.01 -0.00 0.02 0.07 -0.06 -0.01 0.05 0.01 -0.02 -0.05 -0.01 0.02 0.01 -0.00 -0.17 -0.08 -0.11 -0.14 -0.08 0.14 0.08 -0.01 0.17 -0.01 0.06 -0.16 0.07 0.05 -0.02 -0.11 -0.04 0.03 0.06 -0.24 -0.12 -0.17 0.17 0.11 0.07 -0.06 0.03 -0.03 -0.01 -0.03 -0.07 -0.06 -0.13 -0.12 -0.06 -0.11 0.16 -0.08 0.16 0.10 0.07 0.11 -0.05 -0.29 -0.13 0.05 0.01 0.12 0.02 0.02 0.00 0.07 0.00 0.03 -0.07 0.02 0.15 0.02 -0.15 0.08 0.00 0.36 0.11 -0.04 -0.07 0.13 0.11 -0.01 -0.15 -0.07 0.11 0.10 -0.04 0.01 -0.09 -0.03 -0.02 0.09 -0.00 -0.02 -0.04 0.01 0.01 0.02 -0.00 0.01 0.00 -0.01 -0.00 -0.00 -0.03 -0.01 -0.01 0.02 -0.02 0.00 0.01 0.02 0.00 -0.01 0.00 -0.01 0.02 -0.01 0.01 -0.00 0.00 0.01 0.01 0.00 0.01 -0.03 0.12 0.05 -0.00 0.02 0.00 -0.02 0.01 -0.02 -0.00 -0.07 0.01 0.05 -0.01 -0.05 0.03 -0.03 0.00 -0.02 -0.00 -0.02 -0.08 0.00 0.01 0.02 0.02 0.02 -0.09 -0.02 -0.00 0.07 0.01 -0.01 0.13 -0.08 0.04 0.03 0.14 -0.07 -0.03 -0.00 -0.09 0.00 -0.04 0.04 -0.01 -0.03 0.06 0.03 -0.05 -0.03 -0.01 0.03 0.04 0.01 0.01 0.02 0.01 -0.07 0.01 0.07 0.29 0.10 -0.02 -0.02 -0.05 -0.05 -0.02 -0.04 0.06 -0.03 0.06 0.05 0.02 0.04 -0.01 -0.12 -0.06 0.03 0.02 0.06 0.06 -0.15 0.03 0.14 -0.20 0.06 0.06 -0.26 -0.12 0.11 0.30 0.07 0.16 -0.03 -0.02 0.14 0.01 0.03 0.21 0.03 -0.07 -0.21 -0.06 0.27 -0.15 0.06 -0.29 -0.10 -0.08 0.30 -0.05 0.01 0.02 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.02 -0.00 0.00 -0.07 -0.00 -0.02 0.08 -0.05 0.03 0.01 0.04 0.00 -0.02 0.01 -0.04 0.03 -0.05 0.02 -0.01 0.01 0.01 0.02 0.00 0.02 0.04 -0.05 -0.02 -0.01 0.06 0.01 -0.05 0.03 -0.05 -0.00 0.02 -0.00 -0.01 0.00 0.01 -0.01 0.01 0.01 0.01 0.00 -0.00 0.02 -0.00 0.00 -0.01 -0.01 -0.01 0.03 0.01 0.00 -0.02 -0.00 0.00 0.38 -0.21 0.10 0.14 0.38 -0.19 -0.05 -0.01 -0.19 0.00 -0.08 0.06 -0.02 -0.07 0.13 0.09 -0.15 -0.08 -0.04 0.07 0.13 0.03 0.02 0.07 0.03 -0.20 0.02 0.01 -0.11 -0.04 -0.07 -0.06 -0.13 -0.12 -0.06 -0.11 0.15 -0.07 0.14 0.13 0.07 0.12 -0.04 -0.31 -0.15 0.07 0.04 0.16 -0.05 0.07 -0.03 -0.04 0.08 -0.02 -0.01 0.05 0.02 -0.02 -0.05 -0.02 -0.03 -0.01 -0.00 -0.05 -0.00 -0.01 -0.08 -0.01 0.02 0.07 0.02 -0.09 0.05 -0.02 0.09 0.03 0.03 -0.10 0.12 -0.01 0.02 0.02 -0.01 -0.03 0.00 -0.01 0.00 -0.04 -0.00 0.00 0.00 0.07 -0.08 -0.07 -0.05 0.08 0.06 -0.02 -0.02 0.04 -0.01 0.04 -0.02 0.03 0.01 -0.15 0.01 -0.02 0.00 0.00 0.00 -0.03 0.01 0.01 -0.01 -0.04 -0.01 0.02 -0.02 0.02 -0.01 0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.01 -0.00 0.00 0.00 0.00 0.01 0.00 -0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.51 -0.15 0.06 -0.09 0.47 -0.15 -0.13 0.06 -0.02 0.02 -0.01 0.29 -0.15 0.01 -0.20 -0.15 0.14 0.10 0.06 -0.15 -0.17 -0.07 -0.01 -0.10 0.01 0.05 -0.01 0.06 -0.01 -0.01 0.04 0.04 0.08 0.07 0.05 0.06 -0.10 0.05 -0.11 -0.06 -0.03 -0.05 0.01 0.12 0.06 -0.03 -0.03 -0.07 -0.01 0.01 0.00 0.01 -0.02 0.01 -0.01 0.01 0.02 -0.01 -0.04 0.00 -0.01 0.03 0.01 0.01 0.01 -0.01 -0.01 0.00 0.01 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.02 -0.01 0.02 0.00 -0.00 -0.00 0.14 0.04 -0.11 0.00 -0.00 -0.00 -0.09 -0.02 0.07 -0.09 -0.02 0.08 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.02 -0.00 -0.01 0.00 0.01 0.00 -0.00 0.01 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.02 0.00 -0.02 -0.00 -0.00 -0.00 0.36 -0.11 0.20 -0.17 0.16 -0.35 0.18 0.04 -0.18 0.06 -0.37 -0.27 0.20 0.04 -0.19 0.15 0.43 0.12 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 0.02 -0.00 -0.00 -0.01 0.02 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 -0.02 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.09 0.02 0.02 -0.07 0.08 0.04 -0.06 0.06 -0.09 -0.13 -0.07 -0.04 0.07 -0.05 -0.01 0.10 -0.02 0.06 -0.10 0.02 0.01 0.07 0.00 -0.00 0.02 -0.01 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 -0.01 -0.00 -0.14 -0.33 -0.11 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.07 0.05 0.01 -0.08 0.14 -0.02 -0.04 0.16 0.08 -0.11 -0.29 -0.09 -0.17 -0.08 -0.01 0.46 0.11 -0.06 0.27 0.04 0.08 -0.17 -0.13 0.17 -0.12 0.04 -0.24 -0.08 -0.07 0.28 -0.03 0.01 -0.00 -0.02 -0.02 -0.04 -0.00 0.00 -0.00 0.13 0.07 -0.01 -0.03 -0.01 -0.05 -0.06 -0.00 0.07 -0.07 -0.04 0.01 -0.07 -0.05 0.01 0.00 0.04 0.05 0.13 -0.02 -0.01 0.01 0.03 0.01 -0.01 0.01 -0.01 -0.01 -0.02 -0.01 0.01 -0.02 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.01 -0.00 0.01 0.00 0.01 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.26 -0.34 0.02 -0.40 0.32 0.07 0.15 -0.04 0.24 -0.02 0.13 -0.26 0.16 0.10 -0.02 0.15 0.10 -0.02 -0.05 0.28 0.11 0.20 -0.19 -0.12 0.02 0.01 0.03 -0.10 0.04 0.02 0.02 0.03 0.05 0.04 0.04 0.04 -0.07 0.03 -0.06 -0.03 -0.03 -0.03 0.00 0.02 0.01 -0.03 -0.04 -0.05 0.06 -0.06 0.02 -0.03 0.03 -0.01 -0.00 0.02 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.02 -0.01 0.01 0.02 0.00 -0.01 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.08 0.01 -0.01 -0.02 -0.01 -0.03 -0.00 0.00 -0.00 -0.09 -0.10 -0.00 -0.03 -0.07 -0.06 0.04 0.03 0.03 0.06 0.06 0.00 0.06 0.07 -0.02 0.01 0.09 0.07 0.16 -0.01 0.01 -0.01 0.04 -0.00 0.01 -0.00 -0.01 0.00 -0.04 -0.01 0.02 -0.04 0.02 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 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.05 -0.33 -0.08 -0.32 0.12 0.14 -0.13 0.01 -0.31 0.01 -0.16 0.21 -0.12 -0.12 0.13 -0.14 -0.13 0.00 0.04 -0.27 -0.04 -0.22 0.24 0.17 0.02 0.21 0.07 -0.10 0.02 0.01 0.04 0.05 0.09 0.09 0.06 0.08 -0.10 0.05 -0.10 -0.08 -0.06 -0.08 0.02 0.11 0.06 -0.05 -0.05 -0.11 0.03 -0.04 0.01 -0.03 0.03 -0.01 0.00 0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.02 -0.00 0.01 0.01 0.00 -0.01 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.06 0.00 -0.01 -0.02 -0.01 -0.03 -0.00 0.00 -0.01 -0.10 0.06 0.03 0.05 0.14 0.08 -0.06 0.00 0.03 0.07 -0.04 -0.03 0.05 -0.05 0.02 -0.02 -0.09 -0.08 0.18 -0.01 -0.00 0.02 -0.04 0.02 0.01 0.02 -0.03 -0.01 0.03 -0.00 -0.03 0.04 -0.02 -0.01 -0.01 0.00 -0.00 -0.01 0.01 0.01 -0.01 -0.00 0.00 0.00 0.03 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.13 0.22 0.11 -0.33 0.00 0.14 -0.15 0.09 0.06 0.02 0.07 0.28 -0.15 0.03 -0.25 -0.11 0.10 0.07 0.06 -0.12 -0.17 -0.03 -0.07 -0.13 -0.00 -0.38 -0.13 -0.12 0.03 -0.01 -0.04 -0.04 -0.08 -0.07 -0.05 -0.06 0.06 -0.03 0.06 0.07 0.05 0.06 -0.02 -0.13 -0.06 0.04 0.03 0.09 0.17 -0.21 0.06 -0.13 0.15 -0.06 -0.00 -0.01 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -0.05 -0.01 0.01 0.02 0.00 -0.01 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.02 -0.01 0.00 -0.00 -0.01 0.00 0.01 -0.01 0.01 -0.00 0.01 0.02 0.01 -0.01 0.00 0.01 0.01 -0.01 -0.00 0.01 -0.01 0.00 -0.00 -0.01 -0.01 0.05 -0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.06 0.09 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 -0.00 -0.05 -0.02 -0.06 -0.05 -0.01 -0.00 0.04 0.02 -0.06 0.03 0.02 0.02 0.02 -0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.02 0.02 0.02 -0.12 0.01 0.04 -0.02 0.01 0.01 0.00 0.01 0.04 -0.02 0.00 -0.03 -0.02 0.02 0.01 0.01 -0.01 -0.02 -0.00 -0.01 -0.02 0.00 -0.06 -0.02 0.05 0.14 0.17 0.00 -0.00 -0.01 -0.01 -0.01 -0.01 0.01 -0.00 0.01 0.01 0.00 0.01 -0.00 -0.02 -0.01 0.00 0.00 0.01 -0.46 0.56 -0.15 0.32 -0.40 0.15 0.00 0.17 -0.00 -0.05 -0.02 -0.07 -0.07 -0.05 -0.01 0.06 0.01 0.01 0.10 0.01 -0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.02 0.01 -0.00 -0.00 0.00 0.01 0.02 0.00 -0.00 0.00 -0.02 0.05 0.10 0.05 -0.01 0.02 -0.01 -0.00 -0.03 0.01 -0.01 -0.04 0.00 -0.02 -0.04 -0.04 0.04 -0.00 -0.01 -0.01 -0.00 0.11 0.15 0.17 -0.01 -0.00 0.00 -0.04 -0.06 -0.07 -0.03 -0.06 -0.05 0.00 0.01 -0.00 0.02 0.01 0.01 0.01 0.01 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 -0.30 -0.30 -0.10 0.23 -0.01 -0.13 -0.05 0.03 -0.00 0.00 0.04 0.01 -0.05 0.03 -0.13 0.06 -0.11 -0.06 -0.00 -0.03 0.02 0.04 -0.02 0.01 0.05 -0.50 -0.12 -0.04 -0.04 -0.01 -0.04 0.11 0.09 0.08 0.12 0.01 -0.27 0.12 -0.26 -0.00 -0.10 -0.08 -0.03 -0.24 -0.11 -0.05 -0.12 -0.05 -0.01 0.02 -0.01 0.04 -0.04 0.02 -0.00 -0.04 0.00 0.01 -0.00 0.02 0.02 0.01 0.00 0.01 0.00 -0.01 -0.04 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.02 0.00 0.00 0.01 -0.02 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 -0.01 -0.00 0.01 0.00 -0.03 0.00 -0.00 0.01 0.02 0.02 0.06 0.00 -0.01 -0.00 -0.01 -0.01 -0.00 -0.01 -0.00 -0.02 -0.04 0.02 -0.13 -0.06 -0.11 -0.08 -0.05 -0.05 0.08 0.06 0.07 0.06 0.04 0.05 0.04 -0.00 0.03 -0.01 -0.02 -0.00 0.01 0.00 0.01 -0.04 -0.03 -0.02 0.09 -0.01 -0.04 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.01 -0.02 -0.01 -0.00 -0.00 0.01 0.01 0.00 0.01 0.00 -0.02 -0.00 0.51 0.34 0.08 -0.00 0.01 0.01 0.01 0.01 0.00 -0.03 0.01 -0.03 -0.00 -0.01 -0.01 -0.00 -0.02 -0.01 -0.01 -0.01 -0.01 0.11 -0.19 0.05 -0.25 0.33 -0.13 0.01 0.30 -0.01 -0.09 0.02 -0.14 -0.13 -0.06 -0.01 -0.08 -0.02 0.05 0.35 0.05 -0.03 -0.00 0.04 -0.03 -0.01 0.02 -0.02 -0.01 -0.01 0.05 -0.00 0.00 0.01 -0.00 -0.00 -0.01 0.01 0.01 0.00 0.01 -0.02 -0.03 0.00 0.00 0.01 0.00 0.00 0.01 -0.00 0.01 0.01 -0.00 0.01 0.01 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.01 0.01 0.02 -0.01 -0.02 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.04 0.02 -0.01 -0.10 -0.03 0.02 -0.01 0.00 -0.04 -0.03 -0.02 0.01 0.04 0.02 -0.02 -0.00 0.00 0.00 0.06 0.01 -0.00 -0.01 -0.00 0.05 0.09 0.03 -0.07 -0.01 0.04 0.02 -0.01 -0.01 -0.00 -0.02 -0.01 0.01 -0.01 0.05 -0.01 0.02 0.01 -0.00 0.02 0.01 -0.01 0.01 0.01 -0.01 -0.05 -0.02 0.23 0.19 0.05 -0.01 0.01 0.00 0.01 0.01 -0.00 -0.02 0.01 -0.02 0.00 -0.01 -0.01 -0.00 -0.02 -0.01 -0.00 -0.01 -0.00 0.15 -0.14 0.06 0.11 -0.02 0.04 -0.00 0.16 -0.00 0.01 0.08 -0.02 -0.00 0.04 0.01 0.61 0.12 -0.11 -0.58 -0.12 0.06 0.01 -0.08 -0.00 0.01 -0.04 -0.00 0.00 0.02 -0.02 -0.02 0.00 -0.00 -0.00 0.01 0.02 0.00 0.00 0.00 -0.05 0.13 0.15 -0.01 0.01 -0.05 -0.01 -0.01 -0.03 0.02 -0.05 -0.05 0.02 -0.04 -0.04 0.02 -0.01 0.07 0.04 -0.01 0.00 -0.05 -0.07 -0.09 -0.00 -0.01 -0.00 0.01 0.03 0.03 0.02 0.02 0.03 0.00 0.01 0.00 -0.00 -0.03 -0.01 0.01 -0.00 0.00 -0.01 -0.01 -0.01 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.02 0.00 -0.00 -0.00 -0.00 -0.30 -0.51 -0.16 0.31 0.06 -0.19 -0.10 0.06 0.07 0.01 0.13 0.06 -0.07 0.07 -0.27 0.07 -0.13 -0.07 0.02 -0.09 -0.05 0.07 -0.08 -0.07 0.03 0.27 0.08 0.03 0.06 0.02 0.04 -0.05 -0.03 -0.03 -0.05 0.01 0.14 -0.06 0.12 -0.00 0.05 0.05 0.01 0.13 0.06 0.02 0.05 0.02 0.03 -0.02 0.01 0.03 -0.01 0.01 -0.00 0.04 -0.00 0.00 0.02 -0.00 -0.00 0.01 0.00 0.17 0.03 -0.03 -0.16 -0.03 0.02 0.00 -0.02 0.00 0.00 -0.01 -0.00 0.00 0.01 -0.01 -0.01 0.00 0.02 -0.00 -0.00 -0.00 0.03 -0.04 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.11 0.14 -0.04 0.02 0.07 -0.00 -0.04 0.03 -0.01 -0.02 -0.01 -0.01 0.00 -0.02 0.01 0.01 -0.01 0.00 -0.01 -0.02 -0.00 0.01 0.00 0.01 -0.01 -0.01 -0.00 -0.03 0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.37 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 0.40 -0.35 0.19 0.48 -0.37 0.14 0.02 -0.05 -0.03 -0.03 -0.05 -0.02 -0.01 -0.07 -0.02 -0.15 -0.03 0.03 0.24 0.05 -0.00 0.02 0.04 -0.07 -0.00 0.01 -0.00 -0.01 -0.01 0.03 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 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 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.00 -0.01 -0.01 0.01 0.00 -0.01 -0.02 -0.03 0.02 0.02 0.01 0.00 0.00 -0.00 -0.05 -0.01 0.03 0.11 0.01 0.02 -0.09 0.00 -0.06 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 -0.03 -0.11 -0.03 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.03 -0.02 0.03 0.05 -0.05 0.00 -0.00 -0.02 0.01 -0.01 -0.02 -0.00 -0.02 -0.01 -0.01 0.26 0.04 -0.02 0.25 0.03 -0.03 -0.20 -0.18 0.74 -0.01 -0.01 0.02 0.09 0.10 -0.42 -0.01 -0.01 -0.00 0.00 0.00 0.01 -0.02 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.06 0.08 0.04 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.08 -0.01 -0.06 0.01 0.02 0.02 -0.07 -0.13 -0.07 0.12 0.07 0.06 -0.01 0.02 -0.02 -0.07 0.00 0.03 -0.01 0.02 -0.02 0.03 -0.01 0.04 0.01 0.01 0.00 0.02 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.19 -0.49 -0.16 -0.01 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 0.03 -0.00 0.07 0.10 -0.12 -0.02 -0.00 -0.14 0.03 0.00 -0.05 0.05 0.01 -0.03 -0.04 0.55 0.10 -0.07 0.06 -0.02 -0.09 0.16 0.08 -0.39 0.03 -0.02 0.05 -0.03 -0.03 0.16 0.01 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.05 -0.05 0.23 -0.00 -0.02 -0.07 -0.04 -0.01 -0.01 -0.01 0.01 -0.04 -0.01 0.02 -0.06 0.01 -0.00 -0.02 0.01 -0.01 0.00 0.02 -0.01 0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.11 0.69 -0.01 -0.26 0.20 -0.03 -0.05 -0.04 -0.21 0.01 -0.00 -0.22 -0.07 0.07 -0.16 0.07 -0.18 -0.10 -0.04 -0.14 0.16 0.13 0.02 0.14 -0.03 0.22 0.04 -0.01 0.02 0.01 -0.04 0.00 -0.02 -0.03 -0.01 -0.06 -0.05 0.03 -0.03 0.02 -0.00 0.01 -0.00 -0.01 -0.01 0.01 -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 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.08 -0.13 -0.06 -0.00 0.00 -0.00 0.00 0.00 0.00 0.05 -0.00 0.04 0.10 0.09 0.05 -0.04 -0.02 -0.04 0.00 -0.00 0.01 -0.03 -0.00 -0.01 -0.11 -0.01 0.03 0.03 0.01 -0.01 -0.00 -0.01 0.02 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.02 0.59 0.21 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 -0.08 0.04 -0.07 -0.16 0.19 -0.02 0.04 -0.21 -0.03 -0.01 -0.13 0.09 0.10 -0.11 -0.07 0.40 0.10 -0.08 0.36 0.04 -0.12 0.10 0.04 -0.16 0.03 -0.01 0.07 -0.00 -0.01 0.03 -0.01 0.00 -0.02 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.04 0.06 -0.06 -0.03 -0.07 -0.02 -0.02 0.01 0.04 0.01 -0.03 0.02 0.02 -0.02 0.02 -0.01 -0.03 -0.04 0.03 0.00 0.01 0.07 0.00 0.09 0.04 -0.02 0.00 0.01 -0.01 0.00 -0.02 0.01 -0.02 -0.02 0.01 0.00 -0.02 -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 0.14 0.18 0.05 0.37 -0.04 -0.09 -0.03 0.01 0.06 0.00 0.09 0.06 0.03 0.01 -0.01 -0.01 0.04 0.03 0.03 0.02 -0.10 -0.06 -0.00 -0.06 -0.09 0.64 0.10 -0.31 0.17 0.11 -0.16 0.02 -0.07 -0.05 0.03 -0.16 -0.14 0.09 -0.12 0.08 -0.07 -0.04 -0.01 -0.12 -0.05 -0.02 -0.10 0.05 0.06 -0.04 0.06 0.08 0.00 -0.00 -0.01 0.03 0.01 -0.00 0.01 -0.01 -0.02 0.01 0.01 -0.02 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 -0.01 -0.00 0.04 -0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.01 0.03 -0.01 -0.01 0.00 0.01 0.03 -0.00 -0.01 0.01 -0.01 0.01 0.00 -0.01 0.00 -0.01 -0.03 -0.02 0.02 -0.00 -0.00 0.04 -0.01 0.05 -0.10 0.03 -0.02 0.00 -0.00 0.00 -0.01 0.02 -0.01 0.05 -0.02 0.00 0.04 0.03 0.01 -0.01 -0.02 -0.00 0.00 0.01 -0.00 -0.02 0.00 -0.00 0.01 0.01 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.04 -0.07 0.00 -0.16 0.01 0.06 -0.03 0.01 0.00 0.01 0.04 0.01 0.00 0.01 -0.02 0.00 0.01 0.01 0.01 0.02 -0.03 -0.01 -0.02 -0.03 -0.05 0.37 0.05 0.68 -0.32 -0.23 -0.10 -0.00 -0.06 -0.04 0.01 -0.11 -0.07 0.06 -0.08 0.07 -0.04 -0.02 -0.01 -0.07 -0.03 -0.01 -0.07 0.05 -0.15 0.08 -0.14 -0.17 -0.02 0.02 0.02 -0.08 -0.03 -0.01 -0.05 0.04 0.06 -0.05 -0.03 0.03 -0.02 0.03 -0.06 0.01 0.03 -0.01 -0.01 0.02 -0.01 0.00 -0.02 0.01 0.01 -0.03 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 -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 -0.05 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.03 0.07 0.02 -0.10 -0.10 -0.04 0.05 0.04 0.02 -0.01 0.06 0.00 0.14 0.04 -0.03 -0.03 -0.00 0.04 0.00 0.01 -0.03 0.02 0.03 0.00 0.06 -0.00 -0.02 0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.06 -0.01 -0.10 0.17 0.08 0.02 0.00 0.01 0.01 0.00 0.02 0.01 -0.01 0.01 -0.01 0.01 0.00 0.00 0.01 0.01 0.00 0.01 -0.01 0.01 0.02 0.04 0.02 0.06 -0.03 0.08 -0.33 0.01 -0.10 -0.31 0.11 0.05 -0.30 -0.19 -0.08 -0.22 0.24 -0.49 0.03 0.28 -0.09 -0.06 0.17 -0.08 0.02 -0.15 0.04 0.03 -0.11 -0.02 0.00 0.01 -0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.04 0.05 -0.02 -0.03 -0.13 -0.03 -0.05 0.02 0.06 0.01 -0.02 0.00 0.02 -0.01 0.00 0.03 0.04 0.02 0.08 -0.01 0.00 -0.04 0.05 -0.03 -0.04 0.01 -0.00 -0.02 0.00 -0.03 0.01 -0.04 0.00 0.02 0.00 0.00 0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.21 0.46 0.06 0.47 0.01 -0.13 -0.06 0.03 0.05 0.01 0.10 0.02 0.02 0.00 -0.01 -0.00 0.01 0.01 0.03 -0.00 -0.08 -0.06 0.02 -0.02 0.04 -0.29 -0.02 0.28 -0.14 -0.09 0.22 0.03 0.13 0.08 -0.02 0.21 0.09 -0.12 0.13 -0.10 0.07 0.05 0.01 0.08 0.03 0.04 0.12 -0.07 -0.06 -0.01 -0.10 -0.10 -0.06 0.04 0.00 -0.00 -0.01 0.00 0.00 0.01 0.02 0.00 0.00 0.01 0.01 -0.01 0.01 -0.00 -0.01 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.02 0.01 0.02 -0.00 -0.01 0.00 -0.00 0.02 -0.00 -0.00 0.00 -0.02 -0.02 -0.03 -0.02 0.00 0.00 0.06 0.01 0.07 0.01 -0.00 0.00 -0.05 0.01 -0.06 -0.04 -0.10 -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 -0.05 -0.09 -0.01 -0.11 -0.00 0.04 -0.04 -0.01 -0.06 0.01 0.02 -0.05 -0.02 0.03 -0.04 -0.00 0.01 0.00 0.00 0.03 -0.00 -0.01 -0.00 -0.01 -0.04 0.24 0.02 -0.04 0.02 0.01 0.25 -0.04 0.07 0.04 -0.08 0.24 0.07 -0.09 0.07 0.01 0.30 0.43 -0.04 0.39 0.08 0.30 0.39 0.17 0.01 -0.01 0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.03 -0.00 0.00 0.01 0.02 -0.00 -0.00 0.02 -0.01 0.07 -0.02 0.04 0.04 -0.01 -0.01 -0.01 -0.01 0.00 -0.00 0.02 -0.01 0.02 0.01 0.00 0.00 -0.06 0.03 -0.06 0.00 0.05 0.02 -0.00 0.00 0.00 -0.01 -0.01 -0.01 0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.02 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 -0.07 -0.01 0.04 -0.14 -0.04 -0.22 0.06 0.07 -0.25 -0.10 0.11 -0.18 0.12 -0.19 -0.03 -0.01 -0.18 -0.16 0.14 -0.11 -0.18 -0.02 0.10 0.01 -0.05 0.01 0.01 0.37 -0.07 0.10 0.06 -0.13 0.36 0.14 -0.14 0.15 0.07 -0.17 -0.20 0.01 -0.21 -0.06 -0.14 -0.24 -0.02 0.01 -0.03 -0.01 -0.01 -0.02 0.01 0.01 -0.03 0.01 -0.02 -0.08 0.04 0.02 -0.07 -0.05 -0.01 0.01 -0.01 0.02 -0.00 -0.01 0.00 0.00 -0.00 0.01 -0.00 0.01 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 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 -0.02 -0.03 -0.02 -0.01 0.01 -0.01 0.00 0.01 0.00 -0.01 -0.00 -0.00 0.06 0.09 0.04 -0.07 -0.06 -0.03 0.03 0.02 0.02 -0.01 -0.15 -0.02 0.05 0.02 -0.01 -0.01 -0.00 0.02 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.02 -0.01 -0.03 0.01 0.01 -0.04 -0.01 0.02 -0.03 0.01 -0.02 -0.00 -0.00 -0.02 -0.02 0.01 -0.01 -0.02 -0.00 0.02 0.00 0.00 0.07 0.03 0.08 -0.01 0.02 0.01 -0.03 0.07 0.03 -0.03 0.03 0.01 -0.03 -0.04 0.00 -0.04 -0.01 -0.03 -0.05 -0.00 -0.01 0.03 0.02 0.00 0.04 -0.02 -0.10 0.23 -0.03 0.12 0.55 -0.27 -0.19 0.49 0.32 0.07 -0.08 0.09 -0.15 0.02 0.09 -0.01 -0.01 0.01 -0.06 0.01 -0.10 0.04 0.02 -0.08 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.05 0.00 0.02 -0.01 -0.02 -0.00 -0.01 -0.02 0.02 -0.08 0.03 -0.06 -0.05 -0.01 -0.01 -0.01 0.00 -0.00 0.00 0.03 -0.02 0.03 0.00 0.00 0.00 -0.05 0.03 -0.06 -0.00 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 -0.02 0.00 -0.02 -0.00 0.01 -0.02 0.17 0.03 0.22 -0.06 -0.09 0.28 0.11 -0.12 0.20 -0.16 0.26 0.04 0.01 0.25 0.23 -0.18 0.14 0.25 -0.02 0.18 0.02 -0.01 -0.00 0.00 0.33 -0.07 0.08 0.04 -0.14 0.31 0.10 -0.12 0.12 0.08 -0.13 -0.13 0.00 -0.13 -0.04 -0.09 -0.18 0.02 -0.00 -0.03 -0.03 -0.03 -0.03 0.02 0.00 -0.01 0.00 -0.00 -0.01 0.01 0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -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 -0.02 0.03 -0.01 -0.01 -0.02 0.00 0.04 -0.00 -0.01 0.03 -0.03 0.09 0.04 -0.08 -0.04 0.01 0.01 0.01 -0.02 -0.00 -0.00 -0.01 0.00 -0.01 0.00 -0.00 -0.00 0.01 -0.00 0.01 0.01 0.01 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.08 0.01 0.03 -0.27 -0.03 -0.29 0.09 0.17 -0.37 -0.14 0.15 -0.26 -0.18 0.32 0.06 0.03 0.39 0.18 -0.31 0.17 0.23 0.01 -0.07 -0.00 -0.02 0.01 0.01 -0.04 0.02 -0.00 0.00 0.03 -0.04 -0.00 0.01 -0.00 -0.02 -0.02 -0.03 0.01 -0.03 -0.00 -0.02 -0.02 -0.03 0.02 0.03 0.05 0.04 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 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.02 0.00 -0.00 -0.03 0.00 0.02 -0.00 -0.00 -0.00 -0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.03 0.00 -0.01 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.03 -0.07 -0.02 0.01 0.00 0.00 0.01 0.01 0.01 -0.02 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.06 0.01 -0.07 0.03 0.02 -0.01 0.03 0.06 -0.01 0.04 0.07 0.04 -0.03 0.05 0.02 -0.03 -0.01 0.00 -0.02 -0.03 0.01 -0.02 -0.03 0.00 -0.00 0.00 0.11 -0.03 -0.03 0.05 0.02 0.04 0.00 -0.01 0.03 0.00 -0.03 0.05 -0.01 -0.01 -0.01 0.00 -0.02 -0.01 -0.01 -0.01 -0.01 0.13 0.44 0.51 0.46 0.42 -0.27 0.00 0.02 -0.02 0.01 -0.03 0.04 0.06 -0.01 -0.01 -0.02 0.02 -0.02 0.01 -0.01 -0.02 -0.00 -0.00 0.01 0.01 -0.00 0.01 -0.01 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -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 -0.01 -0.02 -0.01 0.01 0.01 0.00 0.00 -0.01 0.00 0.02 0.00 0.03 0.02 0.03 -0.10 -0.02 0.01 -0.04 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 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 -0.01 -0.01 -0.00 0.00 0.01 -0.03 -0.01 -0.02 0.02 -0.04 -0.03 0.02 0.02 -0.08 0.02 0.01 -0.14 -0.06 -0.00 -0.14 -0.07 0.27 0.41 -0.07 0.56 -0.29 -0.14 0.51 0.01 0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.05 0.13 0.01 -0.02 -0.12 0.02 0.16 -0.03 -0.04 0.01 -0.04 -0.05 0.00 -0.02 0.00 0.02 0.01 0.01 -0.09 0.01 0.01 -0.02 0.03 -0.01 0.03 -0.01 0.00 0.00 -0.01 -0.00 0.01 -0.01 0.01 0.00 0.02 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.09 0.24 0.02 -0.56 0.16 0.16 -0.18 0.15 0.20 -0.02 0.31 0.22 0.18 -0.13 0.20 0.07 -0.06 -0.02 0.01 0.02 -0.10 -0.01 -0.05 -0.10 0.01 -0.07 0.01 -0.14 0.06 0.04 -0.00 0.05 0.05 0.02 0.03 -0.01 -0.00 -0.03 0.04 -0.06 0.01 -0.02 0.02 -0.04 -0.02 -0.02 0.03 -0.07 -0.01 -0.13 -0.12 -0.11 -0.10 0.07 -0.00 -0.03 0.02 -0.01 0.02 -0.03 -0.05 0.00 0.00 0.01 -0.02 0.02 -0.00 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 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 -0.02 0.03 0.01 0.01 -0.01 -0.01 -0.00 0.04 0.02 -0.03 -0.04 -0.00 -0.04 0.01 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -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 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.05 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.02 0.02 0.02 0.02 -0.01 -0.20 -0.21 0.52 0.17 0.25 0.04 -0.49 -0.20 -0.11 0.12 -0.24 0.21 0.09 0.20 0.28 0.02 0.01 -0.03 0.03 -0.01 0.04 -0.02 -0.01 0.05 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.02 0.00 -0.02 -0.04 -0.01 0.03 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.00 0.01 -0.00 -0.00 0.01 -0.01 -0.00 0.00 -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 0.06 0.18 0.18 -0.12 -0.15 -0.15 -0.27 -0.06 0.25 0.31 0.05 0.29 0.45 0.14 -0.39 -0.23 -0.04 -0.34 -0.00 -0.01 -0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 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 0.01 -0.01 -0.04 -0.00 -0.01 0.01 0.01 0.01 -0.02 -0.03 -0.05 0.05 0.00 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 -0.01 0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 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 -0.02 -0.02 -0.01 -0.01 0.01 -0.30 0.27 0.37 0.39 0.10 0.45 0.10 -0.21 -0.13 -0.14 0.24 -0.21 -0.08 -0.19 -0.28 -0.02 -0.01 0.04 -0.02 0.00 -0.03 0.02 0.01 -0.04 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.01 -0.03 -0.03 -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 -0.00 0.00 0.00 0.00 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 0.01 -0.00 0.00 -0.00 0.01 0.00 0.01 0.00 -0.00 -0.01 0.00 0.01 -0.00 0.01 0.00 -0.03 -0.01 0.00 0.00 0.00 -0.18 0.34 0.22 0.13 0.35 -0.12 0.17 -0.22 0.23 0.37 -0.20 -0.03 -0.07 0.31 0.12 0.05 -0.30 0.35 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.02 0.01 -0.01 0.00 -0.01 -0.02 -0.00 -0.00 -0.01 0.02 -0.01 -0.01 -0.01 -0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.00 -0.02 0.03 -0.01 0.01 -0.01 0.00 -0.03 -0.03 -0.01 -0.03 -0.00 -0.04 0.01 0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.03 -0.02 -0.00 -0.01 0.01 0.01 0.01 0.02 -0.01 0.01 -0.01 0.01 0.02 -0.01 -0.00 -0.00 0.02 0.01 0.00 -0.02 0.02 -0.00 -0.02 -0.01 -0.01 -0.02 0.01 -0.08 0.43 -0.12 0.17 -0.09 0.30 0.45 0.02 -0.00 0.16 -0.32 0.29 0.11 0.25 0.38 0.01 0.00 -0.01 0.06 -0.01 0.07 -0.04 -0.02 0.07 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.00 0.02 0.02 -0.00 -0.04 -0.03 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.03 0.01 0.01 0.01 0.08 0.19 0.02 -0.23 -0.14 -0.31 -0.14 -0.01 0.54 0.30 -0.07 0.02 -0.01 -0.44 0.03 0.09 0.40 0.00 0.02 0.00 -0.00 0.00 0.00 0.02 0.04 0.04 -0.02 -0.02 -0.03 -0.05 -0.02 0.05 -0.04 0.00 -0.02 -0.03 -0.03 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 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 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 0.01 0.00 0.00 0.00 -0.03 -0.00 -0.00 0.00 -0.00 0.02 0.01 -0.01 0.00 -0.00 0.00 0.02 -0.01 -0.03 0.03 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.03 -0.00 -0.01 -0.00 0.00 0.09 -0.05 -0.02 -0.01 -0.08 0.02 -0.00 0.05 -0.05 -0.08 -0.08 0.01 0.00 0.04 0.05 -0.05 -0.01 -0.09 -0.01 0.07 0.02 -0.00 0.00 0.00 0.07 0.33 0.33 -0.14 -0.10 -0.25 -0.31 -0.15 0.41 -0.36 0.06 -0.17 -0.22 -0.25 0.16 0.11 0.18 0.03 -0.00 -0.01 -0.01 -0.01 -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.02 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.00 -0.00 0.00 0.01 -0.05 -0.01 -0.00 0.00 0.00 -0.00 0.01 0.02 0.00 -0.00 -0.00 -0.04 -0.03 -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 0.00 -0.00 -0.00 -0.00 -0.00 -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 -0.03 -0.00 0.01 0.13 -0.06 -0.00 -0.01 -0.14 0.02 -0.03 0.05 -0.08 0.01 -0.04 -0.01 0.01 0.06 -0.03 -0.06 0.01 -0.04 -0.00 0.14 0.02 -0.00 0.00 0.00 -0.22 0.16 0.04 0.26 0.47 0.07 0.43 -0.17 -0.00 -0.21 0.16 0.07 0.14 -0.23 -0.17 -0.10 0.20 -0.34 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 -0.02 0.00 0.02 0.00 -0.02 0.00 0.00 0.01 -0.02 -0.00 -0.02 0.01 -0.03 -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 -0.01 -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 0.01 -0.08 -0.00 0.07 -0.04 -0.01 -0.31 0.11 -0.04 0.03 0.36 -0.02 0.14 -0.09 0.18 -0.07 0.35 0.04 -0.06 -0.39 0.21 0.42 -0.07 0.31 -0.00 0.06 0.00 0.01 -0.00 -0.00 -0.03 0.08 0.06 0.03 0.07 -0.02 0.03 -0.05 0.06 -0.11 0.05 -0.00 0.00 -0.09 -0.02 -0.01 0.08 -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 -0.01 -0.04 0.02 0.01 0.02 -0.00 -0.01 0.00 -0.00 -0.03 -0.02 0.00 -0.02 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.03 -0.01 0.02 -0.01 -0.01 0.07 -0.19 -0.36 -0.05 0.30 0.30 0.52 0.29 -0.04 0.33 0.05 -0.06 0.03 0.11 -0.31 -0.13 0.09 0.15 -0.00 -0.02 0.00 0.01 -0.00 -0.00 0.00 0.01 0.01 -0.01 -0.00 -0.01 -0.01 -0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.05 0.07 -0.03 -0.01 -0.05 0.01 0.05 -0.01 -0.00 -0.02 0.01 0.03 -0.00 -0.01 -0.03 0.00 0.01 0.00 -0.01 0.00 0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.05 0.01 -0.07 0.03 0.03 0.44 -0.25 -0.11 -0.05 -0.34 0.18 0.04 0.29 -0.33 -0.11 0.28 0.04 -0.03 -0.30 0.17 0.31 -0.08 0.18 -0.00 -0.05 0.00 -0.01 0.01 0.00 0.02 -0.03 -0.02 -0.01 -0.04 0.01 -0.03 0.03 -0.03 0.04 -0.02 -0.00 -0.00 0.04 0.01 0.00 -0.03 0.03 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.12 -0.20 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 0.00 0.03 -0.04 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.03 0.00 -0.26 0.31 -0.09 0.33 -0.29 0.11 -0.22 0.33 -0.05 0.01 -0.06 -0.00 -0.08 0.02 -0.01 0.01 0.03 -0.15 0.01 -0.03 0.14 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.05 0.11 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 -0.02 -0.01 -0.01 -0.05 0.01 -0.01 -0.07 0.27 -0.01 0.06 -0.15 0.14 0.16 -0.11 -0.05 0.14 -0.10 0.10 -0.21 0.03 0.05 -0.10 -0.03 0.03 -0.16 -0.01 -0.07 0.16 0.05 -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 0.02 -0.03 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.07 0.07 -0.02 0.08 -0.07 0.04 -0.04 0.05 -0.01 0.00 -0.01 -0.00 -0.02 0.01 -0.05 -0.02 -0.09 0.40 -0.02 0.07 -0.36 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.02 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 -0.01 -0.00 -0.01 -0.00 -0.00 -0.02 0.06 0.00 0.02 -0.03 0.03 0.03 -0.03 -0.01 0.12 0.08 -0.11 0.08 -0.02 -0.15 0.32 0.08 -0.25 0.40 0.02 0.14 -0.40 -0.10 0.27 0.00 0.00 0.00 0.00 0.01 0.03 0.00 -0.01 0.00 0.01 -0.00 0.01 -0.01 0.08 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.15 -0.46 0.04 -0.00 -0.02 -0.05 -0.21 0.47 -0.09 0.00 -0.00 -0.00 0.04 -0.04 0.03 0.01 -0.05 -0.01 0.00 -0.00 0.00 0.01 -0.01 0.00 -0.01 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.03 -0.04 0.02 -0.05 -0.01 0.03 -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 0.01 0.00 -0.01 0.00 0.00 0.11 0.32 0.20 -0.01 0.00 -0.00 0.18 -0.11 0.02 0.04 -0.14 0.18 -0.17 0.14 -0.16 0.09 -0.16 -0.10 -0.01 0.23 0.07 -0.05 -0.20 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 -0.02 0.01 0.01 0.01 0.07 0.16 0.16 -0.33 0.02 -0.01 -0.00 -0.01 -0.01 -0.01 -0.01 -0.01 0.02 0.03 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.03 -0.00 0.01 -0.11 -0.25 0.02 -0.03 0.01 0.01 0.00 -0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.03 -0.03 0.01 0.22 -0.32 0.08 -0.25 0.19 -0.09 -0.23 0.51 -0.03 -0.01 0.06 0.00 0.04 -0.01 0.01 0.00 -0.01 0.03 -0.00 0.01 -0.03 0.04 0.02 0.01 -0.06 0.03 0.05 0.00 -0.00 -0.00 -0.00 0.02 0.03 0.03 0.00 0.02 0.00 0.00 0.00 0.00 -0.02 -0.02 0.00 0.00 -0.00 -0.01 -0.01 -0.02 -0.15 -0.04 -0.02 -0.02 0.01 -0.00 0.00 0.02 -0.02 0.02 -0.01 0.01 -0.01 0.01 0.01 0.00 -0.02 -0.01 0.00 0.02 -0.00 -0.05 0.05 -0.03 -0.09 0.09 -0.03 0.05 -0.16 0.01 -0.02 0.14 -0.07 -0.07 0.12 0.04 0.00 0.00 0.00 0.14 0.04 0.02 0.03 0.01 -0.01 0.04 0.00 0.02 -0.04 -0.01 0.04 0.01 -0.02 -0.04 -0.04 -0.18 -0.41 0.07 -0.14 0.01 0.02 0.01 0.02 0.02 0.02 0.02 0.01 -0.04 -0.09 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.01 -0.05 0.00 -0.01 0.29 0.67 -0.02 0.05 -0.01 -0.00 0.02 0.02 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.02 -0.02 -0.00 0.08 -0.13 0.02 -0.09 0.07 -0.03 -0.10 0.22 -0.02 -0.00 0.03 0.00 0.01 -0.00 0.00 0.00 -0.01 0.02 -0.00 0.00 -0.02 -0.11 -0.06 -0.03 0.18 -0.07 -0.15 -0.00 -0.00 -0.00 0.01 -0.04 -0.08 -0.09 0.00 -0.05 -0.01 -0.00 -0.01 -0.01 0.05 0.04 -0.01 -0.01 0.00 0.01 0.00 0.02 0.03 -0.05 0.01 0.02 -0.02 0.00 0.00 -0.02 0.02 -0.02 0.02 -0.02 0.01 -0.02 -0.02 -0.00 0.02 0.01 -0.01 -0.03 0.01 -0.02 0.03 -0.00 -0.02 0.01 -0.00 0.02 -0.05 0.00 -0.01 0.05 -0.03 -0.03 0.04 0.02 0.01 -0.00 0.00 0.07 0.02 0.01 0.02 0.01 -0.01 0.02 0.00 0.01 -0.03 -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 0.01 -0.01 0.01 -0.00 0.05 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.09 0.15 -0.16 -0.16 0.08 0.08 -0.02 -0.09 -0.05 -0.23 -0.44 0.38 -0.25 0.09 -0.27 0.50 -0.21 -0.26 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.02 0.03 -0.03 -0.00 0.02 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 -0.02 0.03 -0.00 0.00 -0.01 -0.02 0.01 0.01 -0.00 0.01 0.00 -0.00 0.00 -0.26 -0.43 0.46 0.47 -0.23 -0.22 0.08 0.27 0.14 -0.08 -0.15 0.13 -0.09 0.03 -0.09 0.17 -0.07 -0.09 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.02 0.04 0.02 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.00 0.01 0.06 0.13 -0.05 -0.16 0.00 -0.02 0.03 -0.05 -0.03 -0.10 0.07 -0.46 0.60 -0.02 0.07 -0.23 -0.51 0.17 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.02 -0.02 -0.02 0.01 0.01 -0.00 -0.01 -0.01 0.01 0.01 -0.01 0.01 -0.00 0.01 -0.01 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.03 -0.01 -0.01 -0.00 -0.06 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 0.01 -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 -0.17 -0.04 -0.09 0.21 -0.09 -0.15 0.01 -0.17 0.33 -0.00 0.48 0.47 0.12 -0.47 0.24 -0.04 0.00 -0.02 -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 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.04 -0.01 0.01 -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 0.01 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 0.01 -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 -0.27 -0.06 -0.15 0.37 -0.17 -0.27 0.02 -0.30 0.57 0.00 -0.27 -0.26 -0.07 0.27 -0.14 0.02 -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 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.03 0.03 -0.04 -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 -0.01 0.00 0.01 0.00 0.00 0.00 -0.25 -0.53 0.20 0.68 -0.02 0.08 -0.11 0.22 0.15 -0.02 0.02 -0.11 0.14 -0.00 0.02 -0.05 -0.12 0.04 -0.01 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 -0.01 0.00 -0.01 0.01 0.00 -0.01 -0.01 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 0.00 -0.02 -0.06 -0.02 0.06 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.06 -0.11 0.11 -0.17 0.09 0.07 0.00 -0.01 -0.01 0.23 0.49 -0.39 -0.02 -0.00 -0.00 0.57 -0.26 -0.29 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.09 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.01 0.00 0.00 -0.00 -0.00 0.43 0.45 -0.18 0.66 -0.37 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 -0.07 -0.01 0.05 -0.02 -0.01 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 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 0.22 0.40 -0.42 0.60 -0.32 -0.27 0.00 0.05 0.04 0.06 0.13 -0.11 -0.01 0.00 -0.01 0.16 -0.07 -0.08 0.02 0.02 -0.02 0.00 0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.02 -0.06 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.03 0.03 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 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 0.06 -0.27 0.68 0.00 0.01 -0.01 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.33 -0.20 0.29 -0.03 -0.17 -0.41 -0.03 -0.01 -0.01 0.10 -0.05 -0.07 -0.00 0.04 -0.07 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 -0.04 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.04 -0.04 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 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 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.04 -0.19 0.49 -0.00 -0.01 0.01 -0.02 0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.42 0.26 -0.37 0.02 0.15 0.35 -0.05 -0.01 -0.02 0.26 -0.13 -0.18 -0.01 0.13 -0.23 -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 -0.01 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 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.03 -0.00 0.07 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.03 0.14 -0.36 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 -0.16 -0.09 0.14 -0.01 -0.04 -0.10 -0.08 -0.02 -0.03 0.52 -0.24 -0.36 -0.03 0.27 -0.49 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.06 -0.04 0.01 0.05 0.03 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.22 0.51 -0.19 0.52 -0.03 0.07 -0.01 -0.02 -0.01 0.00 0.01 -0.03 -0.43 0.02 -0.05 -0.16 -0.37 0.13 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 0.01 -0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.05 -0.03 0.01 -0.06 -0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.17 0.39 -0.15 0.41 -0.02 0.06 -0.01 -0.01 -0.00 -0.00 -0.01 0.04 0.56 -0.03 0.06 0.20 0.48 -0.16 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 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.03 0.04 -0.08 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 0.00 -0.06 -0.01 -0.01 -0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.18 -0.12 0.84 0.31 -0.00 0.02 -0.15 -0.33 0.10 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.06 0.04 -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 -0.03 0.00 -0.04 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.11 -0.19 0.15 0.62 -0.19 0.65 0.23 -0.10 -0.14 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.02 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 0.03 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 -0.26 -0.04 0.89 -0.02 -0.03 -0.06 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 0.06 0.02 0.00 0.00 -0.00 -0.01 0.00 -0.02 0.00 -0.02 0.00 0.00 -0.00 -0.03 -0.04 0.05 0.09 -0.04 -0.04 -0.09 -0.29 -0.16 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 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 -0.01 -0.07 -0.03 0.00 0.00 0.00 -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 -0.09 -0.01 0.31 -0.01 -0.01 -0.02 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.00 0.02 -0.04 0.07 0.10 -0.12 -0.18 0.08 0.08 0.20 0.68 0.37 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.17 0.10 -0.14 -0.03 -0.14 -0.31 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 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 -0.03 -0.01 0.00 0.00 0.00 0.02 -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 -0.04 -0.01 0.15 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.04 0.09 0.03 0.05 -0.06 -0.07 0.03 0.03 0.09 0.32 0.17 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.36 -0.23 0.30 0.06 0.30 0.66 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.04 -0.00 -0.02 -0.00 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 0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.01 0.01 0.52 0.01 0.23 -0.48 -0.12 0.33 0.51 0.00 0.25 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.08 -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 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.80 0.20 0.42 0.22 -0.11 -0.17 -0.01 -0.10 0.19 -0.00 0.01 0.01 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 0.01 -0.00 0.00 -0.00 -0.05 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 -0.01 -0.00 0.03 0.00 0.00 0.00 -0.02 -0.04 0.02 0.04 0.00 0.01 0.07 -0.14 -0.10 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.62 -0.07 0.75 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.03 -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 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 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 -0.04 0.02 -0.01 0.04 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.02 0.03 0.01 -0.03 0.02 0.73 0.01 0.33 0.25 0.06 -0.17 -0.45 -0.00 -0.22 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.04 -0.07 -0.04 -0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.08 0.16 -0.07 -0.18 -0.00 -0.03 -0.35 0.70 0.52 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.12 -0.01 0.15 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -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 -0.01 -0.03 -0.03 -0.07 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.00 0.07 0.34 0.39 0.85 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.03 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 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 -0.10 -0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.11 0.00 0.05 0.59 0.15 -0.43 0.58 -0.00 0.30 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 0.99996 0.00894 -2.5E-4 -0.00894 0.99995 0.00422 2.9E-4 -0.00422 0.99999 asymmetric 1 0.02360 0.00689 0.00585 0.49173 0.14365 0.12186 1067092.5 23.49 30.60 45.72 55.92 72.16 95.64 117.41 133.19 150.90 168.80 171.85 176.63 196.87 201.53 231.06 245.88 267.66 297.52 340.06 350.19 400.76 408.54 424.90 446.16 462.41 511.14 526.66 556.04 578.92 604.67 665.36 669.83 719.67 730.24 779.61 794.61 831.16 840.88 871.53 914.68 962.91 982.23 1084.84 1136.86 1151.22 1187.49 1204.62 1209.32 1247.79 1279.94 1288.02 1324.00 1356.17 1373.97 1387.70 1391.46 1405.82 1418.39 1445.62 1454.20 1471.69 1479.55 1493.81 1508.06 1528.22 1533.39 1546.11 1556.35 1573.12 1582.99 1604.27 1641.60 1652.14 1694.26 1716.79 1742.56 1745.86 1779.43 1781.11 1840.65 1895.31 1902.76 1912.16 1925.30 1949.19 1967.79 1979.69 2002.89 2026.38 2028.48 2029.39 2031.02 2044.51 2058.26 2067.43 2074.60 2094.20 2101.65 2105.90 2119.02 2120.22 2124.32 2126.27 2129.63 2131.02 2154.01 2160.91 2411.01 2433.71 2461.08 2469.60 2475.26 4319.10 4329.85 4335.63 4345.57 4347.65 4349.21 4381.49 4386.13 4387.76 4411.43 4414.82 4417.00 4418.50 4422.77 4443.06 4448.47 4474.10 4480.80 4481.04 4490.16 4495.06 4505.25 4507.29 4523.88 4565.07 4614.04 0.406434 0.431090 0.432034 0.349775 -965.240092 -965.215436 -965.214491 -965.296751 270.513 90.787 173.129 0.000 0.000 0.000 0.889 2.981 43.014 0.889 2.981 34.878 268.736 84.825 95.236 1 0.593 1.986 7.037 2 0.593 1.985 6.512 3 0.594 1.983 5.715 4 0.594 1.981 5.316 5 0.595 1.978 4.811 6 0.598 1.970 4.255 7 0.600 1.962 3.852 8 0.602 1.954 3.605 9 0.605 1.945 3.361 10 0.608 1.935 3.144 11 0.609 1.933 3.109 12 0.610 1.930 3.056 13 0.614 1.917 2.848 14 0.615 1.913 2.803 15 0.622 1.891 2.543 16 0.626 1.878 2.426 17 0.632 1.859 2.267 18 0.641 1.830 2.072 19 0.655 1.785 1.830 20 0.659 1.774 1.778 21 0.679 1.713 1.543 22 0.682 1.703 1.510 23 0.690 1.682 1.443 24 0.699 1.654 1.362 25 0.707 1.633 1.303 26 0.731 1.564 1.143 27 0.739 1.542 1.096 28 0.755 1.499 1.014 29 0.768 1.465 0.954 30 0.783 1.426 0.891 31 0.820 1.333 0.759 32 0.823 1.326 0.750 33 0.856 1.250 0.658 34 0.863 1.233 0.640 35 0.897 1.158 0.561 36 0.908 1.135 0.539 37 0.934 1.080 0.490 38 0.941 1.065 0.477 39 0.964 1.020 0.440 0.115156e+27 26.061286 60.008329 0.596203e+11 10.775394 24.811262 0.100000e+01 0.000000 0.000000 0.206476e+09 8.314870 19.145696 0.935453e+07 6.971022 16.051371 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 2.0398 -5.4707 -2.3968 6.3114 -132.5615 -138.6545 -133.2989 16.3504 -2.0926 0.7766 2.2768 -3.8162 1.5394 16.3504 -2.0926 0.7766 14.8835 -36.2666 -7.3160 62.4506 -83.5842 -22.9142 -13.7588 -2.2104 0.0926 0.8142 -9103.9538 -2565.7250 -745.0294 168.4253 164.0909 142.1789 -4.3929 -22.3297 5.5193 -2134.1627 -1605.9018 -528.7823 7.7006 -0.3512 5.9603 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -965.6465257 4.879E-9 4.904E-6 0.4064341 0.43109 -965.2154357 -965.2144915 -965.2967506 -0.0366294,-0.8502625,0.886892,-10.578018,6.5684166,0.9186674 C01 [X(C19H26O3)] 0.8984544 2.3148086 0.0157249 -2.7364441 0.0713385 0.1841416 0.1497674 -0.5915343 -0.1766269 0.068146 -0.2003871 -0.5002561 -1.029599 -0.0357816 0.0005406 0.0915735 -0.9781092 -0.6012214 0.1269862 -0.4649813 -1.035723 -1.1146253 -0.5557008 0.3413514 -0.6158375 -1.7148517 0.6063797 0.3961537 0.5534653 -0.803935 0.6239871 0.1127498 0.0837153 -0.2489223 0.2089801 -0.0573661 0.1231029 -0.0418691 0.2024891 0.4865803 -0.0057015 0.1700565 0.0333254 0.119159 -0.0769023 -0.1973214 -0.0619969 0.0454703 -1.3273993 -0.1357157 -0.377362 -0.174676 -0.1439517 -0.0295143 -0.2604265 0.0133612 -0.1489244 0.0326602 -0.0608549 0.0144915 -0.0874931 -0.0538585 -0.0518996 -0.0180233 -0.0758799 0.0451006 0.0557298 -0.0489975 -0.0050693 0.0381832 0.1030517 -0.0581757 0.0527126 -0.0267246 0.0576667 -0.2234935 -0.2422089 -0.0688841 -0.0881192 -0.0102715 0.0283662 -0.1592881 0.1835916 -0.215095 3.0158502 -0.1222613 0.0250064 -0.0991397 1.0110026 0.920072 -0.0910677 0.7011044 1.1659226 0.079212 0.0991481 -0.3331579 0.0337301 0.392687 -0.0472996 -0.2905949 -0.1160427 0.1412442 1.2697968 0.2920941 -0.001936 0.3445929 0.3394409 0.0348707 0.4539936 0.0414628 0.390798 0.0375827 0.037154 0.1364983 0.0324534 -0.0605322 0.015537 0.1419962 -0.0143756 0.0106868 0.1170599 -0.0241377 0.0838262 0.0500766 -0.0880918 -0.0295129 0.0546215 0.0287842 0.0995918 -0.5764239 0.0455698 0.1181511 0.1088897 -0.0861574 0.046682 0.0702973 0.1394864 0.0006979 0.1814432 0.3098952 -0.2470898 0.2073098 0.7317729 -0.3396829 -0.2639031 -0.4612398 0.1512668 0.1110826 -0.0409852 -0.0305679 -0.3344941 -1.1524583 0.4451465 0.0244806 0.3436522 -0.3055297 1.2112864 0.1979162 -0.3428189 0.6089879 2.3604693 -0.8971067 -0.5017006 -0.6947086 0.6466409 -0.0259465 -0.1084241 0.0600849 -0.0273855 -0.2623317 0.1063472 0.0923621 0.1786508 -0.0090889 0.0174358 0.0166387 -0.0166975 0.0515179 0.167929 -0.0682797 -0.1681942 -0.0333105 -0.0014827 0.1939694 -0.0283362 0.1824892 -0.0196657 -0.2310662 0.1095853 0.2386664 0.1321722 0.3739617 0.0084604 -0.0696009 0.0233671 -0.0846579 -0.3890296 0.0183815 -0.0782478 0.035106 -0.3048553 -0.0022312 0.0153046 -0.0800905 -0.0013925 -0.0931407 0.0078228 -0.0546014 -0.0327888 -0.0895246 -0.0117765 0.0502945 0.0132659 0.0321259 -0.0127328 -0.0636519 0.0332028 -0.0644286 0.0330477 0.0615565 0.0771367 -0.0612212 0.0619003 -0.0407586 0.149024 0.0051475 0.125515 -0.1010808 -0.2286509 0.0060114 0.0717367 0.024152 0.113362 -0.0111111 0.0404391 0.0167464 0.0312785 0.1151071 -0.0589089 -0.026487 -0.0497051 -0.0698055 -0.066323 -0.0088691 -0.0573616 0.0602681 0.0679151 0.0140658 0.089115 -0.0170783 0.0282233 -0.0458669 0.0536784 -0.0980552 -0.14602 -0.2417742 -0.062137 0.0158046 -0.0140871 0.0157927 -0.0018518 0.0067074 -0.0141176 0.0994242 0.0489034 0.0617936 -0.0747557 -0.0167555 -0.1244811 0.1161307 -0.054502 0.1545942 -0.0370543 0.0235972 0.0524423 0.1400935 0.0789693 -0.0240728 -0.0084605 0.1772175 -0.0498857 0.0364763 -0.0862208 -0.0735302 0.0816273 -0.0682408 0.0614081 0.0227373 -0.0637028 0.0203803 -0.0642359 0.033775 0.01798 -0.0625367 0.0441631 0.0886142 0.0719034 -0.0067554 0.1203982 -0.1667951 -0.1179825 -0.1325721 0.0337355 -0.1198708 0.0312345 -0.0499367 -0.0457535 -0.0343899 0.048389 0.0526805 0.0498268 0.0357136 0.0899164 -0.1319511 -0.0476865 0.0292771 -0.0151127 0.0868333 0.0866583 0.0895657 -0.0702931 0.0250808 -0.0666444 0.0942983 -0.0665572 0.1232667 -0.118896 -0.0513155 0.0699888 0.1316085 0.0069587 0.0300547 0.0017848 0.1446249 -0.0656577 -0.0322428 -0.0975299 -0.1238289 -0.0579422 -0.0718403 -0.0708101 0.0076669 -0.0577436 -0.0813301 0.0933533 0.0626717 0.0220399 -0.0495159 -0.014252 0.0835837 0.0058893 -0.050118 0.0249562 0.0229634 0.0897934 0.0024826 0.0117542 -0.0331186 -0.0165593 -0.0438525 0.0496357 -0.093636 0.0459887 -0.0663759 0.1174986 0.0426207 0.0659549 0.0076954 0.0148653 0.05887 -0.0139655 0.0863442 0.0112602 -0.0458486 -0.0821283 -0.1023133 -0.0139797 0.0172127 -0.0789969 -0.0526074 0.091365 0.1375558 0.060007 0.0130698 -0.0239533 0.0158464 0.0057532 0.0444543 0.036155 -0.0985526 -0.0114897 -0.011818 -0.0941364 0.0330914 -0.0838987 -0.1060881 0.0181477 -0.0575438 0.0457666 -0.0065955 -0.0370309 -0.0306273 -0.0329913 0.0748035 0.1275019 0.0649722 0.0502406 -0.0456264 -0.1793787 0.0637835 0.0572887 0.065364 0.1679854 -0.0356289 -0.0167556 -0.0379372 0.0414918 -0.0399402 0.0122634 -0.1246865 0.0162394 0.1895538 -0.0273644 -0.0909557 -0.0331099 -0.0018625 -0.0584177 0.0593912 0.0768503 0.0516656 0.1684289 -0.0325483 0.0541852 -0.0296459 0.0722536 337.7751727|21.3296321|327.3021682|-22.5534532|-27.3366713|287.0755237 0.000009723 0.000011392 0.000001659 -0.000012893 -0.000004203 -0.000003702 -0.000003512 -0.000005714 0.000011981 0.000011987 0.000001159 -0.000003189 -0.000004288 -0.000007625 0.000003537 0.000000653 0.000007621 0.000003993 0.000000557 -0.000002432 -0.000004474 0.000000745 0.000000177 0.000004465 0.000008306 -0.000002652 0.000001118 0.000005397 0.000002016 0.000009530 0.000005392 0.000007296 -0.000003593 -0.000011224 -0.000013256 -0.000009292 -0.000004001 -0.000000703 -0.000000149 -0.000001034 -0.000005923 -0.000005484 0.000002524 -0.000004518 0.000010040 -0.000005839 0.000001665 0.000006063 0.000007574 0.000001999 0.000002370 -0.000002790 0.000004896 -0.000030331 -0.000002872 -0.000001080 -0.000002835 -0.000002779 0.000003184 0.000002642 0.000002670 0.000003029 0.000001407 -0.000000105 0.000000208 0.000003089 -0.000003977 -0.000002864 0.000000852 -0.000002250 -0.000000836 -0.000001077 -0.000001346 0.000000760 0.000000491 -0.000001913 0.000002825 0.000000620 0.000000043 0.000003634 -0.000000433 -0.000000366 -0.000002651 0.000000556 -0.000000531 -0.000001571 0.000000739 0.000000294 -0.000001146 0.000001580 -0.000005612 -0.000002024 -0.000003493 0.000001882 0.000005611 0.000002286 0.000001903 -0.000001324 -0.000002996 0.000001127 -0.000002489 -0.000002442 0.000000722 -0.000000548 -0.000004183 -0.000000543 -0.000001213 -0.000003570 -0.000000925 -0.000000010 -0.000002758 -0.000000035 0.000000092 -0.000002958 0.000000263 -0.000001231 -0.000000035 -0.000004671 0.000002659 -0.000000342 -0.000001696 -0.000000631 0.000003395 0.000001024 -0.000000565 0.000003839 0.000001894 0.000001532 0.000002371 0.000001552 -0.000000387 -0.000001846 0.000002675 -0.000003811 0.000001249 0.000001874 0.000002897 0.000003620 0.000000152 0.000002475 0.000002154 0.000004266 0.000004280 0.000003534 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:.0271,.8263,-.2291;1.4053,-.5082,-1.4134;-3.4203,-2.0725,.8426;3.7157,1.3833,-.4602;3.5447,.4025,.6587;2.3052,1.1492,.0938;4.0868,.9033,-1.8498;4.3116,2.7381,-.1186;3.7418,-1.0649,.4888;1.2586,.3959,-.6137;3.1086,-2.0149,1.1901;-1.1141,.1366,-.8048;2.0474,-1.7192,2.2161;3.4049,-3.4766,.9848;-1.3696,-1.2359,-.178;-2.3437,.9571,-.4894;-3.2874,.2238,.1374;-2.7931,-1.1479,.3416;-2.418,2.3798,-.9137;-4.6651,.6424,.5486;-5.7083,.5672,-.5423;-5.5016,.2518,-1.8192;3.8045,.781,1.6444;1.9114,1.9332,.728;3.7399,1.6198,-2.6012;5.1767,.8353,-1.932;3.6627,-.0687,-2.092;4.0344,3.063,.8879;5.4047,2.6915,-.169;3.9739,3.5004,-.8284;4.4771,-1.3714,-.2511;-.9633,.0762,-1.8854;2.3679,-2.0593,3.2086;1.1299,-2.2715,1.9817;1.7995,-.6592,2.2828;3.7255,-3.9447,1.9236;4.1851,-3.6376,.237;2.503,-4.0108,.6619;-.6882,-1.4234,.6558;-1.2687,-2.062,-.8836;-3.3599,2.8496,-.6295;-1.5891,2.9485,-.4795;-2.308,2.4477,-2.0024;-4.6476,1.6661,.9408;-4.9928,.0093,1.3811;-6.7178,.8057,-.2121;-6.3226,.2284,-2.5285;-4.5165,.0036,-2.2024; Gaussian 16 8-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:.0271,.8263,-.2291;1.4053,-.5082,-1.4134;-3.4203,-2.0725,.8426;3.7157,1.3833,-.4602;3.5447,.4025,.6587;2.3052,1.1492,.0938;4.0868,.9033,-1.8498;4.3116,2.7381,-.1186;3.7418,-1.0649,.4888;1.2586,.3959,-.6137;3.1086,-2.0149,1.1901;-1.1141,.1366,-.8048;2.0474,-1.7192,2.2161;3.4049,-3.4766,.9848;-1.3696,-1.2359,-.178;-2.3437,.9571,-.4894;-3.2874,.2238,.1374;-2.7931,-1.1479,.3416;-2.418,2.3798,-.9137;-4.6651,.6424,.5486;-5.7083,.5672,-.5423;-5.5016,.2518,-1.8192;3.8045,.781,1.6444;1.9114,1.9332,.728;3.7399,1.6198,-2.6012;5.1767,.8353,-1.932;3.6627,-.0687,-2.092;4.0344,3.063,.8879;5.4047,2.6915,-.169;3.9739,3.5004,-.8284;4.4771,-1.3714,-.2511;-.9633,.0762,-1.8854;2.3679,-2.0593,3.2086;1.1299,-2.2715,1.9817;1.7995,-.6592,2.2828;3.7255,-3.9447,1.9236;4.1851,-3.6376,.237;2.503,-4.0108,.6619;-.6882,-1.4234,.6558;-1.2687,-2.062,-.8836;-3.3599,2.8496,-.6295;-1.5891,2.9485,-.4795;-2.308,2.4477,-2.0024;-4.6476,1.6661,.9408;-4.9928,.0093,1.3811;-6.7178,.8057,-.2121;-6.3226,.2284,-2.5285;-4.5165,.0036,-2.2024; 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 CONF156 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 1825.9903626513 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 -0.0513575692 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 2.254529 0.000000 4.629977 5.551847 0.000000 3.737543 3.134395 8.035076 0.000000 3.652588 3.114541 7.393986 1.497716 0.000000 2.323420 2.414213 6.612258 1.533320 1.553404 0.000000 4.371918 3.061591 8.512420 1.516304 2.614847 2.648002 0.000000 4.693028 4.545582 9.156939 1.519026 2.578283 2.568185 2.532653 0.000000 4.229786 3.063928 7.241258 2.625859 1.490341 2.668735 3.076056 3.893202 0.000000 1.360126 1.215876 5.486965 2.652460 2.616342 1.470819 3.127890 3.879697 3.084720 0.000000 4.425224 3.456883 6.538375 3.826255 2.513305 3.443723 4.326011 5.074632 1.339898 3.533880 0.000000 1.452402 2.670868 3.593465 4.999987 4.890523 3.677566 5.359967 6.056199 5.166902 2.394526 5.142008 0.000000 4.066960 3.879692 5.648592 4.423938 3.028045 3.577497 5.250546 5.517746 2.506502 3.619882 1.505377 4.750244 0.000000 5.603430 4.308313 6.969572 5.079704 3.895311 4.837495 5.261542 6.376734 2.485093 4.707230 1.505459 6.056387 2.539142 0.000000 2.491190 3.123355 2.438705 5.727073 5.247323 4.389351 6.094479 6.933426 5.157469 3.124103 4.746827 1.530347 4.200065 5.400769 0.000000 2.388615 4.129836 3.480294 6.074398 6.024860 4.689266 6.573009 6.899479 6.486791 3.647910 6.432831 1.511452 5.810668 7.407944 2.419773 0.000000 3.388679 4.996174 2.405846 7.123508 6.854267 5.668803 7.667405 8.008280 7.154941 4.610880 6.857717 2.370318 6.046110 7.693986 2.430683 1.349559 0.000000 3.489553 4.595188 1.224452 7.029527 6.532392 5.597412 7.506189 8.111143 6.537057 4.439912 6.025067 2.404875 5.222063 6.652185 1.517987 2.307369 1.472277 0.000000 2.976619 4.817395 4.890084 6.230580 6.475764 4.983743 6.735575 6.785871 7.195523 4.188478 7.367671 2.596855 6.821775 8.473939 3.835852 1.486454 2.551324 3.763192 0.000000 4.759716 6.482445 3.001112 8.473672 8.213985 7.003443 9.078275 9.242194 8.578640 6.041688 8.240272 3.833613 7.308484 9.070846 3.862156 2.562293 1.497428 2.598508 3.194761 0.000000 5.749743 7.246895 3.757744 9.459566 9.332027 8.059713 9.887647 10.261141 9.645199 6.969379 9.349062 4.621728 8.543156 10.086304 4.712542 3.387513 2.537822 3.495844 3.774894 1.511288 0.000000 5.781420 6.960379 4.101138 9.385374 9.380730 8.087695 9.610538 10.265160 9.617704 6.868385 9.398346 4.504676 8.783771 10.054289 4.688316 3.498301 2.954955 3.736867 3.854505 2.541419 1.331408 0.000000 4.216739 4.094935 7.809188 2.190865 1.087313 2.188135 3.507709 2.682477 2.178691 3.424737 2.916821 5.532324 3.108917 4.326858 5.844644 6.510339 7.271609 6.996166 6.915144 8.541269 9.763194 9.943833 0.000000 2.385801 3.286712 6.669849 2.229233 2.239512 1.082607 3.526757 2.669370 3.520838 2.142390 4.151474 3.838132 3.946280 5.618063 4.650716 4.532221 5.504427 5.636980 4.651706 6.704373 7.844718 8.016762 2.398152 0.000000 4.476778 3.374897 8.761410 2.154224 3.485313 3.089150 1.094712 2.782294 4.093453 3.406580 5.290059 5.384099 6.100852 6.240660 6.335110 6.473703 7.670187 7.681217 6.429963 9.028846 9.727031 9.374877 4.328189 3.811222 0.000000 5.423918 4.037100 9.490194 2.145051 3.092379 3.528164 1.095175 2.767226 3.395660 4.157220 4.706298 6.429143 5.790105 5.499119 7.086649 7.658513 8.734874 8.521820 7.816769 10.151440 10.976649 10.694878 3.830991 4.352385 1.768582 0.000000 4.182014 2.397873 7.924443 2.184919 2.793278 2.846680 1.087773 3.491950 2.767528 2.860188 3.855816 4.951501 4.888044 4.598606 5.509040 6.300599 7.304781 6.983202 6.660200 8.765293 9.519530 9.173988 3.834381 3.876478 1.765333 1.770632 0.000000 4.723174 4.996127 9.052506 2.177167 2.714846 2.698728 3.487358 1.093285 4.157475 4.131916 5.170482 6.159173 5.346201 6.570536 6.987043 6.856455 7.888733 8.040177 6.733848 9.036264 10.158399 10.303652 2.415115 2.410125 3.787230 3.770796 4.338762 0.000000 5.692256 5.270932 10.079759 2.156206 3.063427 3.472035 2.785652 1.095271 4.160445 4.760035 5.410239 7.030463 6.034520 6.586104 7.830453 7.946640 9.040843 9.066812 7.864254 10.301206 11.320395 11.297071 3.082114 3.685501 3.136247 2.570119 3.788308 1.769995 0.000000 4.804866 4.796749 9.408705 2.164331 3.463035 3.027031 2.793015 1.094977 4.757221 4.129944 5.936515 6.099426 6.342281 7.231191 7.169907 6.818686 8.024626 8.292632 6.489862 9.202995 10.120735 10.065756 3.679478 3.021920 2.595053 3.125286 3.798932 1.772124 1.771013 0.000000 4.963166 3.395913 8.003525 2.865672 2.200914 3.345077 2.807616 4.115043 1.087228 3.689614 2.089029 5.817423 3.480135 2.666235 5.848656 7.211231 7.936147 7.297726 7.877336 9.395395 10.372271 10.230717 2.945857 4.296738 3.874837 2.860925 2.397748 4.599709 4.168344 4.931667 0.000000 2.070547 2.484865 4.253938 5.062918 5.186686 3.968883 5.117535 6.167113 5.392326 2.580054 5.514742 1.092789 5.395377 6.319975 2.191303 2.151816 3.084628 3.131509 2.892572 4.466312 4.955754 4.542138 5.974012 4.306180 5.001564 6.187022 4.632944 6.448969 7.094987 6.100712 5.862147 0.000000 5.062039 4.969489 6.253165 5.208432 3.734571 4.472195 6.108924 6.153308 3.205230 4.676405 2.150530 5.749294 1.097076 2.833613 5.110402 6.706248 6.828419 5.973826 7.720357 7.989838 9.283984 9.620254 3.546477 4.722476 7.012312 6.534072 5.808209 5.865187 6.572722 7.055938 4.109884 6.450352 0.000000 3.962407 3.835656 4.694813 5.099723 3.838261 4.080104 5.788238 6.295373 3.241414 3.724003 2.146566 4.312721 1.096243 2.760757 3.461818 5.347570 5.398159 4.397965 6.527300 6.642719 7.822318 8.049237 4.072505 4.456751 6.554284 6.430184 5.278554 6.171691 6.894372 7.021415 4.123046 4.984803 1.755890 0.000000 3.414404 3.720257 5.596288 3.920138 2.609689 2.884098 4.975086 4.859972 2.674937 3.129824 2.178405 4.319276 1.090616 3.492777 4.053563 5.240636 5.590988 5.009925 6.102523 6.818540 8.114932 8.423936 2.549836 3.025015 5.728263 5.603913 4.791554 4.560181 5.498779 5.631136 3.754606 5.054562 1.772094 1.771612 0.000000 6.409016 5.322515 7.465680 5.836992 4.531120 5.595859 6.154084 7.012465 3.217474 5.600406 2.154680 6.893760 2.802594 1.096945 6.141202 8.166162 8.351501 7.267538 9.262419 9.660934 10.744008 10.805493 4.734589 6.266621 7.172094 6.310387 5.581464 7.090566 7.158129 7.941350 3.451961 7.256853 2.655011 3.088739 3.825279 0.000000 6.118269 4.499400 7.788378 5.090775 4.112255 5.144717 4.998422 6.386908 2.622718 5.055401 2.168077 6.588798 3.488143 1.092705 6.065877 8.016525 8.411810 7.409800 9.007447 9.835702 10.778046 10.638962 4.652915 6.036970 5.991187 5.069027 4.293491 6.733826 6.458359 7.220167 2.336441 6.693532 3.824149 3.774262 4.329809 1.774953 0.000000 5.506482 4.216596 6.234983 5.641396 4.534535 5.194892 5.741494 7.030483 3.200358 4.753320 2.151517 5.695226 2.806122 1.096818 4.837556 7.035325 7.192697 6.028857 8.218128 8.546669 9.477979 9.402039 5.061610 5.973708 6.624282 6.112413 4.946556 7.241124 7.350582 7.797538 3.419993 5.933563 3.211323 2.579250 3.788806 1.758121 1.774618 0.000000 2.521098 3.082497 2.814380 5.340133 4.609915 3.986797 5.872990 6.551052 4.447581 2.951558 3.879551 2.179092 3.163105 4.591006 1.093000 3.117543 3.120516 2.145974 4.463155 4.482659 5.531603 5.665722 5.101073 4.246196 6.283110 6.796778 5.321288 6.517973 7.398441 6.941273 5.244539 2.963488 4.032530 2.404750 3.069193 5.238832 5.369122 4.108321 0.000000 3.232658 3.137679 2.758544 6.073996 5.623296 4.903055 6.197395 7.400463 5.289837 3.535760 4.843869 2.205508 4.552120 5.228236 1.091128 3.228991 3.215996 2.158877 4.588215 4.571712 5.170979 4.913909 6.341200 5.354684 6.449191 7.144050 5.454571 7.584601 8.224460 7.643815 5.821574 2.380909 5.474638 3.742631 4.626897 6.030528 5.786377 4.517931 1.764844 0.000000 3.965533 5.881814 5.137932 7.227862 7.437797 5.958824 7.792930 7.689308 8.185808 5.229877 8.295518 3.526219 7.629517 9.401538 4.566889 2.152596 2.736487 4.152660 1.090258 2.821929 3.275990 3.570842 7.796034 5.519902 7.470383 8.867218 7.744168 7.551327 8.778132 7.365234 8.909436 3.874614 8.463811 7.293989 6.885709 10.143170 9.988071 9.116214 5.200793 5.344317 0.000000 2.679204 4.667631 5.505606 5.530879 5.842359 4.327992 6.186757 5.915498 6.742621 3.826644 7.034983 2.870135 6.502071 8.268340 4.200932 2.129515 3.269336 4.347895 1.094944 3.979499 4.758364 4.937045 6.188680 3.839594 5.887713 7.235445 6.267771 5.788434 7.005447 5.601148 7.450639 3.258571 7.371399 6.379540 5.668197 9.029715 8.788121 8.153431 4.605804 5.036952 1.779864 0.000000 3.350579 4.782571 5.455674 6.308445 6.746779 5.230879 6.580437 6.888623 7.425973 4.342773 7.710219 2.863715 7.357209 8.755509 4.216436 2.124216 3.237904 4.319575 1.096346 3.914416 4.150933 3.880040 7.310291 5.052115 6.133624 7.656808 6.480001 6.996998 7.931440 6.476769 7.980657 2.728779 8.326628 7.068527 6.699887 9.627096 9.176453 8.482718 4.967450 4.761295 1.775588 1.756951 0.000000 4.891458 6.848838 3.936123 8.484492 8.293940 7.023234 9.200993 9.085100 8.834237 6.238059 8.588935 4.227473 7.609770 9.554643 4.518693 2.802865 2.139099 3.422957 2.986611 1.096371 2.128884 3.216670 8.527376 6.567900 9.104822 10.269394 9.014896 8.793758 10.165260 8.990213 9.690526 4.908059 8.260669 7.068735 6.983787 10.126965 10.326710 9.134273 5.030171 5.352028 2.350494 3.607771 3.840183 0.000000 5.334748 7.000868 2.663972 9.006418 8.577014 7.497827 9.678669 9.811623 8.845493 6.573377 8.352614 4.454030 7.297174 9.101080 4.136327 3.378609 2.121589 2.694116 4.185118 1.095994 2.126580 3.249499 8.835009 7.196975 9.732037 10.727466 9.326652 9.542424 10.849246 9.872712 9.708186 5.187599 7.861259 6.561244 6.884466 9.588403 9.941990 8.536112 4.594365 4.825804 3.843988 4.866774 4.960043 1.748687 0.000000 6.744938 8.315860 4.502230 10.452385 10.307255 9.034712 10.928427 11.197825 10.648609 7.997052 10.318896 5.674509 9.439223 11.056192 5.724765 4.385504 3.496927 4.418872 4.632354 2.195242 1.088614 2.090144 10.684841 8.753209 10.757976 12.018285 10.585551 11.041463 12.268424 11.043216 11.404669 6.037062 10.122244 8.710215 8.995297 11.670060 11.782113 10.439595 6.486757 6.194166 3.953151 5.564744 5.034643 2.520940 2.479517 0.000000 6.779628 7.842552 5.008200 10.314000 10.370739 9.064389 10.453284 11.188991 10.586224 7.821099 10.383046 5.487052 9.816327 10.986095 5.674636 4.529975 4.039778 4.752821 4.741573 3.519625 2.106526 1.085255 10.967072 9.017251 10.158488 11.530787 9.999268 11.268230 12.213310 10.936795 11.152523 5.399838 10.661781 9.062617 9.481864 11.755880 11.532807 10.297562 6.679413 5.787361 4.388031 5.831240 4.617261 4.112048 4.135388 2.419816 0.000000 5.021430 5.995933 3.844991 8.526844 8.563150 7.288347 8.657348 9.473940 8.751151 6.002471 8.586317 3.680614 8.097816 9.220514 3.941755 2.926520 2.652154 3.281472 3.422136 2.828133 2.119928 1.085806 9.200039 7.323173 8.422515 9.732594 8.180258 9.593031 10.478087 9.284468 9.304943 3.567971 8.996087 7.386753 7.774850 10.027129 9.743009 8.578560 4.986092 4.068651 3.451316 4.495580 3.300177 3.558208 3.615011 3.074199 1.849047 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:-.0924,-.8099,-.2279;1.257,-.1797,1.4648;-3.3398,2.489,-.1385;3.5469,-1.6503,-.0903;3.4909,-.2847,-.7029;2.1872,-1.1165,-.5565;3.8438,-1.8155,1.3875;4.1086,-2.7766,-.9407;3.7358,.9636,.0734;1.1273,-.6587,.3548;3.19,2.1579,-.1933;-1.2404,-.349,.5331;2.1883,2.3841,-1.2941;3.5312,3.3799,.6171;-1.3974,1.1733,.5272;-2.4786,-.883,-.1497;-3.3477,.1039,-.453;-2.7855,1.4014,-.0432;-2.6388,-2.3453,-.3628;-4.7108,-.0161,-1.0612;-5.8205,-.333,-.0854;-5.6868,-.5902,1.2141;3.8002,-.2359,-1.7441;1.805,-1.5392,-1.477;3.4187,-2.7552,1.7546;4.9277,-1.8586,1.538;3.4444,-1.0065,1.9951;3.8861,-2.6357,-2.0018;5.1969,-2.8261,-.8278;3.6935,-3.7411,-.6301;4.432,.887,.905;-1.1596,-.7524,1.5455;2.588,3.0839,-2.0385;1.2805,2.8475,-.8905;1.9026,1.466,-1.8086;3.9325,4.1736,-.0251;4.2658,3.165,1.397;2.6323,3.789,1.0941;-.6549,1.6453,-.1213;-1.3102,1.6235,1.5172;-3.578,-2.5927,-.8582;-1.8067,-2.7348,-.9584;-2.6046,-2.866,.6014;-4.709,-.7834,-1.8443;-4.9563,.9252,-1.5661;-6.8147,-.347,-.5287;-6.5516,-.8102,1.8317;-4.7201,-.5878,1.7086; 0.4917271 0.1436475 0.1218624 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= 1.13D-06 NBF= 640 NBsUse= 639 1.00D-06 EigRej= 5.05D-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= 658 658 658 658 658 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -965.646525698438 -965.646525698 1 9.613214077874e+02 -5.899547792982e+03 2.146639891684e+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. PT697.200S Tue Oct 8 00:35:43 2024 -19.17155 -19.11773 -19.11572 -10.30769 -10.26338 -10.24273 -10.20722 -10.19653 -10.18730 -10.18668 -10.18556 -10.17865 -10.17840 -10.17624 -10.17535 -10.17008 -10.15985 -10.15832 -10.15812 -10.15598 -10.15532 -10.15382 -1.11147 -1.04740 -1.02561 -0.88336 -0.87137 -0.80614 -0.80219 -0.76039 -0.74641 -0.73122 -0.70808 -0.69132 -0.68713 -0.67859 -0.67312 -0.63227 -0.57893 -0.56553 -0.56018 -0.54993 -0.52581 -0.51177 -0.50095 -0.49155 -0.47903 -0.46978 -0.46806 -0.46304 -0.45925 -0.44925 -0.44283 -0.43400 -0.42821 -0.42338 -0.42050 -0.41754 -0.40866 -0.40199 -0.39523 -0.39213 -0.39035 -0.38357 -0.38043 -0.37992 -0.37640 -0.36692 -0.36551 -0.36197 -0.35127 -0.35035 -0.34277 -0.33035 -0.31842 -0.29819 -0.28925 -0.28471 -0.26867 -0.26584 -0.25976 -0.23321 -0.05972 -0.01829 0.00089 0.00257 0.01013 0.01364 0.01752 0.02178 0.02366 0.03111 0.03239 0.03535 0.03959 0.04351 0.04803 0.05070 0.05226 0.05473 0.05894 0.06288 0.06538 0.06979 0.07103 0.07209 0.07575 0.08095 0.08414 0.08839 0.09145 0.09450 0.09628 0.10066 0.10300 0.10382 0.10654 0.11292 0.11700 0.11822 0.12131 0.12761 0.13025 0.13177 0.13344 0.13542 0.14024 0.14160 0.14338 0.14505 0.15164 0.15316 0.15444 0.15936 0.16148 0.16531 0.16804 0.17193 0.17366 0.17545 0.17962 0.18351 0.18628 0.18737 0.19078 0.19482 0.19735 0.19959 0.20278 0.20320 0.20408 0.20681 0.20880 0.21183 0.21235 0.21494 0.21873 0.22150 0.22333 0.22687 0.22893 0.23134 0.23548 0.23656 0.23973 0.24108 0.24656 0.25007 0.25077 0.25379 0.25646 0.25784 0.26035 0.26566 0.26782 0.26832 0.27267 0.27574 0.27868 0.28194 0.28365 0.28496 0.28830 0.29661 0.29893 0.30295 0.30310 0.30381 0.30919 0.31691 0.31926 0.32467 0.32777 0.33186 0.33421 0.33670 0.34276 0.34540 0.34840 0.35087 0.35338 0.36249 0.36704 0.36986 0.37350 0.37816 0.38477 0.38896 0.39473 0.39772 0.40225 0.40907 0.41723 0.42492 0.42628 0.43063 0.43846 0.44528 0.45291 0.45472 0.45893 0.46430 0.46822 0.47616 0.48137 0.49159 0.49586 0.49762 0.50596 0.51674 0.52217 0.53139 0.53727 0.53787 0.54113 0.55104 0.55442 0.56406 0.57421 0.57592 0.57995 0.58472 0.58659 0.59321 0.59909 0.60443 0.60661 0.61261 0.61847 0.62604 0.62746 0.63161 0.63583 0.64101 0.64533 0.65315 0.65534 0.66096 0.66332 0.66744 0.67260 0.67634 0.67961 0.68523 0.68711 0.69184 0.69424 0.69720 0.69962 0.70762 0.70992 0.71409 0.71642 0.71979 0.72272 0.72439 0.72815 0.73578 0.74166 0.74596 0.74857 0.75265 0.76448 0.76675 0.77050 0.77965 0.78525 0.78728 0.79028 0.79871 0.80092 0.80617 0.81162 0.81441 0.82546 0.83984 0.84625 0.85147 0.85468 0.86064 0.87233 0.88077 0.88977 0.90482 0.90578 0.92539 0.93367 0.94086 0.94729 0.94961 0.96327 0.96699 0.98471 0.99541 1.00302 1.01068 1.02937 1.04328 1.05405 1.06584 1.07810 1.09857 1.10454 1.11323 1.11704 1.12527 1.12815 1.13628 1.13973 1.15757 1.16793 1.17679 1.18846 1.20251 1.21025 1.22759 1.23722 1.25271 1.26135 1.28754 1.29205 1.30319 1.31398 1.31698 1.33249 1.34283 1.34947 1.36525 1.37736 1.38499 1.39447 1.40151 1.40774 1.42417 1.43622 1.44343 1.44890 1.45339 1.45482 1.45948 1.46325 1.47421 1.47885 1.48389 1.48711 1.49127 1.49894 1.50758 1.50945 1.51398 1.52078 1.52794 1.53714 1.55004 1.55335 1.56637 1.57133 1.57921 1.58251 1.59600 1.60016 1.60317 1.61926 1.62112 1.62238 1.62836 1.63496 1.63630 1.64950 1.65317 1.65472 1.65931 1.66601 1.67446 1.67812 1.68643 1.69861 1.70215 1.70712 1.71181 1.71685 1.72034 1.72226 1.73119 1.73844 1.74725 1.75070 1.76144 1.77242 1.77593 1.78377 1.79022 1.80169 1.81665 1.81851 1.82058 1.83590 1.83759 1.84667 1.85274 1.86521 1.86795 1.87494 1.89009 1.89429 1.90383 1.91443 1.92140 1.93248 1.94066 1.95252 1.95959 1.96896 1.97797 1.98425 2.00243 2.00368 2.01545 2.03040 2.03691 2.05294 2.06765 2.06980 2.08525 2.08740 2.09587 2.10194 2.12039 2.12936 2.13031 2.14599 2.15641 2.16656 2.17599 2.18257 2.18878 2.19170 2.20333 2.20809 2.22181 2.23057 2.23920 2.25764 2.25897 2.28338 2.30023 2.30190 2.33492 2.34696 2.36785 2.37882 2.39178 2.39790 2.42073 2.43520 2.44523 2.45771 2.45890 2.46957 2.47734 2.48555 2.49536 2.49979 2.51072 2.51354 2.52643 2.52883 2.53363 2.53974 2.54303 2.55195 2.55397 2.56161 2.56424 2.57360 2.58521 2.59108 2.60170 2.60582 2.61332 2.62336 2.63071 2.64078 2.64587 2.65854 2.66587 2.67040 2.67171 2.67881 2.68865 2.69316 2.70761 2.72258 2.74122 2.74727 2.75541 2.75904 2.76598 2.77277 2.77751 2.79548 2.80824 2.81897 2.82143 2.82490 2.83950 2.85295 2.86215 2.87703 2.88241 2.89155 2.89393 2.90927 2.91300 2.92427 2.93940 2.94420 2.94583 2.95998 2.97132 2.98205 2.98977 3.01078 3.02117 3.03420 3.06892 3.08338 3.09569 3.10315 3.10902 3.12322 3.13189 3.14106 3.16461 3.17895 3.19162 3.20898 3.22628 3.22829 3.24115 3.25150 3.28080 3.28860 3.32016 3.33353 3.36228 3.37803 3.39026 3.46759 3.49419 3.52934 3.55267 3.59827 3.61636 3.62785 3.68296 3.68958 3.71717 3.76992 3.78067 3.78315 3.79817 3.81207 3.81575 3.82291 3.84188 3.84569 3.84853 3.85627 3.86823 3.87564 3.88906 3.94789 3.99121 4.04889 4.08244 4.12580 4.19498 4.21877 4.27008 4.28058 4.30231 4.31232 4.34098 4.44988 4.53965 4.57930 4.61720 5.08342 5.11574 5.15455 5.22917 5.32108 5.41687 5.66810 5.74385 5.91465 23.65325 23.71844 23.77519 23.82002 23.83768 23.86988 23.87954 23.88477 23.91783 23.95110 23.95732 23.96305 23.98798 23.99859 24.00543 24.00963 24.20299 24.26937 24.27421 49.94091 50.02620 50.04595 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 0.118939 -0.253598 -0.410659 0.096641 0.078572 0.153629 -0.698818 -0.288569 -0.352716 -0.535559 0.505048 -0.564148 -0.833006 -0.569436 -0.036371 0.239211 1.125313 -0.479585 -0.558221 -0.802529 0.054553 -0.500449 0.189296 0.187704 0.157559 0.155717 0.158498 0.152385 0.162117 0.160179 0.143251 0.223848 0.169708 0.166226 0.159245 0.158120 0.150525 0.156145 0.240086 0.225795 0.174441 0.188291 0.190364 0.188857 0.186480 0.160552 0.156498 0.149871 -0.00000 2.0398 -5.4707 -2.3968 6.3114 -132.5615 -138.6545 -133.2990 16.3504 -2.0926 0.7766 2.2768 -3.8162 1.5394 16.3504 -2.0926 0.7766 14.8835 -36.2666 -7.3160 62.4506 -83.5842 -22.9142 -13.7588 -2.2104 0.0926 0.8142 -9103.9545 -2565.7252 -745.0294 168.4254 164.0910 142.1791 -4.3929 -22.3297 5.5193 -2134.1630 -1605.9020 -528.7824 7.7006 -0.3512 5.9603 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-HAMILTON37 APULGAR 2024-10-08T00:00:00.000 0 Wavefunction CONF156 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-965.6465257 RMSD=5.542e-09 Dipole=0.8984547,2.3148093,0.0157254 Quadrupole=-0.0366241,-0.8502661,0.8868902,-10.5780194,6.5684159,0.9186695 PG=C01 [X(C19H26O3)] 0 0.0270905108 0.8263351121 -0.2290988658 0 1.4052566708 -0.5081923012 -1.4134111876 0 -3.4203153879 -2.0725438802 0.8426181522 0 3.7156698725 1.3833047359 -0.4601725978 0 3.5446919601 0.4025101762 0.6587382413 0 2.3052039794 1.1491959454 0.0937661493 0 4.086779111 0.9033114282 -1.8497995762 0 4.3116330743 2.7381366914 -0.1185610129 0 3.7417623937 -1.06493784 0.4888061498 0 1.2586426632 0.39589274 -0.6137311198 0 3.1085638077 -2.0149486187 1.1901380235 0 -1.1141280565 0.1366473514 -0.8047931234 0 2.047352283 -1.7192223006 2.2160693218 0 3.4048810059 -3.4766093106 0.9848310955 0 -1.3695591816 -1.2358941203 -0.1780187434 0 -2.3436898488 0.9571394467 -0.489425917 0 -3.2873839411 0.2237851487 0.1374249068 0 -2.7931106633 -1.1479252676 0.3416414205 0 -2.4179583326 2.3798198253 -0.9137023047 0 -4.665051141 0.642392421 0.5486309353 0 -5.7082654256 0.5671617232 -0.5422567184 0 -5.5016005292 0.2517897174 -1.8191585242 0 3.804505153 0.7809702918 1.6443921127 0 1.9114361677 1.9332248196 0.7280237467 0 3.7398885471 1.6198346079 -2.6012347201 0 5.176749237 0.835347803 -1.9319857556 0 3.6627278809 -0.0686868943 -2.0919781244 0 4.0343587466 3.0629848478 0.8878505455 0 5.4047484766 2.6915320435 -0.1690025581 0 3.9738583414 3.5004006052 -0.8283747928 0 4.4770688364 -1.3714426871 -0.2510887388 0 -0.9633427577 0.0761716786 -1.8854382466 0 2.3679406212 -2.05926776 3.2086258171 0 1.1298577991 -2.271529571 1.9817406761 0 1.7995357496 -0.6592331795 2.2828088342 0 3.7255045593 -3.9447162779 1.9236409256 0 4.1851147735 -3.637613663 0.2369567393 0 2.5030021089 -4.0107518886 0.661850361 0 -0.6882046789 -1.4233859338 0.6557989114 0 -1.2686867096 -2.0620248566 -0.8836345883 0 -3.3598708923 2.8496036977 -0.6295063952 0 -1.5890975822 2.9484521891 -0.4794784454 0 -2.3080292988 2.4477478307 -2.0024058644 0 -4.6475774948 1.666072758 0.9408078935 0 -4.9928003856 0.009303658 1.381086337 0 -6.7177943887 0.8057112168 -0.2120658514 0 -6.3225884292 0.2283767865 -2.5285303735 0 -4.5164659849 0.0035759109 -2.2024006444 Gaussian 16 8-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:.0271,.8263,-.2291;1.4053,-.5082,-1.4134;-3.4203,-2.0725,.8426;3.7157,1.3833,-.4602;3.5447,.4025,.6587;2.3052,1.1492,.0938;4.0868,.9033,-1.8498;4.3116,2.7381,-.1186;3.7418,-1.0649,.4888;1.2586,.3959,-.6137;3.1086,-2.0149,1.1901;-1.1141,.1366,-.8048;2.0474,-1.7192,2.2161;3.4049,-3.4766,.9848;-1.3696,-1.2359,-.178;-2.3437,.9571,-.4894;-3.2874,.2238,.1374;-2.7931,-1.1479,.3416;-2.418,2.3798,-.9137;-4.6651,.6424,.5486;-5.7083,.5672,-.5423;-5.5016,.2518,-1.8192;3.8045,.781,1.6444;1.9114,1.9332,.728;3.7399,1.6198,-2.6012;5.1767,.8353,-1.932;3.6627,-.0687,-2.092;4.0344,3.063,.8879;5.4047,2.6915,-.169;3.9739,3.5004,-.8284;4.4771,-1.3714,-.2511;-.9633,.0762,-1.8854;2.3679,-2.0593,3.2086;1.1299,-2.2715,1.9817;1.7995,-.6592,2.2828;3.7255,-3.9447,1.9236;4.1851,-3.6376,.237;2.503,-4.0108,.6619;-.6882,-1.4234,.6558;-1.2687,-2.062,-.8836;-3.3599,2.8496,-.6295;-1.5891,2.9485,-.4795;-2.308,2.4477,-2.0024;-4.6476,1.6661,.9408;-4.9928,.0093,1.3811;-6.7178,.8057,-.2121;-6.3226,.2284,-2.5285;-4.5165,.0036,-2.2024; 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 CONF156 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 1825.9903626513 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 -0.0513575692 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 2.254529 0.000000 4.629977 5.551847 0.000000 3.737543 3.134395 8.035076 0.000000 3.652588 3.114541 7.393986 1.497716 0.000000 2.323420 2.414213 6.612258 1.533320 1.553404 0.000000 4.371918 3.061591 8.512420 1.516304 2.614847 2.648002 0.000000 4.693028 4.545582 9.156939 1.519026 2.578283 2.568185 2.532653 0.000000 4.229786 3.063928 7.241258 2.625859 1.490341 2.668735 3.076056 3.893202 0.000000 1.360126 1.215876 5.486965 2.652460 2.616342 1.470819 3.127890 3.879697 3.084720 0.000000 4.425224 3.456883 6.538375 3.826255 2.513305 3.443723 4.326011 5.074632 1.339898 3.533880 0.000000 1.452402 2.670868 3.593465 4.999987 4.890523 3.677566 5.359967 6.056199 5.166902 2.394526 5.142008 0.000000 4.066960 3.879692 5.648592 4.423938 3.028045 3.577497 5.250546 5.517746 2.506502 3.619882 1.505377 4.750244 0.000000 5.603430 4.308313 6.969572 5.079704 3.895311 4.837495 5.261542 6.376734 2.485093 4.707230 1.505459 6.056387 2.539142 0.000000 2.491190 3.123355 2.438705 5.727073 5.247323 4.389351 6.094479 6.933426 5.157469 3.124103 4.746827 1.530347 4.200065 5.400769 0.000000 2.388615 4.129836 3.480294 6.074398 6.024860 4.689266 6.573009 6.899479 6.486791 3.647910 6.432831 1.511452 5.810668 7.407944 2.419773 0.000000 3.388679 4.996174 2.405846 7.123508 6.854267 5.668803 7.667405 8.008280 7.154941 4.610880 6.857717 2.370318 6.046110 7.693986 2.430683 1.349559 0.000000 3.489553 4.595188 1.224452 7.029527 6.532392 5.597412 7.506189 8.111143 6.537057 4.439912 6.025067 2.404875 5.222063 6.652185 1.517987 2.307369 1.472277 0.000000 2.976619 4.817395 4.890084 6.230580 6.475764 4.983743 6.735575 6.785871 7.195523 4.188478 7.367671 2.596855 6.821775 8.473939 3.835852 1.486454 2.551324 3.763192 0.000000 4.759716 6.482445 3.001112 8.473672 8.213985 7.003443 9.078275 9.242194 8.578640 6.041688 8.240272 3.833613 7.308484 9.070846 3.862156 2.562293 1.497428 2.598508 3.194761 0.000000 5.749743 7.246895 3.757744 9.459566 9.332027 8.059713 9.887647 10.261141 9.645199 6.969379 9.349062 4.621728 8.543156 10.086304 4.712542 3.387513 2.537822 3.495844 3.774894 1.511288 0.000000 5.781420 6.960379 4.101138 9.385374 9.380730 8.087695 9.610538 10.265160 9.617704 6.868385 9.398346 4.504676 8.783771 10.054289 4.688316 3.498301 2.954955 3.736867 3.854505 2.541419 1.331408 0.000000 4.216739 4.094935 7.809188 2.190865 1.087313 2.188135 3.507709 2.682477 2.178691 3.424737 2.916821 5.532324 3.108917 4.326858 5.844644 6.510339 7.271609 6.996166 6.915144 8.541269 9.763194 9.943833 0.000000 2.385801 3.286712 6.669849 2.229233 2.239512 1.082607 3.526757 2.669370 3.520838 2.142390 4.151474 3.838132 3.946280 5.618063 4.650716 4.532221 5.504427 5.636980 4.651706 6.704373 7.844718 8.016762 2.398152 0.000000 4.476778 3.374897 8.761410 2.154224 3.485313 3.089150 1.094712 2.782294 4.093453 3.406580 5.290059 5.384099 6.100852 6.240660 6.335110 6.473703 7.670187 7.681217 6.429963 9.028846 9.727031 9.374877 4.328189 3.811222 0.000000 5.423918 4.037100 9.490194 2.145051 3.092379 3.528164 1.095175 2.767226 3.395660 4.157220 4.706298 6.429143 5.790105 5.499119 7.086649 7.658513 8.734874 8.521820 7.816769 10.151440 10.976649 10.694878 3.830991 4.352385 1.768582 0.000000 4.182014 2.397873 7.924443 2.184919 2.793278 2.846680 1.087773 3.491950 2.767528 2.860188 3.855816 4.951501 4.888044 4.598606 5.509040 6.300599 7.304781 6.983202 6.660200 8.765293 9.519530 9.173988 3.834381 3.876478 1.765333 1.770632 0.000000 4.723174 4.996127 9.052506 2.177167 2.714846 2.698728 3.487358 1.093285 4.157475 4.131916 5.170482 6.159173 5.346201 6.570536 6.987043 6.856455 7.888733 8.040177 6.733848 9.036264 10.158399 10.303652 2.415115 2.410125 3.787230 3.770796 4.338762 0.000000 5.692256 5.270932 10.079759 2.156206 3.063427 3.472035 2.785652 1.095271 4.160445 4.760035 5.410239 7.030463 6.034520 6.586104 7.830453 7.946640 9.040843 9.066812 7.864254 10.301206 11.320395 11.297071 3.082114 3.685501 3.136247 2.570119 3.788308 1.769995 0.000000 4.804866 4.796749 9.408705 2.164331 3.463035 3.027031 2.793015 1.094977 4.757221 4.129944 5.936515 6.099426 6.342281 7.231191 7.169907 6.818686 8.024626 8.292632 6.489862 9.202995 10.120735 10.065756 3.679478 3.021920 2.595053 3.125286 3.798932 1.772124 1.771013 0.000000 4.963166 3.395913 8.003525 2.865672 2.200914 3.345077 2.807616 4.115043 1.087228 3.689614 2.089029 5.817423 3.480135 2.666235 5.848656 7.211231 7.936147 7.297726 7.877336 9.395395 10.372271 10.230717 2.945857 4.296738 3.874837 2.860925 2.397748 4.599709 4.168344 4.931667 0.000000 2.070547 2.484865 4.253938 5.062918 5.186686 3.968883 5.117535 6.167113 5.392326 2.580054 5.514742 1.092789 5.395377 6.319975 2.191303 2.151816 3.084628 3.131509 2.892572 4.466312 4.955754 4.542138 5.974012 4.306180 5.001564 6.187022 4.632944 6.448969 7.094987 6.100712 5.862147 0.000000 5.062039 4.969489 6.253165 5.208432 3.734571 4.472195 6.108924 6.153308 3.205230 4.676405 2.150530 5.749294 1.097076 2.833613 5.110402 6.706248 6.828419 5.973826 7.720357 7.989838 9.283984 9.620254 3.546477 4.722476 7.012312 6.534072 5.808209 5.865187 6.572722 7.055938 4.109884 6.450352 0.000000 3.962407 3.835656 4.694813 5.099723 3.838261 4.080104 5.788238 6.295373 3.241414 3.724003 2.146566 4.312721 1.096243 2.760757 3.461818 5.347570 5.398159 4.397965 6.527300 6.642719 7.822318 8.049237 4.072505 4.456751 6.554284 6.430184 5.278554 6.171691 6.894372 7.021415 4.123046 4.984803 1.755890 0.000000 3.414404 3.720257 5.596288 3.920138 2.609689 2.884098 4.975086 4.859972 2.674937 3.129824 2.178405 4.319276 1.090616 3.492777 4.053563 5.240636 5.590988 5.009925 6.102523 6.818540 8.114932 8.423936 2.549836 3.025015 5.728263 5.603913 4.791554 4.560181 5.498779 5.631136 3.754606 5.054562 1.772094 1.771612 0.000000 6.409016 5.322515 7.465680 5.836992 4.531120 5.595859 6.154084 7.012465 3.217474 5.600406 2.154680 6.893760 2.802594 1.096945 6.141202 8.166162 8.351501 7.267538 9.262419 9.660934 10.744008 10.805493 4.734589 6.266621 7.172094 6.310387 5.581464 7.090566 7.158129 7.941350 3.451961 7.256853 2.655011 3.088739 3.825279 0.000000 6.118269 4.499400 7.788378 5.090775 4.112255 5.144717 4.998422 6.386908 2.622718 5.055401 2.168077 6.588798 3.488143 1.092705 6.065877 8.016525 8.411810 7.409800 9.007447 9.835702 10.778046 10.638962 4.652915 6.036970 5.991187 5.069027 4.293491 6.733826 6.458359 7.220167 2.336441 6.693532 3.824149 3.774262 4.329809 1.774953 0.000000 5.506482 4.216596 6.234983 5.641396 4.534535 5.194892 5.741494 7.030483 3.200358 4.753320 2.151517 5.695226 2.806122 1.096818 4.837556 7.035325 7.192697 6.028857 8.218128 8.546669 9.477979 9.402039 5.061610 5.973708 6.624282 6.112413 4.946556 7.241124 7.350582 7.797538 3.419993 5.933563 3.211323 2.579250 3.788806 1.758121 1.774618 0.000000 2.521098 3.082497 2.814380 5.340133 4.609915 3.986797 5.872990 6.551052 4.447581 2.951558 3.879551 2.179092 3.163105 4.591006 1.093000 3.117543 3.120516 2.145974 4.463155 4.482659 5.531603 5.665722 5.101073 4.246196 6.283110 6.796778 5.321288 6.517973 7.398441 6.941273 5.244539 2.963488 4.032530 2.404750 3.069193 5.238832 5.369122 4.108321 0.000000 3.232658 3.137679 2.758544 6.073996 5.623296 4.903055 6.197395 7.400463 5.289837 3.535760 4.843869 2.205508 4.552120 5.228236 1.091128 3.228991 3.215996 2.158877 4.588215 4.571712 5.170979 4.913909 6.341200 5.354684 6.449191 7.144050 5.454571 7.584601 8.224460 7.643815 5.821574 2.380909 5.474638 3.742631 4.626897 6.030528 5.786377 4.517931 1.764844 0.000000 3.965533 5.881814 5.137932 7.227862 7.437797 5.958824 7.792930 7.689308 8.185808 5.229877 8.295518 3.526219 7.629517 9.401538 4.566889 2.152596 2.736487 4.152660 1.090258 2.821929 3.275990 3.570842 7.796034 5.519902 7.470383 8.867218 7.744168 7.551327 8.778132 7.365234 8.909436 3.874614 8.463811 7.293989 6.885709 10.143170 9.988071 9.116214 5.200793 5.344317 0.000000 2.679204 4.667631 5.505606 5.530879 5.842359 4.327992 6.186757 5.915498 6.742621 3.826644 7.034983 2.870135 6.502071 8.268340 4.200932 2.129515 3.269336 4.347895 1.094944 3.979499 4.758364 4.937045 6.188680 3.839594 5.887713 7.235445 6.267771 5.788434 7.005447 5.601148 7.450639 3.258571 7.371399 6.379540 5.668197 9.029715 8.788121 8.153431 4.605804 5.036952 1.779864 0.000000 3.350579 4.782571 5.455674 6.308445 6.746779 5.230879 6.580437 6.888623 7.425973 4.342773 7.710219 2.863715 7.357209 8.755509 4.216436 2.124216 3.237904 4.319575 1.096346 3.914416 4.150933 3.880040 7.310291 5.052115 6.133624 7.656808 6.480001 6.996998 7.931440 6.476769 7.980657 2.728779 8.326628 7.068527 6.699887 9.627096 9.176453 8.482718 4.967450 4.761295 1.775588 1.756951 0.000000 4.891458 6.848838 3.936123 8.484492 8.293940 7.023234 9.200993 9.085100 8.834237 6.238059 8.588935 4.227473 7.609770 9.554643 4.518693 2.802865 2.139099 3.422957 2.986611 1.096371 2.128884 3.216670 8.527376 6.567900 9.104822 10.269394 9.014896 8.793758 10.165260 8.990213 9.690526 4.908059 8.260669 7.068735 6.983787 10.126965 10.326710 9.134273 5.030171 5.352028 2.350494 3.607771 3.840183 0.000000 5.334748 7.000868 2.663972 9.006418 8.577014 7.497827 9.678669 9.811623 8.845493 6.573377 8.352614 4.454030 7.297174 9.101080 4.136327 3.378609 2.121589 2.694116 4.185118 1.095994 2.126580 3.249499 8.835009 7.196975 9.732037 10.727466 9.326652 9.542424 10.849246 9.872712 9.708186 5.187599 7.861259 6.561244 6.884466 9.588403 9.941990 8.536112 4.594365 4.825804 3.843988 4.866774 4.960043 1.748687 0.000000 6.744938 8.315860 4.502230 10.452385 10.307255 9.034712 10.928427 11.197825 10.648609 7.997052 10.318896 5.674509 9.439223 11.056192 5.724765 4.385504 3.496927 4.418872 4.632354 2.195242 1.088614 2.090144 10.684841 8.753209 10.757976 12.018285 10.585551 11.041463 12.268424 11.043216 11.404669 6.037062 10.122244 8.710215 8.995297 11.670060 11.782113 10.439595 6.486757 6.194166 3.953151 5.564744 5.034643 2.520940 2.479517 0.000000 6.779628 7.842552 5.008200 10.314000 10.370739 9.064389 10.453284 11.188991 10.586224 7.821099 10.383046 5.487052 9.816327 10.986095 5.674636 4.529975 4.039778 4.752821 4.741573 3.519625 2.106526 1.085255 10.967072 9.017251 10.158488 11.530787 9.999268 11.268230 12.213310 10.936795 11.152523 5.399838 10.661781 9.062617 9.481864 11.755880 11.532807 10.297562 6.679413 5.787361 4.388031 5.831240 4.617261 4.112048 4.135388 2.419816 0.000000 5.021430 5.995933 3.844991 8.526844 8.563150 7.288347 8.657348 9.473940 8.751151 6.002471 8.586317 3.680614 8.097816 9.220514 3.941755 2.926520 2.652154 3.281472 3.422136 2.828133 2.119928 1.085806 9.200039 7.323173 8.422515 9.732594 8.180258 9.593031 10.478087 9.284468 9.304943 3.567971 8.996087 7.386753 7.774850 10.027129 9.743009 8.578560 4.986092 4.068651 3.451316 4.495580 3.300177 3.558208 3.615011 3.074199 1.849047 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:-.0924,-.8099,-.2279;1.257,-.1797,1.4648;-3.3398,2.489,-.1385;3.5469,-1.6503,-.0903;3.4909,-.2847,-.7029;2.1872,-1.1165,-.5565;3.8438,-1.8155,1.3875;4.1086,-2.7766,-.9407;3.7358,.9636,.0734;1.1273,-.6587,.3548;3.19,2.1579,-.1933;-1.2404,-.349,.5331;2.1883,2.3841,-1.2941;3.5312,3.3799,.6171;-1.3974,1.1733,.5272;-2.4786,-.883,-.1497;-3.3477,.1039,-.453;-2.7855,1.4014,-.0432;-2.6388,-2.3453,-.3628;-4.7108,-.0161,-1.0612;-5.8205,-.333,-.0854;-5.6868,-.5902,1.2141;3.8002,-.2359,-1.7441;1.805,-1.5392,-1.477;3.4187,-2.7552,1.7546;4.9277,-1.8586,1.538;3.4444,-1.0065,1.9951;3.8861,-2.6357,-2.0018;5.1969,-2.8261,-.8278;3.6935,-3.7411,-.6301;4.432,.887,.905;-1.1596,-.7524,1.5455;2.588,3.0839,-2.0385;1.2805,2.8475,-.8905;1.9026,1.466,-1.8086;3.9325,4.1736,-.0251;4.2658,3.165,1.397;2.6323,3.789,1.0941;-.6549,1.6453,-.1213;-1.3102,1.6235,1.5172;-3.578,-2.5927,-.8582;-1.8067,-2.7348,-.9584;-2.6046,-2.866,.6014;-4.709,-.7834,-1.8443;-4.9563,.9252,-1.5661;-6.8147,-.347,-.5287;-6.5516,-.8102,1.8317;-4.7201,-.5878,1.7086; 0.4917271 0.1436475 0.1218624 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= 1.13D-06 NBF= 640 NBsUse= 639 1.00D-06 EigRej= 5.05D-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= 658 658 658 658 658 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -965.646525698437 -965.646525698 1 9.613214077874e+02 -5.899547792982e+03 2.146639891684e+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 3.9976 310.14 0.0010 0.000 79 83 -0.15228 80 83 -0.31088 81 83 0.57951 82 83 0.18266 -965.499615016 2 Singlet-A 4.2604 291.02 0.0001 0.000 81 83 -0.15755 82 83 0.68258 3 Singlet-A 4.7746 259.67 0.0051 0.000 79 83 -0.11844 80 83 0.62605 81 83 0.30464 4 Singlet-A 5.0794 244.09 0.1241 0.000 79 83 -0.13891 82 84 0.67158 5 Singlet-A 5.2515 236.09 0.2897 0.000 77 83 -0.16133 78 83 0.10372 79 83 0.62836 81 83 0.17456 82 84 0.13132 6 Singlet-A 5.6530 219.33 0.1315 0.000 76 83 -0.11032 77 83 0.58287 78 83 -0.31466 79 83 0.17325 7 Singlet-A 5.6813 218.23 0.0053 0.000 77 83 0.31177 77 84 -0.11357 78 83 0.60734 79 84 0.10031 8 Singlet-A 5.7047 217.34 0.0165 0.000 77 84 0.16531 79 84 -0.15316 82 85 -0.27741 82 86 0.52052 82 87 0.19399 82 88 0.15347 9 Singlet-A 5.7176 216.85 0.0113 0.000 76 84 -0.16201 77 84 0.40303 78 83 0.10922 78 84 -0.12055 79 84 -0.37794 82 85 0.11578 82 86 -0.21876 10 Singlet-A 5.9624 207.94 0.0012 0.000 76 83 0.68863 77 83 0.13869 PT31518.100S Tue Oct 8 01:41:38 2024 -19.17155 -19.11773 -19.11572 -10.30769 -10.26338 -10.24273 -10.20722 -10.19653 -10.18730 -10.18668 -10.18556 -10.17865 -10.17840 -10.17624 -10.17535 -10.17008 -10.15985 -10.15832 -10.15812 -10.15598 -10.15532 -10.15382 -1.11147 -1.04740 -1.02561 -0.88336 -0.87137 -0.80614 -0.80219 -0.76039 -0.74641 -0.73122 -0.70808 -0.69132 -0.68713 -0.67859 -0.67312 -0.63227 -0.57893 -0.56553 -0.56018 -0.54993 -0.52581 -0.51177 -0.50095 -0.49155 -0.47903 -0.46978 -0.46806 -0.46304 -0.45925 -0.44925 -0.44283 -0.43400 -0.42821 -0.42338 -0.42050 -0.41754 -0.40866 -0.40199 -0.39523 -0.39213 -0.39035 -0.38357 -0.38043 -0.37992 -0.37640 -0.36692 -0.36551 -0.36197 -0.35127 -0.35035 -0.34277 -0.33035 -0.31842 -0.29819 -0.28925 -0.28471 -0.26867 -0.26584 -0.25976 -0.23321 -0.05972 -0.01829 0.00089 0.00257 0.01013 0.01364 0.01752 0.02178 0.02366 0.03111 0.03239 0.03535 0.03959 0.04351 0.04803 0.05070 0.05226 0.05473 0.05894 0.06288 0.06538 0.06979 0.07103 0.07209 0.07575 0.08095 0.08414 0.08839 0.09145 0.09450 0.09628 0.10066 0.10300 0.10382 0.10654 0.11292 0.11700 0.11822 0.12131 0.12761 0.13025 0.13177 0.13344 0.13542 0.14024 0.14160 0.14338 0.14505 0.15164 0.15316 0.15444 0.15936 0.16148 0.16531 0.16804 0.17193 0.17366 0.17545 0.17962 0.18351 0.18628 0.18737 0.19078 0.19482 0.19735 0.19959 0.20278 0.20320 0.20408 0.20681 0.20880 0.21183 0.21235 0.21494 0.21873 0.22150 0.22333 0.22687 0.22893 0.23134 0.23548 0.23656 0.23973 0.24108 0.24656 0.25007 0.25077 0.25379 0.25646 0.25784 0.26035 0.26566 0.26782 0.26832 0.27267 0.27574 0.27868 0.28194 0.28365 0.28496 0.28830 0.29661 0.29893 0.30295 0.30310 0.30381 0.30919 0.31691 0.31926 0.32467 0.32777 0.33186 0.33421 0.33670 0.34276 0.34540 0.34840 0.35087 0.35338 0.36249 0.36704 0.36986 0.37350 0.37816 0.38477 0.38896 0.39473 0.39772 0.40225 0.40907 0.41723 0.42492 0.42628 0.43063 0.43846 0.44528 0.45291 0.45472 0.45893 0.46430 0.46822 0.47616 0.48137 0.49159 0.49586 0.49762 0.50596 0.51674 0.52217 0.53139 0.53727 0.53787 0.54113 0.55104 0.55442 0.56406 0.57421 0.57592 0.57995 0.58472 0.58659 0.59321 0.59909 0.60443 0.60661 0.61261 0.61847 0.62604 0.62746 0.63161 0.63583 0.64101 0.64533 0.65315 0.65534 0.66096 0.66332 0.66744 0.67260 0.67634 0.67961 0.68523 0.68711 0.69184 0.69424 0.69720 0.69962 0.70762 0.70992 0.71409 0.71642 0.71979 0.72272 0.72439 0.72815 0.73578 0.74166 0.74596 0.74857 0.75265 0.76448 0.76675 0.77050 0.77965 0.78525 0.78728 0.79028 0.79871 0.80092 0.80617 0.81162 0.81441 0.82546 0.83984 0.84625 0.85147 0.85468 0.86064 0.87233 0.88077 0.88977 0.90482 0.90578 0.92539 0.93367 0.94086 0.94729 0.94961 0.96327 0.96699 0.98471 0.99541 1.00302 1.01068 1.02937 1.04328 1.05405 1.06584 1.07810 1.09857 1.10454 1.11323 1.11704 1.12527 1.12815 1.13628 1.13973 1.15757 1.16793 1.17679 1.18846 1.20251 1.21025 1.22759 1.23722 1.25271 1.26135 1.28754 1.29205 1.30319 1.31398 1.31698 1.33249 1.34283 1.34947 1.36525 1.37736 1.38499 1.39447 1.40151 1.40774 1.42417 1.43622 1.44343 1.44890 1.45339 1.45482 1.45948 1.46325 1.47421 1.47885 1.48389 1.48711 1.49127 1.49894 1.50758 1.50945 1.51398 1.52078 1.52794 1.53714 1.55004 1.55335 1.56637 1.57133 1.57921 1.58251 1.59600 1.60016 1.60317 1.61926 1.62112 1.62238 1.62836 1.63496 1.63630 1.64950 1.65317 1.65472 1.65931 1.66601 1.67446 1.67812 1.68643 1.69861 1.70215 1.70712 1.71181 1.71685 1.72034 1.72226 1.73119 1.73844 1.74725 1.75070 1.76144 1.77242 1.77593 1.78377 1.79022 1.80169 1.81665 1.81851 1.82058 1.83590 1.83759 1.84667 1.85274 1.86521 1.86795 1.87494 1.89009 1.89429 1.90383 1.91443 1.92140 1.93248 1.94066 1.95252 1.95959 1.96896 1.97797 1.98425 2.00243 2.00368 2.01545 2.03040 2.03691 2.05294 2.06765 2.06980 2.08525 2.08740 2.09587 2.10194 2.12039 2.12936 2.13031 2.14599 2.15641 2.16656 2.17599 2.18257 2.18878 2.19170 2.20333 2.20809 2.22181 2.23057 2.23920 2.25764 2.25897 2.28338 2.30023 2.30190 2.33492 2.34696 2.36785 2.37882 2.39178 2.39790 2.42073 2.43520 2.44523 2.45771 2.45890 2.46957 2.47734 2.48555 2.49536 2.49979 2.51072 2.51354 2.52643 2.52883 2.53363 2.53974 2.54303 2.55195 2.55397 2.56161 2.56424 2.57360 2.58521 2.59108 2.60170 2.60582 2.61332 2.62336 2.63071 2.64078 2.64587 2.65854 2.66587 2.67040 2.67171 2.67881 2.68865 2.69316 2.70761 2.72258 2.74122 2.74727 2.75541 2.75904 2.76598 2.77277 2.77751 2.79548 2.80824 2.81897 2.82143 2.82490 2.83950 2.85295 2.86215 2.87703 2.88241 2.89155 2.89393 2.90927 2.91300 2.92427 2.93940 2.94420 2.94583 2.95998 2.97132 2.98205 2.98977 3.01078 3.02117 3.03420 3.06892 3.08338 3.09569 3.10315 3.10902 3.12322 3.13189 3.14106 3.16461 3.17895 3.19162 3.20898 3.22628 3.22829 3.24115 3.25150 3.28080 3.28860 3.32016 3.33353 3.36228 3.37803 3.39026 3.46759 3.49419 3.52934 3.55267 3.59827 3.61636 3.62785 3.68296 3.68958 3.71717 3.76992 3.78067 3.78315 3.79817 3.81207 3.81575 3.82291 3.84188 3.84569 3.84853 3.85627 3.86823 3.87564 3.88906 3.94789 3.99121 4.04889 4.08244 4.12580 4.19498 4.21877 4.27008 4.28058 4.30231 4.31232 4.34098 4.44988 4.53965 4.57930 4.61720 5.08342 5.11574 5.15455 5.22917 5.32108 5.41687 5.66810 5.74385 5.91465 23.65325 23.71844 23.77519 23.82002 23.83768 23.86988 23.87954 23.88477 23.91783 23.95110 23.95732 23.96305 23.98798 23.99859 24.00543 24.00963 24.20299 24.26937 24.27421 49.94091 50.02620 50.04595 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 0.118939 -0.253598 -0.410659 0.096641 0.078572 0.153629 -0.698818 -0.288569 -0.352716 -0.535559 0.505048 -0.564148 -0.833006 -0.569436 -0.036371 0.239211 1.125313 -0.479585 -0.558221 -0.802529 0.054553 -0.500449 0.189296 0.187704 0.157559 0.155717 0.158498 0.152385 0.162117 0.160179 0.143251 0.223848 0.169708 0.166226 0.159245 0.158120 0.150525 0.156145 0.240086 0.225795 0.174441 0.188291 0.190364 0.188857 0.186480 0.160552 0.156498 0.149871 -0.00000 2.0398 -5.4707 -2.3968 6.3114 -132.5615 -138.6545 -133.2990 16.3504 -2.0926 0.7766 2.2768 -3.8162 1.5394 16.3504 -2.0926 0.7766 14.8835 -36.2666 -7.3160 62.4506 -83.5842 -22.9142 -13.7588 -2.2104 0.0926 0.8142 -9103.9545 -2565.7252 -745.0294 168.4254 164.0910 142.1791 -4.3929 -22.3297 5.5193 -2134.1630 -1605.9020 -528.7824 7.7006 -0.3512 5.9603 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-HAMILTON37 APULGAR 2024-10-08T00:00:00.000 0 Electronic spectrum CONF156 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-965.6465257 RMSD=5.548e-09 PG=C01 [X(C19H26O3)] 0 0.0270905108 0.8263351121 -0.2290988658 0 1.4052566708 -0.5081923012 -1.4134111876 0 -3.4203153879 -2.0725438802 0.8426181522 0 3.7156698725 1.3833047359 -0.4601725978 0 3.5446919601 0.4025101762 0.6587382413 0 2.3052039794 1.1491959454 0.0937661493 0 4.086779111 0.9033114282 -1.8497995762 0 4.3116330743 2.7381366914 -0.1185610129 0 3.7417623937 -1.06493784 0.4888061498 0 1.2586426632 0.39589274 -0.6137311198 0 3.1085638077 -2.0149486187 1.1901380235 0 -1.1141280565 0.1366473514 -0.8047931234 0 2.047352283 -1.7192223006 2.2160693218 0 3.4048810059 -3.4766093106 0.9848310955 0 -1.3695591816 -1.2358941203 -0.1780187434 0 -2.3436898488 0.9571394467 -0.489425917 0 -3.2873839411 0.2237851487 0.1374249068 0 -2.7931106633 -1.1479252676 0.3416414205 0 -2.4179583326 2.3798198253 -0.9137023047 0 -4.665051141 0.642392421 0.5486309353 0 -5.7082654256 0.5671617232 -0.5422567184 0 -5.5016005292 0.2517897174 -1.8191585242 0 3.804505153 0.7809702918 1.6443921127 0 1.9114361677 1.9332248196 0.7280237467 0 3.7398885471 1.6198346079 -2.6012347201 0 5.176749237 0.835347803 -1.9319857556 0 3.6627278809 -0.0686868943 -2.0919781244 0 4.0343587466 3.0629848478 0.8878505455 0 5.4047484766 2.6915320435 -0.1690025581 0 3.9738583414 3.5004006052 -0.8283747928 0 4.4770688364 -1.3714426871 -0.2510887388 0 -0.9633427577 0.0761716786 -1.8854382466 0 2.3679406212 -2.05926776 3.2086258171 0 1.1298577991 -2.271529571 1.9817406761 0 1.7995357496 -0.6592331795 2.2828088342 0 3.7255045593 -3.9447162779 1.9236409256 0 4.1851147735 -3.637613663 0.2369567393 0 2.5030021089 -4.0107518886 0.661850361 0 -0.6882046789 -1.4233859338 0.6557989114 0 -1.2686867096 -2.0620248566 -0.8836345883 0 -3.3598708923 2.8496036977 -0.6295063952 0 -1.5890975822 2.9484521891 -0.4794784454 0 -2.3080292988 2.4477478307 -2.0024058644 0 -4.6475774948 1.666072758 0.9408078935 0 -4.9928003856 0.009303658 1.381086337 0 -6.7177943887 0.8057112168 -0.2120658514 0 -6.3225884292 0.2283767865 -2.5285303735 0 -4.5164659849 0.0035759109 -2.2024006444 Gaussian 16 8-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:.0271,.8263,-.2291;1.4053,-.5082,-1.4134;-3.4203,-2.0725,.8426;3.7157,1.3833,-.4602;3.5447,.4025,.6587;2.3052,1.1492,.0938;4.0868,.9033,-1.8498;4.3116,2.7381,-.1186;3.7418,-1.0649,.4888;1.2586,.3959,-.6137;3.1086,-2.0149,1.1901;-1.1141,.1366,-.8048;2.0474,-1.7192,2.2161;3.4049,-3.4766,.9848;-1.3696,-1.2359,-.178;-2.3437,.9571,-.4894;-3.2874,.2238,.1374;-2.7931,-1.1479,.3416;-2.418,2.3798,-.9137;-4.6651,.6424,.5486;-5.7083,.5672,-.5423;-5.5016,.2518,-1.8192;3.8045,.781,1.6444;1.9114,1.9332,.728;3.7399,1.6198,-2.6012;5.1767,.8353,-1.932;3.6627,-.0687,-2.092;4.0344,3.063,.8879;5.4047,2.6915,-.169;3.9739,3.5004,-.8284;4.4771,-1.3714,-.2511;-.9633,.0762,-1.8854;2.3679,-2.0593,3.2086;1.1299,-2.2715,1.9817;1.7995,-.6592,2.2828;3.7255,-3.9447,1.9236;4.1851,-3.6376,.237;2.503,-4.0108,.6619;-.6882,-1.4234,.6558;-1.2687,-2.062,-.8836;-3.3599,2.8496,-.6295;-1.5891,2.9485,-.4795;-2.308,2.4477,-2.0024;-4.6476,1.6661,.9408;-4.9928,.0093,1.3811;-6.7178,.8057,-.2121;-6.3226,.2284,-2.5285;-4.5165,.0036,-2.2024; 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 CONF156 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 1825.9903626513 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 -0.0513575692 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 2.254529 0.000000 4.629977 5.551847 0.000000 3.737543 3.134395 8.035076 0.000000 3.652588 3.114541 7.393986 1.497716 0.000000 2.323420 2.414213 6.612258 1.533320 1.553404 0.000000 4.371918 3.061591 8.512420 1.516304 2.614847 2.648002 0.000000 4.693028 4.545582 9.156939 1.519026 2.578283 2.568185 2.532653 0.000000 4.229786 3.063928 7.241258 2.625859 1.490341 2.668735 3.076056 3.893202 0.000000 1.360126 1.215876 5.486965 2.652460 2.616342 1.470819 3.127890 3.879697 3.084720 0.000000 4.425224 3.456883 6.538375 3.826255 2.513305 3.443723 4.326011 5.074632 1.339898 3.533880 0.000000 1.452402 2.670868 3.593465 4.999987 4.890523 3.677566 5.359967 6.056199 5.166902 2.394526 5.142008 0.000000 4.066960 3.879692 5.648592 4.423938 3.028045 3.577497 5.250546 5.517746 2.506502 3.619882 1.505377 4.750244 0.000000 5.603430 4.308313 6.969572 5.079704 3.895311 4.837495 5.261542 6.376734 2.485093 4.707230 1.505459 6.056387 2.539142 0.000000 2.491190 3.123355 2.438705 5.727073 5.247323 4.389351 6.094479 6.933426 5.157469 3.124103 4.746827 1.530347 4.200065 5.400769 0.000000 2.388615 4.129836 3.480294 6.074398 6.024860 4.689266 6.573009 6.899479 6.486791 3.647910 6.432831 1.511452 5.810668 7.407944 2.419773 0.000000 3.388679 4.996174 2.405846 7.123508 6.854267 5.668803 7.667405 8.008280 7.154941 4.610880 6.857717 2.370318 6.046110 7.693986 2.430683 1.349559 0.000000 3.489553 4.595188 1.224452 7.029527 6.532392 5.597412 7.506189 8.111143 6.537057 4.439912 6.025067 2.404875 5.222063 6.652185 1.517987 2.307369 1.472277 0.000000 2.976619 4.817395 4.890084 6.230580 6.475764 4.983743 6.735575 6.785871 7.195523 4.188478 7.367671 2.596855 6.821775 8.473939 3.835852 1.486454 2.551324 3.763192 0.000000 4.759716 6.482445 3.001112 8.473672 8.213985 7.003443 9.078275 9.242194 8.578640 6.041688 8.240272 3.833613 7.308484 9.070846 3.862156 2.562293 1.497428 2.598508 3.194761 0.000000 5.749743 7.246895 3.757744 9.459566 9.332027 8.059713 9.887647 10.261141 9.645199 6.969379 9.349062 4.621728 8.543156 10.086304 4.712542 3.387513 2.537822 3.495844 3.774894 1.511288 0.000000 5.781420 6.960379 4.101138 9.385374 9.380730 8.087695 9.610538 10.265160 9.617704 6.868385 9.398346 4.504676 8.783771 10.054289 4.688316 3.498301 2.954955 3.736867 3.854505 2.541419 1.331408 0.000000 4.216739 4.094935 7.809188 2.190865 1.087313 2.188135 3.507709 2.682477 2.178691 3.424737 2.916821 5.532324 3.108917 4.326858 5.844644 6.510339 7.271609 6.996166 6.915144 8.541269 9.763194 9.943833 0.000000 2.385801 3.286712 6.669849 2.229233 2.239512 1.082607 3.526757 2.669370 3.520838 2.142390 4.151474 3.838132 3.946280 5.618063 4.650716 4.532221 5.504427 5.636980 4.651706 6.704373 7.844718 8.016762 2.398152 0.000000 4.476778 3.374897 8.761410 2.154224 3.485313 3.089150 1.094712 2.782294 4.093453 3.406580 5.290059 5.384099 6.100852 6.240660 6.335110 6.473703 7.670187 7.681217 6.429963 9.028846 9.727031 9.374877 4.328189 3.811222 0.000000 5.423918 4.037100 9.490194 2.145051 3.092379 3.528164 1.095175 2.767226 3.395660 4.157220 4.706298 6.429143 5.790105 5.499119 7.086649 7.658513 8.734874 8.521820 7.816769 10.151440 10.976649 10.694878 3.830991 4.352385 1.768582 0.000000 4.182014 2.397873 7.924443 2.184919 2.793278 2.846680 1.087773 3.491950 2.767528 2.860188 3.855816 4.951501 4.888044 4.598606 5.509040 6.300599 7.304781 6.983202 6.660200 8.765293 9.519530 9.173988 3.834381 3.876478 1.765333 1.770632 0.000000 4.723174 4.996127 9.052506 2.177167 2.714846 2.698728 3.487358 1.093285 4.157475 4.131916 5.170482 6.159173 5.346201 6.570536 6.987043 6.856455 7.888733 8.040177 6.733848 9.036264 10.158399 10.303652 2.415115 2.410125 3.787230 3.770796 4.338762 0.000000 5.692256 5.270932 10.079759 2.156206 3.063427 3.472035 2.785652 1.095271 4.160445 4.760035 5.410239 7.030463 6.034520 6.586104 7.830453 7.946640 9.040843 9.066812 7.864254 10.301206 11.320395 11.297071 3.082114 3.685501 3.136247 2.570119 3.788308 1.769995 0.000000 4.804866 4.796749 9.408705 2.164331 3.463035 3.027031 2.793015 1.094977 4.757221 4.129944 5.936515 6.099426 6.342281 7.231191 7.169907 6.818686 8.024626 8.292632 6.489862 9.202995 10.120735 10.065756 3.679478 3.021920 2.595053 3.125286 3.798932 1.772124 1.771013 0.000000 4.963166 3.395913 8.003525 2.865672 2.200914 3.345077 2.807616 4.115043 1.087228 3.689614 2.089029 5.817423 3.480135 2.666235 5.848656 7.211231 7.936147 7.297726 7.877336 9.395395 10.372271 10.230717 2.945857 4.296738 3.874837 2.860925 2.397748 4.599709 4.168344 4.931667 0.000000 2.070547 2.484865 4.253938 5.062918 5.186686 3.968883 5.117535 6.167113 5.392326 2.580054 5.514742 1.092789 5.395377 6.319975 2.191303 2.151816 3.084628 3.131509 2.892572 4.466312 4.955754 4.542138 5.974012 4.306180 5.001564 6.187022 4.632944 6.448969 7.094987 6.100712 5.862147 0.000000 5.062039 4.969489 6.253165 5.208432 3.734571 4.472195 6.108924 6.153308 3.205230 4.676405 2.150530 5.749294 1.097076 2.833613 5.110402 6.706248 6.828419 5.973826 7.720357 7.989838 9.283984 9.620254 3.546477 4.722476 7.012312 6.534072 5.808209 5.865187 6.572722 7.055938 4.109884 6.450352 0.000000 3.962407 3.835656 4.694813 5.099723 3.838261 4.080104 5.788238 6.295373 3.241414 3.724003 2.146566 4.312721 1.096243 2.760757 3.461818 5.347570 5.398159 4.397965 6.527300 6.642719 7.822318 8.049237 4.072505 4.456751 6.554284 6.430184 5.278554 6.171691 6.894372 7.021415 4.123046 4.984803 1.755890 0.000000 3.414404 3.720257 5.596288 3.920138 2.609689 2.884098 4.975086 4.859972 2.674937 3.129824 2.178405 4.319276 1.090616 3.492777 4.053563 5.240636 5.590988 5.009925 6.102523 6.818540 8.114932 8.423936 2.549836 3.025015 5.728263 5.603913 4.791554 4.560181 5.498779 5.631136 3.754606 5.054562 1.772094 1.771612 0.000000 6.409016 5.322515 7.465680 5.836992 4.531120 5.595859 6.154084 7.012465 3.217474 5.600406 2.154680 6.893760 2.802594 1.096945 6.141202 8.166162 8.351501 7.267538 9.262419 9.660934 10.744008 10.805493 4.734589 6.266621 7.172094 6.310387 5.581464 7.090566 7.158129 7.941350 3.451961 7.256853 2.655011 3.088739 3.825279 0.000000 6.118269 4.499400 7.788378 5.090775 4.112255 5.144717 4.998422 6.386908 2.622718 5.055401 2.168077 6.588798 3.488143 1.092705 6.065877 8.016525 8.411810 7.409800 9.007447 9.835702 10.778046 10.638962 4.652915 6.036970 5.991187 5.069027 4.293491 6.733826 6.458359 7.220167 2.336441 6.693532 3.824149 3.774262 4.329809 1.774953 0.000000 5.506482 4.216596 6.234983 5.641396 4.534535 5.194892 5.741494 7.030483 3.200358 4.753320 2.151517 5.695226 2.806122 1.096818 4.837556 7.035325 7.192697 6.028857 8.218128 8.546669 9.477979 9.402039 5.061610 5.973708 6.624282 6.112413 4.946556 7.241124 7.350582 7.797538 3.419993 5.933563 3.211323 2.579250 3.788806 1.758121 1.774618 0.000000 2.521098 3.082497 2.814380 5.340133 4.609915 3.986797 5.872990 6.551052 4.447581 2.951558 3.879551 2.179092 3.163105 4.591006 1.093000 3.117543 3.120516 2.145974 4.463155 4.482659 5.531603 5.665722 5.101073 4.246196 6.283110 6.796778 5.321288 6.517973 7.398441 6.941273 5.244539 2.963488 4.032530 2.404750 3.069193 5.238832 5.369122 4.108321 0.000000 3.232658 3.137679 2.758544 6.073996 5.623296 4.903055 6.197395 7.400463 5.289837 3.535760 4.843869 2.205508 4.552120 5.228236 1.091128 3.228991 3.215996 2.158877 4.588215 4.571712 5.170979 4.913909 6.341200 5.354684 6.449191 7.144050 5.454571 7.584601 8.224460 7.643815 5.821574 2.380909 5.474638 3.742631 4.626897 6.030528 5.786377 4.517931 1.764844 0.000000 3.965533 5.881814 5.137932 7.227862 7.437797 5.958824 7.792930 7.689308 8.185808 5.229877 8.295518 3.526219 7.629517 9.401538 4.566889 2.152596 2.736487 4.152660 1.090258 2.821929 3.275990 3.570842 7.796034 5.519902 7.470383 8.867218 7.744168 7.551327 8.778132 7.365234 8.909436 3.874614 8.463811 7.293989 6.885709 10.143170 9.988071 9.116214 5.200793 5.344317 0.000000 2.679204 4.667631 5.505606 5.530879 5.842359 4.327992 6.186757 5.915498 6.742621 3.826644 7.034983 2.870135 6.502071 8.268340 4.200932 2.129515 3.269336 4.347895 1.094944 3.979499 4.758364 4.937045 6.188680 3.839594 5.887713 7.235445 6.267771 5.788434 7.005447 5.601148 7.450639 3.258571 7.371399 6.379540 5.668197 9.029715 8.788121 8.153431 4.605804 5.036952 1.779864 0.000000 3.350579 4.782571 5.455674 6.308445 6.746779 5.230879 6.580437 6.888623 7.425973 4.342773 7.710219 2.863715 7.357209 8.755509 4.216436 2.124216 3.237904 4.319575 1.096346 3.914416 4.150933 3.880040 7.310291 5.052115 6.133624 7.656808 6.480001 6.996998 7.931440 6.476769 7.980657 2.728779 8.326628 7.068527 6.699887 9.627096 9.176453 8.482718 4.967450 4.761295 1.775588 1.756951 0.000000 4.891458 6.848838 3.936123 8.484492 8.293940 7.023234 9.200993 9.085100 8.834237 6.238059 8.588935 4.227473 7.609770 9.554643 4.518693 2.802865 2.139099 3.422957 2.986611 1.096371 2.128884 3.216670 8.527376 6.567900 9.104822 10.269394 9.014896 8.793758 10.165260 8.990213 9.690526 4.908059 8.260669 7.068735 6.983787 10.126965 10.326710 9.134273 5.030171 5.352028 2.350494 3.607771 3.840183 0.000000 5.334748 7.000868 2.663972 9.006418 8.577014 7.497827 9.678669 9.811623 8.845493 6.573377 8.352614 4.454030 7.297174 9.101080 4.136327 3.378609 2.121589 2.694116 4.185118 1.095994 2.126580 3.249499 8.835009 7.196975 9.732037 10.727466 9.326652 9.542424 10.849246 9.872712 9.708186 5.187599 7.861259 6.561244 6.884466 9.588403 9.941990 8.536112 4.594365 4.825804 3.843988 4.866774 4.960043 1.748687 0.000000 6.744938 8.315860 4.502230 10.452385 10.307255 9.034712 10.928427 11.197825 10.648609 7.997052 10.318896 5.674509 9.439223 11.056192 5.724765 4.385504 3.496927 4.418872 4.632354 2.195242 1.088614 2.090144 10.684841 8.753209 10.757976 12.018285 10.585551 11.041463 12.268424 11.043216 11.404669 6.037062 10.122244 8.710215 8.995297 11.670060 11.782113 10.439595 6.486757 6.194166 3.953151 5.564744 5.034643 2.520940 2.479517 0.000000 6.779628 7.842552 5.008200 10.314000 10.370739 9.064389 10.453284 11.188991 10.586224 7.821099 10.383046 5.487052 9.816327 10.986095 5.674636 4.529975 4.039778 4.752821 4.741573 3.519625 2.106526 1.085255 10.967072 9.017251 10.158488 11.530787 9.999268 11.268230 12.213310 10.936795 11.152523 5.399838 10.661781 9.062617 9.481864 11.755880 11.532807 10.297562 6.679413 5.787361 4.388031 5.831240 4.617261 4.112048 4.135388 2.419816 0.000000 5.021430 5.995933 3.844991 8.526844 8.563150 7.288347 8.657348 9.473940 8.751151 6.002471 8.586317 3.680614 8.097816 9.220514 3.941755 2.926520 2.652154 3.281472 3.422136 2.828133 2.119928 1.085806 9.200039 7.323173 8.422515 9.732594 8.180258 9.593031 10.478087 9.284468 9.304943 3.567971 8.996087 7.386753 7.774850 10.027129 9.743009 8.578560 4.986092 4.068651 3.451316 4.495580 3.300177 3.558208 3.615011 3.074199 1.849047 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:-.0924,-.8099,-.2279;1.257,-.1797,1.4648;-3.3398,2.489,-.1385;3.5469,-1.6503,-.0903;3.4909,-.2847,-.7029;2.1872,-1.1165,-.5565;3.8438,-1.8155,1.3875;4.1086,-2.7766,-.9407;3.7358,.9636,.0734;1.1273,-.6587,.3548;3.19,2.1579,-.1933;-1.2404,-.349,.5331;2.1883,2.3841,-1.2941;3.5312,3.3799,.6171;-1.3974,1.1733,.5272;-2.4786,-.883,-.1497;-3.3477,.1039,-.453;-2.7855,1.4014,-.0432;-2.6388,-2.3453,-.3628;-4.7108,-.0161,-1.0612;-5.8205,-.333,-.0854;-5.6868,-.5902,1.2141;3.8002,-.2359,-1.7441;1.805,-1.5392,-1.477;3.4187,-2.7552,1.7546;4.9277,-1.8586,1.538;3.4444,-1.0065,1.9951;3.8861,-2.6357,-2.0018;5.1969,-2.8261,-.8278;3.6935,-3.7411,-.6301;4.432,.887,.905;-1.1596,-.7524,1.5455;2.588,3.0839,-2.0385;1.2805,2.8475,-.8905;1.9026,1.466,-1.8086;3.9325,4.1736,-.0251;4.2658,3.165,1.397;2.6323,3.789,1.0941;-.6549,1.6453,-.1213;-1.3102,1.6235,1.5172;-3.578,-2.5927,-.8582;-1.8067,-2.7348,-.9584;-2.6046,-2.866,.6014;-4.709,-.7834,-1.8443;-4.9563,.9252,-1.5661;-6.8147,-.347,-.5287;-6.5516,-.8102,1.8317;-4.7201,-.5878,1.7086; 0.4917271 0.1436475 0.1218624 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= 1.18D-06 NBF= 1092 NBsUse= 1090 1.00D-06 EigRej= 6.07D-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= 1196 1196 1196 1196 1196 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -965.653278765755 -965.709220779849 -0.055942014093 -965.709260181513 -0.000039401664 -965.709430641414 -0.000170459901 -965.709452653719 -0.000022012305 -965.709456306119 -0.000003652400 -965.709456455567 -0.000000149448 -965.709456490657 -0.000000035091 -965.709456491484 -0.000000000827 -965.709456491777 -0.000000000293 -965.709456491553 0.000000000224 -965.709456492 11 9.610771016109e+02 -5.899609754949e+03 2.146883229035e+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. PT24672.500S Tue Oct 8 02:33:13 2024 -19.17067 -19.11645 -19.11385 -10.30426 -10.26074 -10.24060 -10.20583 -10.19541 -10.18576 -10.18549 -10.18411 -10.17767 -10.17726 -10.17449 -10.17440 -10.16883 -10.15891 -10.15735 -10.15699 -10.15481 -10.15418 -10.15255 -1.10744 -1.04365 -1.02183 -0.88165 -0.86918 -0.80509 -0.80091 -0.75913 -0.74485 -0.73014 -0.70682 -0.69051 -0.68653 -0.67731 -0.67182 -0.63089 -0.57734 -0.56466 -0.55887 -0.54858 -0.52495 -0.51051 -0.50000 -0.49021 -0.47797 -0.46891 -0.46715 -0.46191 -0.45814 -0.44851 -0.44185 -0.43322 -0.42779 -0.42256 -0.41970 -0.41706 -0.40807 -0.40131 -0.39425 -0.39130 -0.38935 -0.38311 -0.37976 -0.37949 -0.37578 -0.36643 -0.36465 -0.36139 -0.35062 -0.34980 -0.34173 -0.32977 -0.31758 -0.29767 -0.28851 -0.28427 -0.26812 -0.26571 -0.25914 -0.23317 -0.05892 -0.01754 0.00007 0.00163 0.00893 0.01281 0.01680 0.02076 0.02270 0.03011 0.03117 0.03448 0.03861 0.04170 0.04661 0.04971 0.05114 0.05364 0.05804 0.06129 0.06403 0.06847 0.06980 0.07058 0.07436 0.07920 0.08282 0.08645 0.08960 0.09287 0.09424 0.09861 0.10113 0.10151 0.10472 0.11068 0.11536 0.11647 0.11911 0.12545 0.12816 0.12948 0.13121 0.13323 0.13744 0.14008 0.14147 0.14363 0.14861 0.15037 0.15222 0.15697 0.15931 0.16172 0.16414 0.16772 0.17049 0.17276 0.17607 0.18010 0.18228 0.18391 0.18658 0.18957 0.19165 0.19542 0.19606 0.19831 0.19998 0.20184 0.20229 0.20498 0.20740 0.21199 0.21311 0.21574 0.21700 0.22001 0.22371 0.22707 0.22924 0.22982 0.23224 0.23507 0.24041 0.24328 0.24409 0.24637 0.24816 0.24906 0.25229 0.25867 0.25990 0.26007 0.26578 0.26724 0.26834 0.26975 0.27541 0.27751 0.28046 0.28557 0.28805 0.28978 0.29307 0.29569 0.29775 0.30614 0.30961 0.31090 0.31469 0.31767 0.31895 0.32233 0.32837 0.33019 0.33230 0.33350 0.33670 0.34441 0.34512 0.34958 0.35400 0.35486 0.35594 0.35945 0.36014 0.36929 0.37510 0.37596 0.38056 0.38311 0.38646 0.39092 0.39263 0.39752 0.39960 0.40094 0.40432 0.40776 0.41169 0.41302 0.41811 0.42244 0.42493 0.42736 0.42870 0.43532 0.44146 0.44293 0.44510 0.44989 0.45533 0.45704 0.45886 0.46120 0.46434 0.46680 0.47229 0.47444 0.48032 0.48362 0.49030 0.49283 0.49861 0.50183 0.50929 0.51278 0.51699 0.52047 0.52110 0.52427 0.53133 0.53416 0.53632 0.54200 0.54519 0.54999 0.55108 0.55772 0.56034 0.56409 0.56587 0.57115 0.57484 0.57636 0.57815 0.58030 0.58919 0.59128 0.59499 0.59629 0.59767 0.60199 0.60575 0.60777 0.61236 0.61481 0.61782 0.61860 0.62168 0.62616 0.62864 0.63447 0.63806 0.63939 0.64189 0.64521 0.65336 0.65662 0.65925 0.66253 0.66621 0.66710 0.67258 0.67783 0.68030 0.68836 0.68912 0.69145 0.69684 0.69769 0.70303 0.70817 0.71339 0.71684 0.71781 0.72439 0.72727 0.73126 0.73679 0.74036 0.74348 0.74624 0.74959 0.75712 0.75763 0.76168 0.76972 0.77059 0.77605 0.78052 0.78497 0.79034 0.79268 0.79642 0.80114 0.80824 0.81097 0.81213 0.82369 0.82912 0.83312 0.83585 0.84138 0.84985 0.85051 0.85326 0.85883 0.86373 0.86660 0.87443 0.87839 0.88332 0.88669 0.89686 0.90397 0.90880 0.91112 0.91319 0.92119 0.92809 0.92881 0.93443 0.94243 0.94520 0.95532 0.95838 0.96077 0.97572 0.97847 0.98632 0.99747 1.00026 1.00163 1.00895 1.01472 1.02236 1.02975 1.03209 1.03427 1.03874 1.04700 1.05023 1.05532 1.05836 1.06218 1.06538 1.06792 1.07253 1.08323 1.09109 1.09383 1.09751 1.10134 1.10433 1.11074 1.11768 1.12052 1.12476 1.12697 1.12948 1.13410 1.13723 1.13968 1.14314 1.15097 1.15315 1.15856 1.16050 1.16629 1.17093 1.17617 1.18030 1.18296 1.18883 1.18957 1.19324 1.19787 1.20083 1.20563 1.20702 1.21045 1.21897 1.22451 1.22939 1.23192 1.23937 1.24139 1.25180 1.25547 1.25633 1.26559 1.26912 1.27286 1.27522 1.28049 1.28501 1.28979 1.29583 1.29806 1.30251 1.30597 1.31164 1.31262 1.31810 1.32361 1.32786 1.33279 1.33762 1.34328 1.34643 1.35044 1.35498 1.35737 1.36305 1.36493 1.37187 1.37471 1.37646 1.38328 1.38653 1.38947 1.39737 1.40073 1.40368 1.41486 1.42321 1.42573 1.42848 1.43461 1.43657 1.44296 1.44421 1.44616 1.44990 1.45700 1.45897 1.46723 1.47034 1.47577 1.48008 1.48369 1.48945 1.49527 1.49847 1.50649 1.50835 1.50962 1.52076 1.52187 1.53089 1.53691 1.54009 1.54118 1.54799 1.55127 1.55700 1.55907 1.56416 1.57984 1.58210 1.58651 1.58938 1.59090 1.59733 1.60495 1.60778 1.62277 1.62778 1.63071 1.63811 1.65238 1.65774 1.66022 1.66557 1.66975 1.67516 1.68067 1.69221 1.69656 1.70113 1.70765 1.71402 1.71773 1.72813 1.73837 1.74140 1.75423 1.75525 1.76662 1.78401 1.78717 1.79065 1.80022 1.80535 1.81419 1.82415 1.82563 1.84305 1.84759 1.84842 1.85917 1.86720 1.87920 1.88614 1.89034 1.89923 1.91402 1.91640 1.92063 1.92458 1.94321 1.94774 1.95684 1.96261 1.97611 1.98968 1.99912 2.00531 2.01393 2.02345 2.02766 2.03962 2.04182 2.05336 2.06120 2.06474 2.06716 2.07860 2.09267 2.10402 2.10662 2.11221 2.12022 2.13756 2.14079 2.14951 2.15539 2.16188 2.17884 2.18032 2.19177 2.19304 2.20193 2.21349 2.22307 2.23051 2.23372 2.24282 2.25322 2.25701 2.26405 2.26567 2.28158 2.30008 2.30598 2.31546 2.32165 2.32479 2.34087 2.35244 2.36246 2.36726 2.37915 2.39481 2.40130 2.41312 2.42866 2.43854 2.46084 2.46943 2.48872 2.49330 2.50896 2.51184 2.52824 2.53073 2.54963 2.56927 2.58931 2.60387 2.62169 2.62992 2.64487 2.67127 2.67643 2.70342 2.71822 2.72726 2.73678 2.75930 2.77452 2.78552 2.78711 2.79675 2.81834 2.82642 2.83153 2.84553 2.86054 2.86486 2.86970 2.87106 2.87498 2.88558 2.90344 2.90450 2.90977 2.91507 2.92495 2.92832 2.93069 2.93130 2.94135 2.94367 2.95180 2.95311 2.96179 2.97173 2.97594 2.98224 2.98717 2.98972 2.99593 3.00177 3.00833 3.01105 3.01783 3.02187 3.03116 3.03510 3.04432 3.04604 3.05070 3.05823 3.06560 3.06983 3.08014 3.08110 3.08871 3.08945 3.10047 3.10786 3.11781 3.12939 3.13436 3.14030 3.14568 3.15600 3.16131 3.17353 3.18070 3.18779 3.19358 3.20759 3.21081 3.21611 3.22037 3.22623 3.23364 3.23573 3.24490 3.25316 3.26047 3.26493 3.26804 3.26893 3.27286 3.28356 3.29136 3.29330 3.29802 3.30324 3.30731 3.31137 3.32171 3.32862 3.33979 3.34036 3.34801 3.36628 3.36904 3.37401 3.37432 3.38378 3.38794 3.39281 3.39700 3.40537 3.41201 3.41489 3.42095 3.43583 3.45108 3.46334 3.46900 3.47367 3.47939 3.48833 3.49419 3.51560 3.51911 3.52738 3.53349 3.54299 3.55236 3.56255 3.56433 3.57452 3.58392 3.58848 3.59658 3.61072 3.62271 3.63001 3.64417 3.65208 3.65442 3.66497 3.67803 3.68273 3.68994 3.69533 3.70992 3.71968 3.72254 3.72722 3.73701 3.74278 3.74775 3.75661 3.77041 3.79100 3.79226 3.81042 3.81437 3.82930 3.84129 3.84221 3.85726 3.86027 3.87147 3.87732 3.89069 3.89500 3.90724 3.91869 3.93882 3.94339 3.95991 3.96627 3.97551 3.98161 3.98542 3.99917 4.01018 4.01738 4.02772 4.04329 4.06388 4.06774 4.09222 4.09466 4.10879 4.11547 4.12739 4.14325 4.14549 4.16268 4.16837 4.17359 4.18839 4.19224 4.22680 4.24282 4.25211 4.26435 4.27458 4.28328 4.28867 4.30640 4.31437 4.31791 4.32443 4.33084 4.33161 4.34580 4.34912 4.36040 4.36650 4.37148 4.37917 4.38571 4.38946 4.39290 4.40031 4.40517 4.40814 4.40975 4.41085 4.41733 4.42662 4.42706 4.44647 4.45688 4.45861 4.45926 4.46870 4.47491 4.47964 4.49399 4.50179 4.50817 4.51561 4.52320 4.53428 4.54881 4.55274 4.55707 4.55992 4.56338 4.56893 4.58458 4.58670 4.59486 4.60821 4.61461 4.62127 4.63342 4.63673 4.64940 4.66248 4.67037 4.68252 4.68761 4.69148 4.71409 4.71825 4.73000 4.73239 4.74584 4.76292 4.77420 4.78465 4.80781 4.81554 4.82239 4.83022 4.84545 4.85409 4.86012 4.86717 4.90445 4.92839 4.96760 4.98336 5.00553 5.01203 5.03255 5.06890 5.10822 5.11917 5.12866 5.14353 5.18378 5.22979 5.24595 5.28081 5.34485 5.36824 5.38009 5.40407 5.41970 5.44105 5.47635 5.49167 5.50480 5.51083 5.54153 5.55688 5.55725 5.57393 5.57598 5.59785 5.61929 5.61968 5.63755 5.65018 5.69079 5.69738 5.73466 5.74230 5.74593 5.75653 5.76484 5.77095 5.77814 5.79704 5.79819 5.80735 5.81619 5.82542 5.83113 5.84037 5.84892 5.86502 5.87101 5.87739 5.89759 5.91409 5.98796 6.01303 6.03799 6.10386 6.12830 6.16813 6.18794 6.31031 6.36684 6.44821 6.61192 6.64281 6.70017 6.95712 7.08888 7.11145 7.13778 7.17202 7.17673 7.19076 7.20149 7.20993 7.22670 7.23341 7.25029 7.25965 7.27351 7.28301 7.28906 7.30094 7.31156 7.31982 7.33216 7.33896 7.36095 7.37472 7.38366 7.40054 7.41540 7.42109 7.43617 7.44669 7.46278 7.46991 7.48507 7.49511 7.50284 7.51826 7.57766 7.58927 7.61175 7.61682 7.62427 7.64175 7.65107 7.67565 7.68809 7.69315 7.70040 7.71858 7.73382 7.75733 7.78612 7.79132 7.79567 7.81280 7.82899 7.83577 7.88076 7.88576 7.92903 7.93335 7.93814 7.96066 7.99422 8.03478 8.04133 8.04922 8.06856 8.07920 8.08187 8.10176 8.10938 8.12778 8.13023 8.13400 8.13949 8.15308 8.18380 8.20747 8.21783 8.23906 8.28460 8.31889 8.33754 8.40263 8.41523 8.43800 8.45339 8.49154 8.55693 8.62288 8.63563 8.67229 8.72189 8.74319 8.76435 8.87417 9.05121 9.32451 14.40853 14.44159 14.46429 14.47418 14.48074 14.50827 14.61066 14.67545 14.71053 14.81168 14.81889 14.99350 15.04825 15.09132 15.24935 24.15104 24.22297 24.24392 24.34378 24.45189 24.45440 24.45593 24.53112 24.53918 24.56790 24.57649 24.65803 24.67616 24.77399 25.11506 25.17955 25.67575 25.74731 25.77215 50.26808 50.42686 50.52038 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 -0.491853 -0.749705 -0.881999 0.263096 0.309463 -0.283697 -0.597826 -0.321073 -0.627074 0.404827 0.358255 0.338929 -0.651250 -0.528213 -0.137537 0.416314 0.591072 -0.137623 -0.501374 -0.350964 -0.226882 -0.485456 0.143607 0.142099 0.148242 0.150263 0.177977 0.150591 0.155138 0.152971 0.139264 0.158389 0.162659 0.177513 0.166062 0.166292 0.139337 0.162919 0.272798 0.178837 0.154741 0.181266 0.179605 0.171550 0.163433 0.146717 0.167116 0.181182 -0.00000 1.9974 -5.4724 -2.4446 6.3176 -132.4176 -138.5137 -133.1059 16.2729 -2.0629 0.7852 2.2615 -3.8346 1.5732 16.2729 -2.0629 0.7852 15.2372 -36.0014 -7.2926 61.0517 -82.2695 -23.2761 -14.1538 -2.0809 0.0589 0.6085 -9106.9939 -2565.2568 -744.5998 165.5776 162.3758 140.0753 -5.3875 -21.1753 5.5695 -2132.2970 -1605.7677 -529.1267 6.7325 -0.3865 5.9703 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-HAMILTON37 APULGAR 2024-10-08T00:00:00.000 0 Single Point CONF156 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-965.7094565 RMSD=4.713e-09 Dipole=0.8810417,2.323952,0.0313974 Quadrupole=-0.0386181,-0.8558789,0.8944969,-10.5361488,6.5240156,0.9421944 PG=C01 [X(C19H26O3)] 0 0.0270905108 0.8263351121 -0.2290988658 0 1.4052566708 -0.5081923012 -1.4134111876 0 -3.4203153879 -2.0725438802 0.8426181522 0 3.7156698725 1.3833047359 -0.4601725978 0 3.5446919601 0.4025101762 0.6587382413 0 2.3052039794 1.1491959454 0.0937661493 0 4.086779111 0.9033114282 -1.8497995762 0 4.3116330743 2.7381366914 -0.1185610129 0 3.7417623937 -1.06493784 0.4888061498 0 1.2586426632 0.39589274 -0.6137311198 0 3.1085638077 -2.0149486187 1.1901380235 0 -1.1141280565 0.1366473514 -0.8047931234 0 2.047352283 -1.7192223006 2.2160693218 0 3.4048810059 -3.4766093106 0.9848310955 0 -1.3695591816 -1.2358941203 -0.1780187434 0 -2.3436898488 0.9571394467 -0.489425917 0 -3.2873839411 0.2237851487 0.1374249068 0 -2.7931106633 -1.1479252676 0.3416414205 0 -2.4179583326 2.3798198253 -0.9137023047 0 -4.665051141 0.642392421 0.5486309353 0 -5.7082654256 0.5671617232 -0.5422567184 0 -5.5016005292 0.2517897174 -1.8191585242 0 3.804505153 0.7809702918 1.6443921127 0 1.9114361677 1.9332248196 0.7280237467 0 3.7398885471 1.6198346079 -2.6012347201 0 5.176749237 0.835347803 -1.9319857556 0 3.6627278809 -0.0686868943 -2.0919781244 0 4.0343587466 3.0629848478 0.8878505455 0 5.4047484766 2.6915320435 -0.1690025581 0 3.9738583414 3.5004006052 -0.8283747928 0 4.4770688364 -1.3714426871 -0.2510887388 0 -0.9633427577 0.0761716786 -1.8854382466 0 2.3679406212 -2.05926776 3.2086258171 0 1.1298577991 -2.271529571 1.9817406761 0 1.7995357496 -0.6592331795 2.2828088342 0 3.7255045593 -3.9447162779 1.9236409256 0 4.1851147735 -3.637613663 0.2369567393 0 2.5030021089 -4.0107518886 0.661850361 0 -0.6882046789 -1.4233859338 0.6557989114 0 -1.2686867096 -2.0620248566 -0.8836345883 0 -3.3598708923 2.8496036977 -0.6295063952 0 -1.5890975822 2.9484521891 -0.4794784454 0 -2.3080292988 2.4477478307 -2.0024058644 0 -4.6475774948 1.666072758 0.9408078935 0 -4.9928003856 0.009303658 1.381086337 0 -6.7177943887 0.8057112168 -0.2120658514 0 -6.3225884292 0.2283767865 -2.5285303735 0 -4.5164659849 0.0035759109 -2.2024006444