Gaussian 16 GINC-NODO01 BPR coments ES64L-G16RevC.02 23-Jul-2024 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 46 46 99 100 476 (5D, 7F) def2SVP 132 132 C1[X(C20H20BIN3O)] C1[X(C20H20BIN3O)] UwB97XD def2SVP FOpt #p wB97xD/Def2SVP opt freq SCF=(XQC) gfprint gfinput 435.94896999999986 0 2 AuxInfo=1/0/N:10,6,8,20,27,19,28,21,26,4,5,16,15,1,17,18,3,22,29,14,2;34,38,42,33,46/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(15,16)(18,19);(1,2,3)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,18.2,19.2,21.1;/rA:46nC3O1BC3C3C3HC3HC3HHHNC3C3C3C3C3C3C3N2HHHC3C3C3N2HHHCCHHHCHHHCHHHI/rB:s1;;;;s4;s4;s5;s5;s6s8;s6;s8;s10;s3s4s5;s1;s1;s3s16;s3s15;s16;s19;s20;s17s21;s19;s20;s21;;s26;s15s27;s18s26;s28;s26;s27;;s33;s34;s34;s34;s33;s38;s38;s38;s33;s42;s42;s42;s33;/rC:-3.4667,.0008,-.132;-4.5859,-.2818,.2777;-.6959,.6724,-1.0849;1.406,.1456,-2.3622;1.2871,2.2103,-1.2688;2.6672,.4448,-2.8373;.9009,-.8031,-2.5594;2.5471,2.5472,-1.7209;.6774,2.8695,-.646;3.2661,1.6632,-2.5237;3.1763,-.2974,-3.4532;2.9579,3.5152,-1.4316;4.2631,1.9144,-2.8897;.6947,1.017,-1.5825;-2.8639,1.3217,.1562;-2.669,-.9807,-.8998;-1.3539,-.7187,-1.3689;-1.5551,1.688,-.2596;-3.2567,-2.2315,-1.1235;-2.5484,-3.2131,-1.7909;-1.2578,-2.8873,-2.2241;-.6962,-1.7098,-2.0302;-4.2686,-2.3954,-.7473;-2.9696,-4.2014,-1.9816;-.655,-3.63,-2.7607;-1.8225,3.7442,.8121;-3.1206,3.453,1.2464;-3.6375,2.2165,.9057;-1.0842,2.913,.1007;-4.6381,1.8991,1.2064;-1.3638,4.7088,1.0607;-3.6908,4.177,1.8303;1.5539,-1.1246,3.5037;.5669,-1.8693,4.4219;-.2071,-1.1987,4.7319;.1351,-2.6909,3.8896;1.0871,-2.2356,5.2822;2.6695,-2.089,3.0599;2.2391,-2.912,2.5285;3.3551,-1.5717,2.4216;3.1896,-2.4534,3.9211;2.1734,.0595,4.269;2.8593,.5767,3.6311;1.3983,.7297,4.5772;2.693,-.3051,5.1304;.5337,-.4089,1.8135; /usr/local/CompChem/Gaussian/g16/g16 Output=17_adduct_tBuI.log chk=17_adduct_tBuI.chk Mem=12000MB NProc=12 #p wB97xD/Def2SVP opt freq SCF=(XQC) gfprint gfinput 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=43,7=101,11=2,24=110,25=1,30=1,71=1,74=-58/1,2,3 4//1 5/5=2,8=3,13=1,38=5/2,8 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=43,7=101,11=2,25=1,30=1,71=1,74=-58/1,2,3 4/5=5,16=3,69=1/1 5/5=2,8=3,13=1,38=5/2,8 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 coments 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 12 16 11 12 12 12 1 12 1 12 1 1 1 14 12 12 12 12 12 12 12 14 1 1 1 12 12 12 14 1 1 1 12 12 1 1 1 12 1 1 1 12 1 1 1 127 12.0000000 15.9949146 11.0093053 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 14.0030740 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 14.0030740 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 126.9004000 0 0 3 0 0 0 1 0 1 0 1 1 1 2 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 1 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 5 -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/CompChem/Gaussian/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 1 3 3 3 3 4 4 4 5 5 5 6 6 8 8 10 15 15 16 16 17 18 19 19 20 20 21 21 26 26 26 27 27 28 33 33 33 33 34 34 34 38 38 38 42 42 42 2 15 16 14 17 18 46 6 7 14 8 9 14 10 11 10 12 13 18 28 17 19 22 29 20 23 21 24 22 25 27 29 31 28 32 30 34 38 42 46 35 36 37 39 40 41 43 44 45 1.2248 1.4802 1.4796 1.5167 1.5648 1.5655 3.329 1.3805 1.0927 1.3686 1.3804 1.0929 1.3687 1.3935 1.0905 1.3938 1.0906 1.0913 1.4213 1.4002 1.4206 1.4 1.361 1.3609 1.3822 1.0919 1.3998 1.0911 1.319 1.0967 1.3994 1.3199 1.0966 1.3828 1.091 1.0919 1.54 1.54 1.54 2.1 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 2 2 15 14 14 14 17 17 18 6 6 7 8 8 9 4 4 10 5 5 10 6 6 8 3 3 4 1 1 18 1 1 17 3 3 16 3 3 15 16 16 20 19 19 21 20 20 22 17 27 27 29 26 26 28 15 15 27 18 34 34 34 38 38 42 33 33 33 35 35 36 33 33 33 39 39 40 33 33 33 43 43 44 1 1 1 3 3 3 3 3 3 4 4 4 5 5 5 6 6 6 8 8 8 10 10 10 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 26 26 26 27 27 27 28 28 28 29 33 33 33 33 33 33 34 34 34 34 34 34 38 38 38 38 38 38 42 42 42 42 42 42 15 16 16 17 18 46 18 46 46 7 14 14 9 14 14 10 11 11 10 12 12 8 13 13 4 5 5 18 28 28 17 19 19 16 22 22 15 29 29 20 23 23 21 24 24 22 25 25 21 29 31 31 28 32 32 27 30 30 26 38 42 46 42 46 46 35 36 37 36 37 37 39 40 41 40 41 41 43 44 45 44 45 45 120.856 120.8733 118.2546 121.869 121.925 91.1889 116.206 91.4057 87.389 123.2509 122.1985 114.5431 123.2743 122.1959 114.5263 120.3134 118.2527 121.4326 120.3077 118.2623 121.4299 117.5456 121.2311 121.2228 121.2509 121.314 117.4351 123.232 116.7077 120.0405 123.2388 116.6962 120.0393 119.5558 122.1613 118.2666 119.4998 122.2488 118.2405 119.7703 117.9057 122.3208 117.1689 121.9951 120.8353 123.7012 120.0386 116.2599 121.0493 123.7109 120.0458 116.2432 117.1549 120.8476 121.9973 119.7853 117.8993 122.3142 121.0652 109.4712 109.4713 109.4712 109.4712 109.4712 109.4712 109.4712 109.4712 109.4712 109.4713 109.4712 109.4712 109.4712 109.4712 109.4712 109.4713 109.4712 109.4712 109.4712 109.4712 109.4712 109.4713 109.4712 109.4712 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A84 A85 3 3 46 46 33 33 13 13 -1 -2 172.8035 estimate D2E/DX2|estimate D2E/DX2 183.2021 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 2 2 16 16 2 2 15 15 17 17 18 18 46 46 14 14 18 18 46 46 14 14 17 17 46 46 14 14 14 17 17 17 18 18 18 7 7 14 14 6 6 7 7 9 9 14 14 8 8 9 9 4 4 11 11 5 5 12 12 1 1 28 28 1 1 18 18 1 1 19 19 1 1 17 17 3 16 3 15 16 16 23 23 19 19 24 24 20 25 29 29 31 31 27 31 26 26 32 32 38 38 38 42 42 42 46 46 46 34 34 34 42 42 42 46 46 46 34 34 34 38 38 38 46 46 46 1 1 1 1 1 1 1 1 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 6 6 8 8 8 8 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 17 17 18 18 19 19 19 19 20 20 20 20 21 21 26 26 26 26 26 26 27 27 27 27 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 15 15 15 15 16 16 16 16 14 14 14 14 14 14 17 17 17 17 17 17 18 18 18 18 18 18 33 33 33 33 33 33 33 33 33 6 6 6 6 14 14 14 14 8 8 8 8 14 14 14 14 10 10 10 10 10 10 10 10 18 18 18 18 28 28 28 28 17 17 17 17 19 19 19 19 22 22 29 29 20 20 20 20 21 21 21 21 22 22 27 27 27 27 29 29 28 28 28 28 34 34 34 34 34 34 34 34 34 38 38 38 38 38 38 38 38 38 42 42 42 42 42 42 42 42 42 18 28 18 28 17 19 17 19 4 5 4 5 4 5 16 22 16 22 16 22 15 29 15 29 15 29 34 38 42 34 38 42 34 38 42 10 11 10 11 3 5 3 5 10 12 10 12 3 4 3 4 8 13 8 13 6 13 6 13 3 29 3 29 27 30 27 30 3 22 3 22 20 23 20 23 21 21 26 26 21 24 21 24 22 25 22 25 17 17 28 32 28 32 18 18 15 30 15 30 35 36 37 35 36 37 35 36 37 39 40 41 39 40 41 39 40 41 43 44 45 43 44 45 43 44 45 178.0662 -0.3155 -0.4875 -178.8693 -178.3377 -0.1829 0.2159 178.3707 3.4117 -176.5477 -176.5287 3.5119 95.807 -84.1524 -178.8806 2.6155 1.0631 -177.4408 88.8445 -89.6594 178.6315 -2.5955 -1.3121 177.4609 -91.5943 87.1787 -170.5646 -50.8034 66.8 -48.7244 71.0368 -171.3598 67.4902 -172.7486 -55.1452 -178.5718 1.028 0.3735 179.9733 179.3101 -0.729 -1.6596 178.3014 -179.375 0.7377 -0.0959 -179.9833 -179.4491 0.5901 -0.1116 179.9275 0.1411 179.8859 -179.4457 0.299 -0.2747 179.9805 179.609 -0.1357 1.0656 -177.7564 179.3957 0.5736 178.036 -1.5755 -0.4004 179.9881 -0.5516 178.0105 -178.6472 -0.0852 -177.6293 1.7415 0.5879 179.9588 178.033 -0.4894 -179.0884 -0.3007 -0.5166 179.778 -179.8586 0.436 -0.0576 -179.8444 179.6515 -0.1354 0.5773 -179.6284 0.3301 -179.8017 -179.6396 0.2286 -0.1547 179.8161 -0.0392 179.5545 -179.9058 -0.3121 179.8889 -60.1111 59.8889 59.8889 179.8889 -60.1111 -60.1111 59.8889 179.8889 59.9785 179.9786 -60.0214 179.9786 -60.0214 59.9786 -60.0214 59.9786 179.9786 179.9855 -60.0145 59.9855 59.9855 179.9855 -60.0145 -60.0145 59.9855 179.9855 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 503 A 476 A 832 503 2536.5731720152 46 1.00e+00 60 F IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=121 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 Berny optimization. local minimum Step number 64 out of a maximum of 270 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00079 0.00124 0.00192 0.00243 0.00286 0.00355 0.00552 0.00627 0.00965 0.01460 0.01503 0.01513 0.01622 0.01750 0.01797 0.01964 0.02129 0.02138 0.02173 0.02175 0.02186 0.02204 0.02217 0.02220 0.02233 0.02268 0.02312 0.02327 0.02350 0.02466 0.02501 0.02559 0.02709 0.02843 0.03528 0.04029 0.04301 0.04724 0.05143 0.05263 0.05307 0.05687 0.05698 0.05713 0.06562 0.09293 0.11041 0.12514 0.14867 0.14928 0.14962 0.15321 0.15875 0.15918 0.15969 0.15988 0.16001 0.16006 0.16010 0.16014 0.16042 0.16056 0.16076 0.16146 0.16248 0.16346 0.16658 0.17029 0.17589 0.17933 0.20972 0.22109 0.22156 0.22239 0.22548 0.23080 0.23663 0.23904 0.24152 0.24839 0.25188 0.25302 0.26055 0.26132 0.28604 0.29659 0.30554 0.31026 0.32624 0.34047 0.34060 0.34168 0.34479 0.34512 0.34677 0.34686 0.34698 0.34718 0.34749 0.34754 0.35068 0.36268 0.37221 0.37229 0.37233 0.37270 0.37278 0.37428 0.37567 0.38149 0.38815 0.39720 0.41679 0.42661 0.43277 0.44393 0.44812 0.44910 0.46517 0.47365 0.47476 0.47966 0.48872 0.49867 0.51137 0.51703 0.52083 0.59592 0.60540 0.64110 0.88667 0.93528 -1.03464572e-10 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 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 2.30791 2.80605 2.80314 2.83553 2.96538 2.96362 7.09077 2.60632 2.05886 2.59633 2.60630 2.06161 2.59739 2.63785 2.06097 2.63843 2.06122 2.06165 2.68197 2.64406 2.67954 2.64499 2.56489 2.56840 2.61427 2.06335 2.64308 2.06181 2.49679 2.07209 2.64184 2.49734 2.07200 2.61533 2.06172 2.06341 2.88057 2.88000 2.87883 4.18977 2.07719 2.07736 2.08585 2.07742 2.07583 2.08594 2.07540 2.07747 2.08614 2.10764 2.11014 2.06530 2.12596 2.12785 1.54948 2.02892 1.40942 1.72620 2.14434 2.13307 2.00499 2.14785 2.13358 2.00120 2.10357 2.06154 2.11807 2.10269 2.06255 2.11794 2.04826 2.11738 2.11754 2.11488 2.12256 2.04518 2.15054 2.03903 2.09360 2.14746 2.04202 2.09367 2.08674 2.12362 2.07280 2.08191 2.13123 2.06941 2.08670 2.06100 2.13549 2.04749 2.12754 2.10814 2.15944 2.09493 2.02880 2.10624 2.15858 2.09593 2.02868 2.04668 2.10871 2.12778 2.08897 2.05911 2.13510 2.10901 1.94533 1.94626 1.87298 1.94149 1.87527 1.87845 1.94948 1.95173 1.89566 1.89406 1.88490 1.88583 1.95267 1.95024 1.89594 1.89408 1.88653 1.88207 1.95793 1.95427 1.89366 1.88895 1.88104 1.88533 2.10477 1.97309 3.12794 -0.01784 -0.02898 3.10842 -3.09037 0.04279 0.06658 -3.08345 -0.23069 2.94799 2.87709 -0.22742 1.13637 -1.96814 3.03699 -0.11314 -0.07260 3.06045 1.59290 -1.55723 -3.00253 0.09999 0.10703 -3.07364 -1.35950 1.74302 -2.88750 -0.12734 1.87118 -0.82383 1.93633 -2.34834 1.21266 -2.31036 -0.31185 3.09743 -0.04731 0.00052 3.13897 -3.10180 0.00430 0.08117 -3.09592 3.10767 -0.03511 0.00370 -3.13908 3.09952 -0.00641 -0.00738 -3.11331 -0.00333 3.13897 3.14151 0.00062 0.00129 -3.14101 -3.13907 0.00181 -0.05845 3.12082 3.08745 -0.01645 -3.12869 0.01206 0.00885 -3.13358 -0.01263 3.13725 3.13764 0.00434 -3.14140 -0.00047 -0.00797 3.13296 -3.13118 0.00194 -3.09191 0.01087 0.00533 -3.14019 -3.13557 0.00210 0.00100 3.13911 -3.13672 0.00139 -0.00473 3.14023 -0.01015 3.13656 3.13301 -0.00347 0.00249 -3.14061 0.00402 -3.13669 3.14044 -0.00027 -3.11717 -0.99055 1.08899 0.98465 3.11127 -1.09237 -1.06844 1.05818 3.13772 0.98516 3.11302 -1.09599 -3.11400 -0.98614 1.08803 -1.06218 1.06567 3.13985 3.13711 -1.01814 1.06103 0.95361 3.08154 -1.12248 -1.09628 1.03165 3.11082 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00003 -0.00006 -0.00004 0.00018 -0.00003 0.00002 -0.00051 0.00002 0.00002 -0.00004 0.00002 -0.00000 -0.00006 -0.00002 -0.00000 -0.00002 -0.00001 0.00000 0.00004 0.00000 0.00002 0.00002 0.00003 0.00002 -0.00002 -0.00000 0.00002 -0.00000 -0.00003 0.00000 -0.00001 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00003 0.00002 0.00007 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00001 -0.00001 0.00002 -0.00001 -0.00000 -0.00001 0.00001 0.00001 -0.00001 0.00004 -0.00117 -0.00003 0.00006 0.00118 0.00002 0.00000 -0.00002 -0.00007 0.00004 0.00003 -0.00000 -0.00001 0.00001 -0.00003 0.00001 0.00002 0.00000 0.00002 -0.00003 0.00010 -0.00009 -0.00001 0.00001 -0.00002 0.00001 0.00002 -0.00002 0.00000 0.00005 -0.00000 -0.00004 0.00005 0.00001 -0.00005 0.00002 -0.00001 -0.00001 -0.00001 -0.00000 0.00001 -0.00000 -0.00001 0.00001 0.00004 -0.00000 0.00001 -0.00001 -0.00001 0.00002 -0.00000 0.00002 0.00002 -0.00004 0.00004 0.00011 -0.00003 -0.00005 -0.00005 0.00004 -0.00002 -0.00003 -0.00004 -0.00003 0.00004 0.00004 0.00003 0.00001 -0.00004 -0.00004 0.00007 0.00002 -0.00001 0.00002 -0.00005 -0.00005 0.00004 0.00001 0.00002 0.00173 -0.00105 0.00032 0.00037 0.00048 0.00053 -0.00045 -0.00047 -0.00061 -0.00064 0.00043 0.00043 0.00042 0.00042 -0.00023 -0.00024 0.00079 0.00078 0.00080 0.00079 0.00215 0.00214 -0.00090 -0.00084 -0.00091 -0.00084 -0.00155 -0.00148 0.00346 0.00223 0.00223 0.00333 0.00210 0.00210 0.00346 0.00223 0.00223 0.00004 0.00005 -0.00003 -0.00002 -0.00004 -0.00003 -0.00010 -0.00010 -0.00012 -0.00005 -0.00004 0.00003 0.00008 0.00007 0.00015 0.00015 0.00006 0.00007 0.00005 0.00006 -0.00002 -0.00003 -0.00010 -0.00011 0.00029 0.00022 0.00024 0.00017 -0.00016 -0.00013 -0.00011 -0.00009 -0.00005 -0.00004 -0.00002 -0.00002 0.00011 0.00009 0.00008 0.00007 -0.00006 -0.00007 -0.00017 -0.00010 -0.00006 -0.00007 -0.00005 -0.00006 -0.00003 0.00000 -0.00002 0.00001 0.00009 0.00007 0.00010 0.00005 0.00009 0.00004 -0.00003 -0.00003 -0.00002 -0.00005 0.00003 0.00000 0.00001 0.00000 -0.00001 0.00001 0.00001 -0.00000 0.00008 0.00008 0.00007 0.00025 0.00032 0.00025 0.00026 0.00033 0.00026 0.00023 0.00029 0.00023 0.00012 0.00016 0.00013 0.00004 0.00007 0.00004 0.00004 0.00007 0.00004 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00003 -0.00006 -0.00004 0.00018 -0.00003 0.00002 -0.00051 0.00002 0.00002 -0.00004 0.00002 -0.00000 -0.00006 -0.00002 -0.00000 -0.00002 -0.00001 0.00000 0.00004 0.00000 0.00002 0.00002 0.00003 0.00002 -0.00002 -0.00000 0.00002 -0.00000 -0.00003 0.00000 -0.00001 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00003 0.00002 0.00007 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00001 -0.00001 0.00002 -0.00001 -0.00000 -0.00001 0.00001 0.00001 -0.00001 0.00004 -0.00117 -0.00003 0.00006 0.00118 0.00002 0.00000 -0.00002 -0.00007 0.00004 0.00003 -0.00000 -0.00001 0.00001 -0.00003 0.00001 0.00002 0.00000 0.00002 -0.00003 0.00010 -0.00009 -0.00001 0.00001 -0.00002 0.00001 0.00002 -0.00002 0.00000 0.00005 -0.00000 -0.00004 0.00005 0.00001 -0.00005 0.00002 -0.00001 -0.00001 -0.00001 -0.00000 0.00001 -0.00000 -0.00001 0.00001 0.00004 -0.00000 0.00001 -0.00001 -0.00001 0.00002 -0.00000 0.00002 0.00002 -0.00004 0.00004 0.00011 -0.00003 -0.00005 -0.00005 0.00004 -0.00002 -0.00003 -0.00004 -0.00003 0.00004 0.00004 0.00003 0.00001 -0.00004 -0.00004 0.00007 0.00002 -0.00001 0.00002 -0.00005 -0.00005 0.00004 0.00001 0.00002 0.00173 -0.00105 0.00032 0.00037 0.00048 0.00053 -0.00045 -0.00047 -0.00061 -0.00064 0.00043 0.00043 0.00042 0.00042 -0.00023 -0.00024 0.00079 0.00078 0.00080 0.00079 0.00215 0.00214 -0.00090 -0.00084 -0.00091 -0.00084 -0.00155 -0.00148 0.00346 0.00223 0.00223 0.00333 0.00210 0.00210 0.00346 0.00223 0.00223 0.00004 0.00005 -0.00003 -0.00002 -0.00004 -0.00003 -0.00010 -0.00010 -0.00012 -0.00005 -0.00004 0.00003 0.00008 0.00007 0.00015 0.00015 0.00006 0.00007 0.00005 0.00006 -0.00002 -0.00003 -0.00010 -0.00011 0.00029 0.00022 0.00024 0.00017 -0.00016 -0.00013 -0.00011 -0.00009 -0.00005 -0.00004 -0.00002 -0.00002 0.00011 0.00009 0.00008 0.00007 -0.00006 -0.00007 -0.00017 -0.00010 -0.00006 -0.00007 -0.00005 -0.00006 -0.00003 0.00000 -0.00002 0.00001 0.00009 0.00007 0.00010 0.00005 0.00009 0.00004 -0.00003 -0.00003 -0.00002 -0.00005 0.00003 0.00000 0.00001 0.00000 -0.00001 0.00001 0.00001 -0.00000 0.00008 0.00008 0.00007 0.00025 0.00032 0.00025 0.00026 0.00033 0.00026 0.00023 0.00029 0.00023 0.00012 0.00016 0.00013 0.00004 0.00007 0.00004 0.00004 0.00007 0.00004 2.30794 2.80599 2.80310 2.83572 2.96535 2.96363 7.09025 2.60634 2.05888 2.59629 2.60631 2.06161 2.59733 2.63782 2.06097 2.63841 2.06122 2.06165 2.68201 2.64406 2.67956 2.64502 2.56492 2.56842 2.61426 2.06334 2.64310 2.06181 2.49676 2.07209 2.64182 2.49734 2.07200 2.61532 2.06171 2.06341 2.88060 2.88002 2.87891 4.18977 2.07719 2.07737 2.08585 2.07742 2.07582 2.08593 2.07542 2.07747 2.08614 2.10763 2.11014 2.06531 2.12595 2.12789 1.54832 2.02889 1.40949 1.72737 2.14436 2.13307 2.00497 2.14778 2.13362 2.00124 2.10357 2.06153 2.11808 2.10266 2.06256 2.11796 2.04826 2.11741 2.11751 2.11498 2.12247 2.04517 2.15055 2.03902 2.09361 2.14748 2.04200 2.09367 2.08678 2.12362 2.07276 2.08196 2.13123 2.06936 2.08672 2.06099 2.13548 2.04748 2.12754 2.10815 2.15944 2.09493 2.02882 2.10628 2.15857 2.09594 2.02867 2.04666 2.10873 2.12778 2.08900 2.05914 2.13505 2.10905 1.94544 1.94623 1.87293 1.94144 1.87531 1.87842 1.94945 1.95169 1.89563 1.89410 1.88494 1.88586 1.95267 1.95020 1.89589 1.89415 1.88654 1.88206 1.95795 1.95422 1.89362 1.88899 1.88105 1.88535 2.10650 1.97204 3.12826 -0.01747 -0.02850 3.10895 -3.09082 0.04231 0.06597 -3.08409 -0.23025 2.94841 2.87752 -0.22700 1.13614 -1.96838 3.03778 -0.11236 -0.07181 3.06124 1.59505 -1.55509 -3.00343 0.09915 0.10611 -3.07449 -1.36105 1.74154 -2.88404 -0.12510 1.87341 -0.82050 1.93843 -2.34624 1.21612 -2.30813 -0.30962 3.09747 -0.04726 0.00049 3.13895 -3.10183 0.00427 0.08107 -3.09602 3.10755 -0.03516 0.00366 -3.13904 3.09959 -0.00634 -0.00723 -3.11316 -0.00328 3.13903 3.14155 0.00068 0.00127 -3.14104 -3.13918 0.00170 -0.05817 3.12105 3.08770 -0.01628 -3.12885 0.01193 0.00874 -3.13367 -0.01268 3.13721 3.13762 0.00432 -3.14129 -0.00038 -0.00789 3.13302 -3.13124 0.00187 -3.09209 0.01077 0.00526 -3.14026 -3.13562 0.00205 0.00097 3.13911 -3.13674 0.00140 -0.00464 3.14030 -0.01005 3.13661 3.13310 -0.00343 0.00245 -3.14064 0.00401 -3.13674 3.14047 -0.00027 -3.11716 -0.99055 1.08899 0.98467 3.11128 -1.09237 -1.06835 1.05826 3.13780 0.98541 3.11334 -1.09574 -3.11374 -0.98581 1.08829 -1.06195 1.06597 3.14008 3.13724 -1.01798 1.06116 0.95365 3.08161 -1.12243 -1.09625 1.03172 3.11086 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000002 0.000000 0.008605 0.001896 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -5.935989e-08 Optimization completed on the basis of negligible forces. -- 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 1 3 3 3 3 4 4 4 5 5 5 6 6 8 8 10 15 15 16 16 17 18 19 19 20 20 21 21 26 26 26 27 27 28 33 33 33 33 34 34 34 38 38 38 42 42 42 2 15 16 14 17 18 46 6 7 14 8 9 14 10 11 10 12 13 18 28 17 19 22 29 20 23 21 24 22 25 27 29 31 28 32 30 34 38 42 46 35 36 37 39 40 41 43 44 45 1.2213 1.4849 1.4834 1.5005 1.5692 1.5683 3.7523 1.3792 1.0895 1.3739 1.3792 1.091 1.3745 1.3959 1.0906 1.3962 1.0908 1.091 1.4192 1.3992 1.4179 1.3997 1.3573 1.3591 1.3834 1.0919 1.3987 1.0911 1.3212 1.0965 1.398 1.3215 1.0965 1.384 1.091 1.0919 1.5243 1.524 1.5234 2.2171 1.0992 1.0993 1.1038 1.0993 1.0985 1.1038 1.0983 1.0994 1.1039 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 15 14 14 14 17 17 18 6 6 7 8 8 9 4 4 10 5 5 10 6 6 8 3 3 4 1 1 18 1 1 17 3 3 16 3 3 15 16 16 20 19 19 21 20 20 22 17 27 27 29 26 26 28 15 15 27 18 34 34 34 38 38 42 33 33 33 35 35 36 33 33 33 39 39 40 33 33 33 43 43 44 1 1 1 3 3 3 3 3 3 4 4 4 5 5 5 6 6 6 8 8 8 10 10 10 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 26 26 26 27 27 27 28 28 28 29 33 33 33 33 33 33 34 34 34 34 34 34 38 38 38 38 38 38 42 42 42 42 42 42 15 16 16 17 18 46 18 46 46 7 14 14 9 14 14 10 11 11 10 12 12 8 13 13 4 5 5 18 28 28 17 19 19 16 22 22 15 29 29 20 23 23 21 24 24 22 25 25 21 29 31 31 28 32 32 27 30 30 26 38 42 46 42 46 46 35 36 37 36 37 37 39 40 41 40 41 41 43 44 45 44 45 45 120.759 120.9019 118.3331 121.8085 121.9168 88.7789 116.2483 80.754 98.9038 122.8619 122.2159 114.8773 123.0625 122.2454 114.6605 120.5257 118.1175 121.3566 120.4754 118.1756 121.3489 117.3566 121.3172 121.3261 121.1739 121.6139 117.1799 123.217 116.828 119.9545 123.0405 116.9993 119.9585 119.5612 121.6744 118.7626 119.2847 122.1103 118.5682 119.559 118.0866 122.3544 117.3127 121.8993 120.7876 123.727 120.0309 116.2418 120.6785 123.6774 120.0878 116.2347 117.2659 120.8204 121.913 119.6894 117.9785 122.3321 120.8374 111.4594 111.5125 107.3136 111.239 107.4451 107.627 111.6971 111.8261 108.6135 108.5216 107.9966 108.0501 111.8796 111.7407 108.6291 108.5226 108.09 107.8349 112.1811 111.9713 108.4989 108.2289 107.7755 108.0213 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A84 3 46 33 13 -1 120.5946 -DE/DX|=|0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 2 2 16 16 2 2 15 15 17 17 18 18 46 46 14 14 18 18 46 46 14 14 17 17 46 46 14 14 14 17 17 17 18 18 18 7 7 14 14 6 6 7 7 9 9 14 14 8 8 9 9 4 4 11 11 5 5 12 12 1 1 28 28 1 1 18 18 1 1 19 19 1 1 17 17 3 16 3 15 16 16 23 23 19 19 24 24 20 25 29 29 31 31 27 31 26 26 32 32 38 38 38 42 42 42 46 46 46 34 34 34 42 42 42 46 46 46 34 34 34 38 38 38 46 46 1 1 1 1 1 1 1 1 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 6 6 8 8 8 8 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 17 17 18 18 19 19 19 19 20 20 20 20 21 21 26 26 26 26 26 26 27 27 27 27 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 15 15 15 15 16 16 16 16 14 14 14 14 14 14 17 17 17 17 17 17 18 18 18 18 18 18 33 33 33 33 33 33 33 33 33 6 6 6 6 14 14 14 14 8 8 8 8 14 14 14 14 10 10 10 10 10 10 10 10 18 18 18 18 28 28 28 28 17 17 17 17 19 19 19 19 22 22 29 29 20 20 20 20 21 21 21 21 22 22 27 27 27 27 29 29 28 28 28 28 34 34 34 34 34 34 34 34 34 38 38 38 38 38 38 38 38 38 42 42 42 42 42 42 42 42 18 28 18 28 17 19 17 19 4 5 4 5 4 5 16 22 16 22 16 22 15 29 15 29 15 29 34 38 42 34 38 42 34 38 42 10 11 10 11 3 5 3 5 10 12 10 12 3 4 3 4 8 13 8 13 6 13 6 13 3 29 3 29 27 30 27 30 3 22 3 22 20 23 20 23 21 21 26 26 21 24 21 24 22 25 22 25 17 17 28 32 28 32 18 18 15 30 15 30 35 36 37 35 36 37 35 36 37 39 40 41 39 40 41 39 40 41 43 44 45 43 44 45 43 44 179.2179 -1.0222 -1.6607 178.0993 -177.0651 2.4515 3.8147 -176.6687 -13.2173 168.9071 164.8453 -13.0303 65.1093 -112.7663 174.0066 -6.4827 -4.1599 175.3508 91.2667 -89.2226 -172.0321 5.729 6.1322 -176.1067 -77.8937 99.8674 -165.4414 -7.2958 107.2107 -47.2021 110.9436 -134.55 69.4802 -132.3741 -17.8677 177.4697 -2.7105 0.0299 179.8498 -177.7199 0.2465 4.6505 -177.3832 178.0564 -2.0116 0.2121 -179.856 177.5894 -0.3674 -0.4228 -178.3796 -0.1909 179.8496 179.9952 0.0356 0.0741 -179.9664 -179.8557 0.1039 -3.3492 178.8101 176.898 -0.9427 -179.261 0.6908 0.5073 -179.541 -0.7237 179.7513 179.7734 0.2485 -179.9888 -0.0271 -0.4565 179.5051 -179.4031 0.1113 -177.1536 0.6229 0.3051 -179.9196 -179.6548 0.1205 0.0571 179.8575 -179.7207 0.0796 -0.2709 179.9218 -0.5814 179.7117 179.5082 -0.1987 0.1425 -179.9439 0.2306 -179.719 179.9341 -0.0156 -178.6006 -56.7545 62.3947 56.4165 178.2627 -62.5882 -61.2169 60.6292 179.7784 56.4456 178.3628 -62.7957 -178.419 -56.5018 62.3397 -60.8585 61.0587 179.9001 179.7433 -58.3352 60.7925 54.6376 176.5591 -64.3132 -62.8124 59.1091 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 Grimme-D2 -0.0365993719 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 435.94896999999986 AuxInfo=1/0/N:10,6,8,20,27,19,28,21,26,4,5,16,15,1,17,18,3,22,29,14,2;34,38,42,33,46/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(15,16)(18,19);(1,2,3)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,18.2,19.2,21.1;/rA:46nC3O1BC3C3C3HC3HC3HHHNC3C3C3C3C3C3C3N2HHHC3C3C3N2HHHCCHHHCHHHCHHHI/rB:s1;;;;s4;s4;s5;s5;s6s8;s6;s8;s10;s3s4s5;s1;s1;s3s16;s3s15;s16;s19;s20;s17s21;s19;s20;s21;;s26;s15s27;s18s26;s28;s26;s27;;s33;s34;s34;s34;s33;s38;s38;s38;s33;s42;s42;s42;s33;/rC:-3.4667,.0008,-.1319;-4.5859,-.2818,.2777;-.6959,.6724,-1.0849;1.406,.1456,-2.3622;1.2871,2.2103,-1.2688;2.6672,.4448,-2.8373;.9009,-.8031,-2.5594;2.5472,2.5472,-1.7209;.6774,2.8695,-.646;3.2661,1.6632,-2.5237;3.1763,-.2974,-3.4532;2.9579,3.5152,-1.4316;4.2631,1.9144,-2.8897;.6947,1.017,-1.5825;-2.8639,1.3217,.1562;-2.669,-.9807,-.8998;-1.3539,-.7187,-1.3689;-1.5551,1.688,-.2596;-3.2567,-2.2315,-1.1235;-2.5484,-3.2131,-1.7909;-1.2578,-2.8873,-2.2241;-.6962,-1.7098,-2.0302;-4.2685,-2.3954,-.7473;-2.9696,-4.2014,-1.9816;-.655,-3.63,-2.7607;-1.8225,3.7442,.8121;-3.1205,3.453,1.2464;-3.6375,2.2165,.9057;-1.0842,2.913,.1007;-4.6381,1.8991,1.2064;-1.3638,4.7088,1.0607;-3.6908,4.177,1.8303;1.5539,-1.1246,3.5037;.5669,-1.8693,4.4219;-.2071,-1.1987,4.7319;.1351,-2.6909,3.8896;1.0871,-2.2356,5.2822;2.6695,-2.089,3.0599;2.2391,-2.9119,2.5285;3.3551,-1.5717,2.4216;3.1896,-2.4534,3.9211;2.1734,.0595,4.269;2.8593,.5767,3.6311;1.3983,.7297,4.5772;2.693,-.3051,5.1304;.5337,-.4089,1.8135; 0.000000 1.224799 0.000000 3.006071 4.230686 0.000000 5.360810 6.561546 2.515347 0.000000 5.364075 6.564607 2.516234 2.339314 0.000000 6.718687 7.927016 3.799091 1.380518 2.735237 0.000000 5.061138 6.198836 2.626993 1.092733 3.300788 2.180407 0.000000 6.721289 7.929539 3.799619 2.735190 1.380427 2.383473 3.825955 0.000000 5.066320 6.203706 2.627975 3.300928 1.092877 3.826301 4.147245 2.180683 0.000000 7.335901 8.560645 4.330102 2.406122 2.406320 1.393452 3.417371 1.393850 3.417978 0.000000 7.432964 8.612223 4.641443 2.126118 3.824705 1.090532 2.496381 3.389411 4.914675 2.171612 0.000000 7.437407 8.616624 4.642396 3.824713 2.126176 3.389382 4.914341 1.090574 2.496896 2.171979 4.320882 0.000000 8.427168 9.651925 5.421419 3.401491 3.401614 2.170170 4.335731 2.170443 4.336309 1.091323 2.528006 2.528245 0.000000 4.522672 5.747343 1.516681 1.368567 1.368696 2.406715 2.075914 2.406719 2.075950 2.813449 3.374120 3.374261 3.904771 0.000000 1.480241 2.356046 2.581136 5.094876 4.477905 6.350056 5.105238 5.857079 3.947200 6.698972 7.220328 6.420722 7.773241 3.972442 0.000000 1.479645 2.355712 2.580661 4.473529 5.095991 5.853238 3.940803 6.350462 5.107539 6.697228 6.415114 7.221971 7.771426 3.971310 2.540498 0.000000 2.551793 3.653422 1.564843 3.057916 3.945135 4.436130 2.551229 5.099870 4.186226 5.324680 5.004457 6.043283 6.387278 2.693553 2.961300 1.420572 0.000000 2.552858 3.654322 1.565534 3.945652 3.061009 5.100788 4.186525 4.438746 2.555294 5.326477 6.043747 5.007911 6.389081 2.694892 1.421280 2.961829 2.657688 0.000000 2.451692 2.744387 3.871917 5.378259 6.355865 6.722493 4.624693 7.541751 6.459581 7.725085 7.109952 8.469963 8.766738 5.135875 3.797039 1.400038 2.443225 4.359420 0.000000 3.731571 4.125865 4.361997 5.219634 6.663090 6.455810 4.277437 7.690967 6.979631 7.623948 6.636029 8.701602 8.596267 5.334303 4.945210 2.406706 2.797649 5.229941 1.382192 0.000000 4.194993 4.911611 3.779549 4.038998 5.777078 5.185015 3.019332 6.653206 6.275118 6.423651 5.280111 7.706618 7.347130 4.412191 5.095249 2.716719 2.333146 4.988132 2.374221 1.399830 0.000000 3.769026 4.742922 2.562857 2.823418 4.458682 4.074993 1.911205 5.360669 4.977246 5.226902 4.360682 6.403937 6.202254 3.093552 4.320822 2.387761 1.360961 3.926556 2.765971 2.397518 1.318963 0.000000 2.600653 2.370371 4.721088 6.423756 7.235288 7.780658 5.704571 8.475308 7.224407 8.740657 8.194425 9.360756 9.795565 6.080770 4.075047 2.140844 3.419430 4.926920 1.091883 2.171744 3.389320 3.857162 0.000000 4.618159 4.804215 5.452307 6.179581 7.729007 7.354768 5.182963 8.720476 8.067417 8.577432 7.428252 9.745937 9.515267 6.388905 5.923386 3.410856 3.887820 6.296950 2.167768 1.091135 2.171614 3.373303 2.544124 0.000000 5.291367 5.991124 4.617361 4.319891 6.332913 5.257985 3.233025 7.035098 6.963545 6.591624 5.124902 8.116187 7.412491 4.980330 6.156831 3.812824 3.301662 5.945291 3.377063 2.167777 1.096700 2.054850 4.316864 2.508137 0.000000 4.196150 4.912267 3.782072 5.783544 4.043909 6.660456 6.281907 5.190664 3.023344 6.430580 7.714584 5.285686 7.354304 4.416885 2.717231 5.096252 4.989388 2.334099 6.443072 7.463689 7.315388 6.252474 6.790401 8.500237 8.276858 0.000000 3.733191 4.127182 4.364086 6.667067 5.224767 7.695659 6.983563 6.461274 4.283199 7.629300 8.706351 6.642466 8.601864 5.337910 2.407591 4.946411 5.230984 2.798832 6.160216 7.347672 7.464124 6.577787 6.284551 8.308560 8.503111 1.399408 0.000000 2.452519 2.744997 3.872894 6.356403 5.383329 7.543025 6.459220 6.727405 4.631660 7.728284 8.470300 7.116725 8.770108 5.137909 1.400231 3.797290 4.359287 2.444022 4.903807 6.159342 6.442597 5.717167 4.939607 7.069077 7.517835 2.374212 1.382813 0.000000 3.769743 4.743327 2.564498 4.463769 2.827141 5.366254 4.982582 4.079089 1.913829 5.232098 6.409991 4.364512 6.207506 3.097234 2.388000 4.321212 3.927012 1.360904 5.717008 6.576509 6.251257 5.105000 6.247998 7.648870 7.154129 1.319908 2.398079 2.766254 0.000000 2.601293 2.370976 4.721812 7.234658 6.428968 8.475445 7.222441 7.785673 5.712031 8.743322 9.359495 8.201752 9.798408 6.082377 2.140997 4.075121 4.926527 3.420266 4.939540 6.283710 6.790045 6.248067 4.732471 7.082652 7.884995 3.389287 2.172291 1.091946 3.857497 0.000000 5.292385 5.991674 4.619772 6.341192 4.324000 7.044511 6.972464 5.263616 3.234532 6.599995 8.127062 5.129641 7.421329 4.985386 3.813221 6.157667 5.946476 3.302241 7.518089 8.502397 8.276595 7.155230 7.885129 9.551227 9.199999 1.096608 2.167399 3.377138 2.055421 4.316944 0.000000 4.619616 4.805440 5.454346 7.733439 6.184844 8.725791 8.071837 7.360654 5.188682 8.583412 9.751480 7.435209 9.521629 6.392663 3.411577 5.924437 6.297890 3.888912 7.069835 8.308496 8.500712 7.650173 7.083348 9.233016 9.552033 2.171284 1.091039 2.168271 3.373937 2.544651 2.507943 0.000000 6.300146 6.986752 5.417299 6.003756 5.828387 6.626571 6.106650 6.462678 5.825954 6.858161 7.191314 6.917814 7.579659 5.585242 6.058747 6.102848 5.688815 5.633809 6.765944 7.015967 6.619708 6.002501 7.320328 7.747135 7.099239 6.507758 6.921031 6.698022 5.902824 7.263741 6.964944 7.642966 0.000000 6.364388 6.800447 6.195176 7.126586 7.038862 7.903295 7.070112 7.820544 6.939143 8.246577 8.443709 8.304922 9.024241 6.663334 6.336395 6.291372 6.208587 6.250902 6.745546 7.078846 6.966710 6.576538 7.097853 7.677982 7.495531 7.088817 7.211630 6.836247 6.653539 7.185594 7.635194 7.835960 1.540000 0.000000 5.976687 6.312997 6.129866 7.398350 7.061319 8.261672 7.385565 7.953401 6.801037 8.538030 8.902509 8.380079 9.368152 6.752363 5.860747 6.150127 6.226122 5.921568 6.682179 7.217045 7.234673 6.798993 6.924497 7.856130 7.889878 6.512034 6.501903 6.170139 6.254887 6.454395 7.050804 7.032324 2.148263 1.070000 0.000000 6.032492 6.413791 6.062005 6.981832 7.208147 7.841873 6.763072 8.045708 7.196063 8.360161 8.300224 8.648560 9.176465 6.633651 6.247664 5.807379 5.810145 6.264736 6.070050 6.304087 6.273386 6.057856 6.401555 6.811165 6.762570 7.396840 7.438552 6.871516 6.873560 7.144974 8.062500 8.126842 2.148263 1.070000 1.747303 0.000000 7.419725 7.813155 7.223308 8.013065 7.919694 8.695261 7.973519 8.605276 7.834114 8.993418 9.188468 9.035796 9.699942 7.606433 7.385234 7.341685 7.245440 7.286126 7.739583 8.012565 7.890974 7.545079 8.066211 8.548967 8.346709 8.012858 8.145675 7.829226 7.620447 8.153918 8.488376 8.710097 2.148263 1.070000 1.747303 1.747303 0.000000 7.225556 7.977916 6.010904 5.999100 6.255571 6.418476 6.029698 6.660741 6.502981 6.753654 6.773943 7.187686 7.346009 5.924414 7.119251 6.738465 6.138358 6.567514 7.255358 7.212500 6.631812 6.113973 7.919917 7.853575 6.877938 7.697870 8.217476 7.934469 6.918640 8.528874 8.153184 9.012678 1.540000 2.514809 3.444313 2.733877 2.732078 0.000000 6.936733 7.652678 5.875246 5.827681 6.446916 6.343720 5.667808 6.924949 6.778012 6.892905 6.595040 7.583307 7.533062 5.892519 7.042197 6.290614 5.736651 6.582465 6.633450 6.455040 5.900442 5.553614 7.303869 7.009566 6.071793 7.984164 8.419096 7.966671 7.132222 8.496445 8.556326 9.268438 2.148263 2.732803 3.711323 2.515599 3.060618 1.070000 0.000000 7.451885 8.325790 5.808842 5.443665 5.674429 5.674148 5.605700 5.897385 6.025343 5.910117 6.014070 6.393854 6.417753 5.460033 7.223605 6.904369 6.104916 6.474936 7.531133 7.435746 6.677689 6.020835 8.296977 8.142804 6.868295 7.593230 8.280233 8.095936 6.723620 8.798531 7.972763 9.112731 2.148263 3.444314 4.262111 3.711566 3.710419 1.070000 1.747303 0.000000 8.170458 8.857049 7.065952 7.029648 7.232134 7.372120 7.068060 7.566427 7.449974 7.647745 7.682969 8.020472 8.161886 6.968298 8.066648 7.728662 7.185806 7.559173 8.188433 8.131915 7.598024 7.146317 8.798889 8.708210 7.798160 8.555505 9.047441 8.803891 7.852316 9.358734 8.956089 9.781241 2.148263 2.733151 3.710659 3.063866 2.514022 1.070000 1.747303 1.747303 0.000000 7.154223 7.857142 6.105190 6.676043 6.006549 7.133858 6.999289 6.496732 5.855854 7.064499 7.795184 6.712178 7.684653 6.110948 6.624455 7.158711 6.695759 6.087859 7.988323 8.350308 7.913081 7.144577 8.525753 9.147481 8.427856 6.441618 6.976936 7.052001 6.010798 7.691567 6.664896 7.569015 1.540000 2.514810 2.732078 3.444314 2.733879 2.514809 3.444314 2.733151 2.732804 0.000000 7.383203 8.210586 5.906817 6.182116 5.399057 6.472647 6.637909 5.711812 5.320837 6.263253 7.145050 5.854487 6.802989 5.662309 6.736946 7.315548 6.665568 5.988340 8.240040 8.544288 7.951972 7.065458 8.877551 9.397364 8.420360 6.316615 7.051161 7.233639 5.785697 7.989969 6.443303 7.688268 2.148263 3.444314 3.710391 4.262111 3.711596 2.732859 3.710994 2.514869 3.061802 1.070000 0.000000 6.809975 7.437670 6.037282 6.963959 6.031608 7.527685 7.316246 6.655036 5.690333 7.401576 8.288703 6.804134 8.084829 6.206435 6.169492 7.033172 6.710303 5.747653 7.933165 8.466071 8.148296 7.348171 8.380298 9.295832 8.778790 5.799726 6.239432 6.406995 5.564999 7.011982 5.985665 6.732643 2.148263 2.733096 2.513961 3.710618 3.063782 3.444314 4.262112 3.711060 3.710925 1.070000 1.747303 0.000000 8.107271 8.748187 7.146360 7.615690 7.018070 8.002946 7.911498 7.422764 6.892536 7.923907 8.597138 7.597619 8.468329 7.127706 7.633404 8.097537 7.667379 7.146382 8.844210 9.156004 8.738664 8.045719 9.347686 9.890738 9.194167 7.445422 7.937622 8.017563 7.065539 8.602391 7.626219 8.469528 2.148263 2.732861 3.060704 3.711366 2.515662 2.733095 3.710990 3.062683 2.514748 1.070000 1.747303 1.747303 0.000000 4.467257 5.346512 3.328984 4.301709 4.114406 5.187490 4.405891 5.028383 4.100963 5.529111 5.893449 5.639617 6.436267 3.686730 4.157666 4.236286 3.713011 3.613613 5.129780 5.509463 5.064937 4.240129 5.793564 6.407727 5.719345 4.878884 5.346943 5.011589 4.072702 5.695934 5.509869 6.235229 2.100000 2.989582 3.112835 3.110680 3.959170 2.989582 3.111965 3.111549 3.959171 2.989582 3.111898 3.111616 3.959171 0.000000 C20H20BIN3O(2) 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 0 435.94896999999986 AuxInfo=1/0/N:10,6,8,20,27,19,28,21,26,4,5,16,15,1,17,18,3,22,29,14,2;34,38,42,33,46/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(15,16)(18,19);(1,2,3)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,18.2,19.2,21.1;/rA:46nC3O1BC3C3C3HC3HC3HHHNC3C3C3C3C3C3C3N2HHHC3C3C3N2HHHCCHHHCHHHCHHHI/rB:s1;;;;s4;s4;s5;s5;s6s8;s6;s8;s10;s3s4s5;s1;s1;s3s16;s3s15;s16;s19;s20;s17s21;s19;s20;s21;;s26;s15s27;s18s26;s28;s26;s27;;s33;s34;s34;s34;s33;s38;s38;s38;s33;s42;s42;s42;s33;/rC:-2.6952,-1.7738,.0066;-3.2125,-2.8834,-.0287;-1.3699,.9232,.0882;-.5466,3.0315,-1.0092;-.2792,2.8356,1.3065;.031,4.2852,-.9921;-.8873,2.5411,-1.9243;.306,4.0844,1.3669;-.441,2.2062,2.1852;.4707,4.8408,.2077;.1368,4.8178,-1.9379;.6331,4.455,2.339;.9311,5.8298,.2383;-.7185,2.2922,.1297;-2.2865,-1.1671,1.2935;-2.4326,-1.0186,-1.2385;-1.8048,.2556,-1.2586;-1.6466,.0983,1.3897;-2.8003,-1.6378,-2.4391;-2.5391,-1.0106,-3.6428;-1.917,.2423,-3.589;-1.5756,.8421,-2.4651;-3.2799,-2.6171,-2.3831;-2.8066,-1.4616,-4.5997;-1.6903,.7829,-4.5159;-1.5021,-.1841,3.7021;-2.1348,-1.4322,3.6816;-2.5282,-1.9201,2.449;-1.2728,.5388,2.6219;-3.0221,-2.8872,2.3346;-1.1652,.2451,4.6534;-2.3036,-1.989,4.6045;3.5797,-1.2573,-.2189;3.5688,-2.7665,-.5251;3.0803,-3.2884,.2711;3.0436,-2.9409,-1.4409;4.5748,-3.1189,-.6182;4.2852,-.5065,-1.3636;3.7619,-.681,-2.2804;4.2925,.5422,-1.151;5.2914,-.8589,-1.4545;4.3332,-1.0066,1.1005;4.341,.042,1.3131;3.8429,-1.5281,1.8959;5.3392,-1.3596,1.0095;1.6052,-.565,-.04; 0.1730830 0.1446105 0.1315786 -19.22544 -14.52762 -14.43625 -14.43619 -10.36796 -10.35176 -10.35173 -10.34375 -10.34039 -10.33545 -10.33538 -10.32865 -10.32862 -10.31917 -10.31894 -10.31051 -10.31046 -10.30378 -10.30377 -10.29983 -10.29969 -10.28838 -10.28828 -10.28704 -6.93692 -6.85138 -4.95899 -4.94448 -4.94435 -1.99333 -1.98864 -1.98852 -1.97609 -1.97609 -1.11433 -1.08822 -1.03165 -1.03059 -0.93123 -0.92308 -0.90004 -0.89299 -0.88000 -0.87071 -0.84252 -0.78967 -0.78887 -0.77153 -0.76291 -0.75331 -0.75200 -0.72498 -0.72021 -0.69273 -0.67353 -0.63550 -0.62594 -0.61533 -0.60919 -0.59923 -0.58455 -0.57902 -0.56267 -0.55971 -0.55098 -0.54499 -0.53747 -0.53629 -0.53604 -0.53498 -0.52083 -0.51278 -0.50132 -0.48963 -0.48853 -0.48766 -0.48594 -0.47955 -0.47788 -0.46419 -0.46348 -0.46002 -0.45978 -0.45502 -0.42218 -0.42203 -0.42157 -0.41480 -0.39045 -0.37248 -0.36447 -0.36304 -0.35429 -0.33785 -0.33126 -0.32697 -0.31735 -0.31632 -0.31414 -0.21139 -0.02043 0.01208 0.03437 0.04536 0.05916 0.06850 0.13219 0.13321 0.13640 0.13926 0.16030 0.16205 0.17914 0.18881 0.19165 0.19344 0.19475 0.19551 0.20555 0.20767 0.20793 0.20853 0.21844 0.22705 0.23318 0.23703 0.24408 0.24594 0.25602 0.26428 0.26604 0.27220 0.27742 0.28234 0.28360 0.29327 0.30386 0.30765 0.31070 0.32417 0.32974 0.34373 0.34668 0.34890 0.35794 0.36249 0.36800 0.37514 0.37685 0.39752 0.40279 0.40719 0.41139 0.41662 0.42344 0.44129 0.44399 0.45009 0.45840 0.46118 0.46815 0.47151 0.47403 0.48505 0.48924 0.49164 0.50352 0.51378 0.51877 0.52840 0.53093 0.53645 0.54051 0.54645 0.55060 0.55290 0.55902 0.56054 0.57037 0.57247 0.57386 0.57829 0.58683 0.59238 0.59767 0.60617 0.60953 0.62944 0.63395 0.64449 0.65999 0.66235 0.66519 0.66699 0.67307 0.67932 0.68270 0.68423 0.70201 0.70604 0.70702 0.71040 0.72051 0.72448 0.72937 0.73008 0.73235 0.73345 0.73702 0.73817 0.74121 0.74836 0.75013 0.75375 0.76353 0.77059 0.77413 0.77706 0.78003 0.78245 0.78926 0.79467 0.79570 0.79882 0.80315 0.81045 0.81087 0.81225 0.82043 0.82586 0.82634 0.82745 0.83074 0.83705 0.83833 0.83955 0.84709 0.86000 0.86363 0.87123 0.87753 0.88574 0.89876 0.91341 0.91733 0.92870 0.93786 0.95293 0.96515 0.97627 1.00680 1.01157 1.01532 1.01913 1.03226 1.04344 1.05638 1.08388 1.10595 1.12085 1.12918 1.13297 1.14015 1.14535 1.15787 1.16467 1.18962 1.19345 1.19590 1.20902 1.23791 1.24230 1.24398 1.24590 1.25403 1.27563 1.27777 1.28764 1.29962 1.30676 1.30903 1.31855 1.32106 1.33337 1.34669 1.34819 1.35274 1.35855 1.36964 1.38033 1.38815 1.39560 1.40296 1.40746 1.40933 1.42016 1.43481 1.44507 1.47577 1.51022 1.51376 1.51612 1.52434 1.56270 1.56459 1.59055 1.59516 1.59872 1.63105 1.63184 1.63505 1.63676 1.68623 1.68631 1.69380 1.70764 1.70950 1.71371 1.75425 1.76291 1.76903 1.78438 1.78953 1.79178 1.79866 1.79914 1.80424 1.81272 1.81978 1.82802 1.82818 1.83413 1.83867 1.84057 1.84482 1.85441 1.85960 1.86217 1.86665 1.86971 1.88859 1.88893 1.91814 1.91850 1.92499 1.93131 1.93809 1.93864 1.93911 1.94460 1.96452 1.97048 1.97247 1.99329 1.99997 2.00462 2.01659 2.03062 2.03311 2.03437 2.04314 2.04697 2.04722 2.05245 2.05804 2.07899 2.08293 2.09478 2.10246 2.10350 2.10837 2.12310 2.13033 2.15373 2.15944 2.18663 2.19611 2.20750 2.21410 2.22799 2.23995 2.24065 2.24673 2.26993 2.28649 2.29527 2.30167 2.31842 2.31863 2.31984 2.32359 2.35973 2.36377 2.38024 2.39080 2.39253 2.40837 2.41289 2.43334 2.44514 2.46727 2.47524 2.48407 2.49406 2.49589 2.51297 2.51323 2.51372 2.51948 2.52171 2.54507 2.54729 2.57008 2.58986 2.60656 2.64570 2.64653 2.66490 2.66966 2.67732 2.68754 2.71617 2.71940 2.72499 2.74097 2.76124 2.76789 2.76797 2.78377 2.78908 2.81020 2.81905 2.83183 2.83423 2.83480 2.83985 2.86159 2.86480 2.87186 2.90647 2.91475 2.94702 2.96953 2.96994 2.98890 3.01354 3.01649 3.04843 3.05616 3.07304 3.07417 3.07462 3.08316 3.09227 3.10584 3.11740 3.16265 3.16310 3.19010 3.19998 3.21149 3.22716 3.24210 3.24283 3.39139 3.45228 3.48435 3.49945 3.67220 3.73566 3.76688 3.77269 18.97477 18.97843 19.74990 56.67859 -19.22240 -14.52934 -14.43495 -14.43492 -10.36832 -10.34987 -10.34984 -10.34340 -10.33823 -10.33618 -10.33612 -10.32972 -10.32969 -10.32002 -10.31978 -10.31123 -10.31118 -10.30262 -10.30259 -10.29859 -10.29847 -10.28840 -10.28829 -10.28704 -6.93689 -6.84808 -4.95903 -4.94442 -4.94429 -1.99330 -1.98864 -1.98852 -1.97603 -1.97603 -1.10874 -1.08806 -1.03002 -1.02903 -0.92938 -0.92259 -0.89726 -0.89137 -0.87753 -0.86880 -0.84164 -0.78961 -0.78881 -0.77099 -0.75806 -0.75302 -0.74947 -0.72180 -0.71879 -0.69265 -0.67164 -0.63381 -0.62535 -0.61443 -0.60554 -0.59809 -0.58188 -0.57861 -0.56234 -0.55916 -0.54971 -0.54417 -0.53637 -0.53592 -0.53438 -0.53286 -0.51765 -0.50657 -0.49919 -0.48884 -0.48837 -0.48756 -0.48308 -0.47791 -0.47712 -0.46240 -0.46001 -0.45928 -0.45399 -0.45326 -0.42188 -0.42183 -0.41340 -0.41147 -0.38828 -0.36511 -0.35825 -0.35715 -0.33869 -0.33439 -0.32855 -0.32441 -0.31674 -0.31367 -0.31268 -0.03409 0.00233 0.02207 0.03934 0.05621 0.06247 0.07176 0.13311 0.13558 0.14475 0.15639 0.16090 0.16216 0.17891 0.19040 0.19303 0.19492 0.19550 0.19600 0.20667 0.20780 0.20805 0.20841 0.22166 0.23276 0.23353 0.23739 0.24480 0.24608 0.25658 0.26451 0.26612 0.27276 0.27741 0.28315 0.28453 0.29431 0.30793 0.31064 0.31360 0.32687 0.33031 0.34552 0.34830 0.35125 0.36132 0.36250 0.36918 0.37588 0.37767 0.40023 0.40348 0.40771 0.41188 0.41878 0.42373 0.44177 0.44546 0.45900 0.46223 0.46509 0.46954 0.47236 0.47705 0.48539 0.49053 0.49273 0.50368 0.51425 0.51901 0.53073 0.53206 0.53647 0.54128 0.54747 0.55271 0.55602 0.56025 0.56166 0.57161 0.57342 0.57521 0.57951 0.58765 0.59395 0.59762 0.60605 0.60900 0.63014 0.63194 0.64924 0.66092 0.66311 0.66651 0.66831 0.67372 0.68039 0.68404 0.68742 0.70343 0.70570 0.70766 0.71172 0.72035 0.72533 0.72979 0.73054 0.73298 0.73348 0.73769 0.73906 0.74135 0.74839 0.75122 0.75404 0.76557 0.77092 0.77436 0.77763 0.77966 0.78310 0.78984 0.79536 0.79612 0.79948 0.80356 0.81089 0.81149 0.81465 0.82130 0.82608 0.82663 0.82820 0.83158 0.83764 0.83943 0.83993 0.84787 0.86148 0.86388 0.87186 0.87772 0.88620 0.90013 0.91417 0.91808 0.93009 0.93857 0.95716 0.96679 0.97684 1.01063 1.01424 1.01664 1.02219 1.03555 1.04458 1.05712 1.08442 1.10819 1.12172 1.13460 1.14089 1.14408 1.14683 1.16498 1.17023 1.19356 1.19385 1.20293 1.20965 1.23855 1.24263 1.24586 1.24691 1.25616 1.27722 1.28038 1.28922 1.30105 1.30829 1.31019 1.31989 1.32304 1.33455 1.34740 1.34946 1.35273 1.36125 1.37081 1.38098 1.38967 1.39677 1.40503 1.41022 1.41337 1.42163 1.43865 1.44737 1.47637 1.51229 1.51569 1.51774 1.52546 1.56310 1.56493 1.59258 1.59979 1.61504 1.63112 1.63194 1.63509 1.63772 1.68650 1.68658 1.69735 1.70813 1.71065 1.71647 1.75589 1.76375 1.77054 1.78558 1.79025 1.79196 1.79987 1.80073 1.80591 1.81503 1.82017 1.82837 1.82855 1.83689 1.83990 1.84141 1.84718 1.85645 1.86282 1.86476 1.86780 1.87267 1.88867 1.88913 1.91822 1.91856 1.92662 1.93151 1.93820 1.93868 1.93927 1.94610 1.96475 1.97069 1.97370 1.99658 2.00152 2.00788 2.01642 2.03132 2.03346 2.03544 2.04406 2.04707 2.04755 2.05355 2.05920 2.08071 2.08584 2.09832 2.10368 2.10613 2.10941 2.12572 2.13034 2.15414 2.16040 2.18938 2.19730 2.20916 2.21396 2.22988 2.24014 2.24085 2.24709 2.27036 2.28648 2.29883 2.30183 2.31892 2.31910 2.32144 2.32591 2.36066 2.36492 2.38244 2.39278 2.39457 2.40946 2.41515 2.43593 2.44524 2.46965 2.47631 2.48458 2.49599 2.49797 2.51317 2.51362 2.51545 2.52117 2.52194 2.54549 2.54983 2.57009 2.59144 2.60720 2.64594 2.64677 2.66721 2.67195 2.68027 2.68852 2.71887 2.71971 2.72708 2.74100 2.76220 2.76802 2.76810 2.78528 2.78953 2.81114 2.82487 2.83413 2.83609 2.83697 2.84004 2.86232 2.86491 2.87830 2.90902 2.91742 2.94891 2.96966 2.97007 2.99060 3.01442 3.01649 3.04937 3.05671 3.07315 3.07427 3.07494 3.08319 3.09269 3.10632 3.11794 3.16272 3.16317 3.19095 3.20087 3.21259 3.22869 3.24364 3.25020 3.39205 3.45324 3.48555 3.50053 3.67270 3.73713 3.76939 3.77337 18.97487 18.97855 19.74976 56.67862 2-A. 3.7348 4.0911 -0.0030 5.5395 -171.7758 -157.9267 -154.2883 -4.1709 1.0448 -0.4034 -10.4456 3.4036 7.0420 -4.1709 1.0448 -0.4034 173.2745 84.6831 -1.9140 80.7247 -18.0891 -8.6701 -3.0353 -24.8822 3.0017 6.3692 -5655.9744 -4018.7577 -3209.9019 -171.6982 -4.8159 14.7761 -13.4639 34.2802 -19.4941 -1762.2149 -1504.8886 -1233.6733 12.3052 8.0798 83.4252 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 435.94896999999986 AuxInfo=1/0/N:10,6,8,20,27,19,28,21,26,4,5,16,15,1,17,18,3,22,29,14,2;34,38,42,33,46/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(15,16)(18,19);(1,2,3)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,18.2,19.2,21.1;/rA:46nC3O1BC3C3C3HC3HC3HHHNC3C3C3C3C3C3C3N2HHHC3C3C3N2HHHCCHHHCHHHCHHHI/rB:s1;;;;s4;s4;s5;s5;s6s8;s6;s8;s10;s3s4s5;s1;s1;s3s16;s3s15;s16;s19;s20;s17s21;s19;s20;s21;;s26;s15s27;s18s26;s28;s26;s27;;s33;s34;s34;s34;s33;s38;s38;s38;s33;s42;s42;s42;s33;/rC:-3.5166,.1336,-.1844;-4.6924,-.0022,.1164;-.5961,.4106,-.8282;1.585,-.6156,-1.5087;1.6156,1.5939,-.7216;2.9554,-.5997,-1.6638;.9683,-1.4693,-1.7877;2.9867,1.6462,-.8611;1.0258,2.4211,-.324;3.6925,.5403,-1.3388;3.4403,-1.5002,-2.0426;3.4971,2.5712,-.5899;4.7771,.5662,-1.4541;.8888,.4703,-1.0356;-2.7304,1.2855,.3254;-2.8434,-.8357,-1.0832;-1.4668,-.7562,-1.4137;-1.3583,1.4854,.0223;-3.6288,-1.8702,-1.6045;-3.0547,-2.8041,-2.4484;-1.6927,-2.6608,-2.7325;-.9387,-1.6934,-2.2414;-4.6833,-1.9068,-1.3235;-3.6313,-3.625,-2.8774;-1.1919,-3.3774,-3.3943;-1.3897,3.4478,1.2805;-2.7353,3.3062,1.6322;-3.4072,2.2022,1.1373;-.7365,2.5866,.5202;-4.4602,2.0129,1.3559;-.8153,4.3096,1.6403;-3.2277,4.0441,2.2674;1.3213,-.8366,2.9962;1.4615,-1.432,4.3924;.4952,-1.476,4.9143;1.8894,-2.4442,4.364;2.139,-.7908,4.9824;2.6581,-.8099,2.2646;3.1109,-1.8096,2.2021;2.5571,-.4083,1.2472;3.3508,-.1539,2.8199;.6886,.5485,3.0404;.5865,.9898,2.04;-.3042,.5322,3.5121;1.3392,1.2118,3.6366;-.0382,-2.1594,1.8482; 0.000000 1.221292 0.000000 3.003398 4.224051 0.000000 5.323649 6.513340 2.504685 0.000000 5.362825 6.560515 2.510555 2.345648 0.000000 6.679262 7.874975 3.785763 1.379205 2.737609 0.000000 5.025371 6.150006 2.627228 1.089504 3.307349 2.172544 0.000000 6.711057 7.914630 3.789986 2.738508 1.379194 2.385173 3.826019 0.000000 5.087763 6.226092 2.631860 3.307183 1.090957 3.826662 4.157028 2.175796 0.000000 7.312267 8.527568 4.320866 2.409656 2.409310 1.395889 3.414844 1.396197 3.417411 0.000000 7.383729 8.546685 4.627962 2.123545 3.827206 1.090617 2.485212 3.391296 4.915207 2.173092 0.000000 7.436233 8.613295 4.634527 3.828258 2.124278 3.391328 4.914760 1.090752 2.490061 2.173403 4.323127 0.000000 8.401438 9.615680 5.411757 3.404240 3.404097 2.172981 4.331412 2.173353 4.334729 1.090976 2.530468 2.530868 0.000000 4.499470 5.718431 1.500499 1.373921 1.374479 2.410451 2.081848 2.411271 2.081029 2.820948 3.377378 3.378679 3.911923 0.000000 1.484899 2.356147 2.578990 5.059678 4.480883 6.311764 5.072917 5.850000 3.977437 6.676701 7.172417 6.424296 7.748916 3.951594 0.000000 1.483356 2.356412 2.582339 4.454236 5.090725 5.832535 3.927738 6.340217 5.114016 6.684058 6.391097 7.214648 7.757207 3.954352 2.548724 0.000000 2.550396 3.648922 1.569209 3.056517 3.937356 4.431997 2.564801 5.090199 4.182775 5.320245 5.002797 6.032422 6.382500 2.682545 2.964721 1.417949 0.000000 2.555015 3.652093 1.568279 3.927002 3.067458 5.079238 4.173711 4.436844 2.584496 5.315744 6.016956 5.012859 6.377159 2.683136 1.419236 2.968947 2.664337 0.000000 2.458563 2.753646 3.873286 5.363528 6.346894 6.705929 4.618240 7.528778 6.459140 7.712539 7.092295 8.457772 8.753171 5.119626 3.806611 1.399671 2.439637 4.365986 0.000000 3.737500 4.136571 4.359408 5.215371 6.643473 6.449547 4.289912 7.669620 6.961777 7.611946 6.637014 8.676058 8.583998 5.316877 4.952156 2.404862 2.790351 5.232778 1.383413 0.000000 4.198545 4.917612 3.776616 4.052718 5.752489 5.195723 3.064910 6.629426 6.246371 6.417996 5.307621 7.674569 7.342119 4.398612 5.099086 2.715794 2.327627 4.989186 2.376077 1.398659 0.000000 3.770180 4.744448 2.557609 2.840395 4.431728 4.085818 1.973055 5.335404 4.946162 5.220389 4.387757 6.371053 6.196455 3.078197 4.321105 2.388495 1.357280 3.924928 2.770103 2.398760 1.321244 0.000000 2.611850 2.387679 4.724479 6.402574 7.231338 7.757145 5.687489 8.465546 7.233461 8.725958 8.165416 9.354595 9.779112 6.064764 4.089411 2.142499 3.417273 4.936927 1.091875 2.173186 3.390739 3.861310 0.000000 4.625178 4.818065 5.449623 6.175816 7.708078 7.349193 5.195350 8.697653 8.047621 8.564829 7.430994 9.718033 9.502315 6.371469 5.931488 3.408916 3.880439 6.300092 2.167824 1.091064 2.169996 3.374314 2.544287 0.000000 5.294759 5.997595 4.613988 4.346752 6.303848 5.282989 3.299744 7.008094 6.925826 6.590186 5.177615 8.076915 7.412467 4.969642 6.159982 3.811726 3.296803 5.945387 3.378390 2.166476 1.096500 2.056491 4.317495 2.505918 0.000000 4.201625 4.915820 3.781663 5.756717 4.059222 6.628052 6.257200 5.194759 3.076267 6.414345 7.671637 5.305428 7.335621 4.406994 2.717575 5.103735 4.993850 2.331338 6.451240 7.467496 7.315160 6.248126 6.804414 8.505171 8.275046 0.000000 3.738485 4.131996 4.360566 6.626563 5.234783 7.648802 6.943992 6.458649 4.330872 7.602296 8.645431 6.657391 8.571444 5.319223 2.406509 4.953808 5.233580 2.793452 6.170139 7.354575 7.466167 6.574867 6.301298 8.317553 8.504061 1.398001 0.000000 2.457223 2.748267 3.869798 6.313765 5.390189 7.495303 6.417262 6.721996 4.672818 7.700634 8.408754 7.126631 8.739284 5.116332 1.399175 3.804831 4.361767 2.440277 4.914375 6.168004 6.446982 5.717033 4.956537 7.079829 7.521617 2.375400 1.383973 0.000000 3.773945 4.744908 2.563741 4.445198 2.838975 5.343433 4.968242 4.081007 1.961064 5.221078 6.380815 4.376711 6.195125 3.088827 2.388795 4.326840 3.930359 1.359138 5.722176 6.576210 6.247401 5.097604 6.258340 7.649056 7.148420 1.321535 2.397876 2.767941 0.000000 2.606712 2.377159 4.718981 7.187439 6.434769 8.422280 7.174756 7.778529 5.751927 8.711871 9.290222 8.210692 9.762999 6.058921 2.140895 4.083813 4.929432 3.417328 4.953206 6.296976 6.798366 6.251237 4.753229 7.098885 7.893152 3.390022 2.173494 1.091909 3.859184 0.000000 5.297757 5.995524 4.619949 6.319441 4.343156 7.016867 6.951903 5.273161 3.288584 6.588132 8.088695 5.156768 7.406972 4.980454 3.813416 6.164789 5.951000 3.299889 7.525679 8.505188 8.275203 7.149771 7.898714 9.555043 9.196723 1.096455 2.166456 3.378286 2.056631 4.317537 0.000000 4.624613 4.810868 5.450699 7.689834 6.196355 8.674640 8.027973 7.359093 5.238487 8.553997 9.683811 7.453580 9.487983 6.373956 3.410091 5.931774 6.300342 3.883535 7.080394 8.316647 8.503595 7.647697 7.101151 9.243761 9.553948 2.169705 1.091013 2.168430 3.373875 2.544700 2.506692 0.000000 5.870514 6.719716 4.456238 4.517977 4.451465 4.943840 4.838440 4.880201 4.660866 5.129357 5.506262 5.404323 5.806477 4.260324 5.296482 5.829723 5.217933 4.627717 6.836560 7.257027 6.725303 5.768366 7.473909 8.173278 7.321828 5.352531 5.956524 5.920238 4.699343 6.650999 5.734750 6.711648 0.000000 6.941181 7.628865 5.906256 5.958569 5.944113 6.292997 6.199872 6.277005 6.105805 6.458621 6.732651 6.707614 7.011951 5.780140 6.441849 6.990667 6.537749 5.963214 7.878224 8.311188 7.888155 7.059514 8.405614 9.143069 8.453205 6.451828 6.905308 6.892610 5.997907 7.493589 6.761976 7.516140 1.524333 0.000000 6.684476 7.218255 6.142234 6.571413 6.514824 7.077613 6.718758 7.022217 6.550503 7.306859 7.554653 7.462399 7.941203 6.272550 6.252060 6.893897 6.664172 6.011359 7.723864 8.281060 8.041431 7.301237 8.118584 9.075075 8.688742 6.403200 6.639116 6.559242 6.109855 7.027768 6.775663 7.164992 2.184203 1.099203 0.000000 7.520513 8.205257 6.425495 6.158329 6.499560 6.393193 6.296227 6.725857 6.811357 6.684326 6.658849 7.230471 7.159029 6.217026 7.180778 7.393122 6.891659 6.696218 8.148827 8.425147 7.952266 7.224504 8.708362 9.182055 8.399723 7.414620 7.868845 7.749539 6.854182 8.320545 7.768419 8.525195 2.185876 1.099294 1.784486 0.000000 7.715994 8.424273 6.533598 6.517097 6.204559 6.698938 6.904071 6.387858 6.301896 6.644050 7.179657 6.648160 7.087345 6.274583 7.050515 7.849686 7.342571 6.481863 8.821616 9.286880 8.814727 7.903873 9.356962 10.154129 9.378405 6.642406 7.195029 7.382662 6.291829 8.034972 6.775804 7.716779 2.148490 1.103786 1.782220 1.782897 0.000000 6.709264 7.700446 4.652408 3.927747 3.972689 3.945283 4.439786 3.988797 4.450223 3.984692 4.431747 4.503744 4.495890 3.957370 6.098057 6.440046 5.526957 5.140746 7.457849 7.669808 6.879443 5.832833 8.244542 8.597787 7.310081 5.956569 6.814019 6.865218 5.109040 7.711209 6.217957 7.629088 1.524031 2.519139 3.484646 2.769335 2.767005 0.000000 7.307240 8.277054 5.277748 4.186211 4.729473 4.053834 4.541531 4.619672 5.350521 4.289332 4.268681 5.209202 4.667837 4.540805 6.871875 6.869905 5.927839 5.965120 7.740705 7.786669 6.939038 6.013182 8.555028 8.634545 7.231292 6.981814 7.789453 7.727555 6.079362 8.523450 7.292180 8.628351 2.186294 2.767732 3.782823 2.562905 3.116562 1.099322 0.000000 6.263629 7.348440 3.862738 2.929662 2.961608 2.944353 3.586207 2.974928 3.580342 2.979302 3.576981 3.624278 3.629729 2.960812 5.628143 5.897343 4.836654 4.518494 6.966744 7.133772 6.242865 5.103228 7.827962 8.102895 6.664381 5.517954 6.477322 6.511537 4.510629 7.424020 5.812570 7.370770 2.183929 3.484339 4.340467 3.782247 3.777998 1.098482 1.783933 0.000000 7.501276 8.486748 5.404168 4.697599 4.313638 4.523086 5.351284 4.113689 4.681886 4.230020 5.046152 4.367348 4.562868 4.616889 6.728640 7.352958 6.441635 5.717424 8.440127 8.706843 7.908882 6.810755 9.207903 9.656984 8.345177 6.149320 7.100968 7.352081 5.431837 8.237043 6.218545 7.823339 2.148463 2.770518 3.780130 3.124995 2.559473 1.103832 1.783408 1.779845 0.000000 5.315628 6.148908 4.078741 4.780506 4.013103 5.346629 5.240328 4.659217 3.865234 5.310487 6.132329 5.015769 6.075928 4.081725 4.427685 5.603136 5.117368 3.765202 6.787216 7.441798 7.021213 5.964251 7.343656 8.432139 7.768810 3.977816 4.616482 4.809681 3.540741 5.611792 4.285834 5.306092 1.523412 2.519423 2.765373 3.485675 2.769197 2.515073 3.482949 2.760854 2.762066 0.000000 4.745171 5.705389 3.156053 4.020891 3.008341 4.675067 4.565599 3.822053 2.798207 4.611472 5.568783 4.229441 5.472584 3.133790 3.745527 4.985048 4.380948 2.845841 6.263508 6.913654 6.426434 5.277922 6.890129 7.954112 7.194910 3.244044 4.070204 4.270215 2.570970 5.194562 3.625696 4.891655 2.188664 3.487823 3.788208 4.346428 3.773441 2.753313 3.773065 2.542932 3.091525 1.098254 0.000000 4.913529 5.574294 4.351863 5.485951 4.768359 6.220685 5.806410 5.585394 4.478050 6.285377 7.000492 5.952637 7.105272 4.702054 4.075409 5.425423 5.222598 3.768048 6.557816 7.363749 7.149763 6.201564 6.964747 8.317354 7.985723 3.828694 4.139967 4.249384 3.655025 4.910516 4.246589 4.735933 2.186907 2.784089 2.576456 3.794365 3.143489 3.483212 4.343265 3.768546 3.782762 1.099352 1.780477 0.000000 6.272300 7.088452 4.931760 5.465745 4.383679 5.829962 6.062166 4.809678 4.153012 5.544756 6.634976 4.936390 6.176727 4.752132 5.247018 6.630428 6.103488 4.518249 7.851745 8.512475 8.047104 6.941227 8.402273 9.514917 8.769318 4.242398 5.000603 5.454931 3.988862 6.282973 4.268895 5.545543 2.146313 2.752454 3.093389 3.768081 2.541888 2.776513 3.784971 3.133282 2.564924 1.103938 1.779075 1.782742 0.000000 4.635575 5.414295 3.752273 4.035733 4.840010 4.871203 3.835308 5.565308 5.179899 5.600321 5.260474 6.389103 6.443700 4.011369 4.629676 4.267827 3.827511 4.284932 4.989756 5.289283 4.896116 4.213472 5.630262 6.114749 5.504391 5.795624 6.098687 5.556886 4.977525 6.099501 6.518820 6.987957 2.217133 3.041521 3.186293 3.182110 4.054190 3.043736 3.188202 3.188000 4.056006 3.046650 3.216303 3.175555 4.057148 0.000000 C20H20BIN3O(2) 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 0 435.94896999999986 AuxInfo=1/0/N:10,6,8,20,27,19,28,21,26,4,5,16,15,1,17,18,3,22,29,14,2;34,38,42,33,46/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(15,16)(18,19);(1,2,3)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,18.2,19.2,21.1;/rA:46nC3O1BC3C3C3HC3HC3HHHNC3C3C3C3C3C3C3N2HHHC3C3C3N2HHHCCHHHCHHHCHHHI/rB:s1;;;;s4;s4;s5;s5;s6s8;s6;s8;s10;s3s4s5;s1;s1;s3s16;s3s15;s16;s19;s20;s17s21;s19;s20;s21;;s26;s15s27;s18s26;s28;s26;s27;;s33;s34;s34;s34;s33;s38;s38;s38;s33;s42;s42;s42;s33;/rC:-3.1409,.5481,.4927;-4.0695,.7426,1.2618;-.7864,.0646,-1.308;1.0023,-1.4541,-2.1842;1.1533,.8274,-2.7076;2.1783,-1.7065,-2.8592;.4063,-2.2396,-1.7208;2.333,.6139,-3.3893;.7076,1.8155,-2.5843;2.8762,-.6691,-3.4799;2.5434,-2.7338,-2.8892;2.823,1.4715,-3.8521;3.8088,-.8538,-4.0151;.4678,-.1919,-2.0909;-2.3232,1.6801,-.0122;-2.8138,-.8207,.024;-1.7105,-1.1059,-.8197;-1.2237,1.5125,-.8937;-3.6463,-1.8577,.4606;-3.3896,-3.1554,.0557;-2.2861,-3.3609,-.7788;-1.4885,-2.392,-1.1922;-4.4821,-1.6046,1.116;-4.0142,-3.9922,.3718;-2.0403,-4.372,-1.1246;-.9116,3.8229,-.9073;-1.9724,4.0609,-.0284;-2.6848,2.9615,.4181;-.5553,2.6179,-1.3165;-3.531,3.0524,1.102;-.3212,4.661,-1.296;-2.2234,5.076,.2829;2.6454,.6145,1.4809;3.4039,.7724,2.7937;2.7482,1.1258,3.602;3.8724,-.1701,3.111;4.2029,1.5204,2.6511;3.5517,.0917,.3727;4.0276,-.8604,.6476;3.0031,-.0512,-.5681;4.3488,.8331,.19;1.9639,1.9134,1.0698;1.4175,1.8131,.1224;1.2608,2.2694,1.8362;2.739,2.6872,.9316;1.0602,-.8997,1.8128; 0.1824401 0.1453959 0.1407968 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Defaulting to unpruned grid for atomic number 53. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 497 496 496 497 497 MxSgAt= 46 MxSgA2= 46. 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 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Defaulting to unpruned grid for atomic number 53. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 501 501 501 501 501 MxSgAt= 46 MxSgA2= 46. 1 0.7898 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 C O B C C C H C H C H H H N C C C C C C C N H H H C C C N H H H C C H H H C H H H C H H H I 13 17 11 13 13 13 1 13 1 13 1 1 1 14 13 13 13 13 13 13 13 14 1 1 1 13 13 13 14 1 1 1 13 13 1 1 1 13 1 1 1 13 1 1 1 127 -0.01625 0.04665 0.04940 0.03032 0.03024 -0.02361 -0.00238 -0.02363 -0.00238 0.03368 0.00109 0.00109 -0.00274 -0.05821 0.01736 0.01707 -0.03505 -0.03535 -0.01576 0.01792 -0.01564 0.01974 0.00074 -0.00143 0.00073 -0.01592 0.01823 -0.01604 0.02024 0.00075 0.00074 -0.00146 0.01356 -0.00043 0.00004 0.00004 0.00031 -0.00073 0.00003 0.00003 0.00020 -0.00052 0.00003 0.00004 0.00029 0.00004 -18.27258 -28.27616 70.85393 34.08414 33.99713 -26.53688 -10.62657 -26.56011 -10.62257 37.86113 4.85019 4.86681 -12.24354 -18.80718 19.51753 19.19297 -39.40012 -39.73539 -17.72117 20.14518 -17.58702 6.37760 3.30570 -6.40797 3.27283 -17.90212 20.49951 -18.03273 6.54055 3.36845 3.32706 -6.52667 15.24684 -0.48867 0.18230 0.17192 1.40273 -0.82610 0.13155 0.12150 0.90900 -0.58827 0.15008 0.17779 1.28462 0.03719 -6.52011 -10.08964 25.28245 12.16207 12.13102 -9.46902 -3.79182 -9.47731 -3.79040 13.50979 1.73067 1.73660 -4.36880 -6.71087 6.96434 6.84853 -14.05894 -14.17857 -6.32335 7.18830 -6.27549 2.27569 1.17955 -2.28652 1.16783 -6.38792 7.31474 -6.43453 2.33383 1.20195 1.18718 -2.32888 5.44045 -0.17437 0.06505 0.06135 0.50053 -0.29477 0.04694 0.04335 0.32436 -0.20991 0.05355 0.06344 0.45839 0.01327 -6.09508 -9.43191 23.63433 11.36925 11.34022 -8.85175 -3.54464 -8.85950 -3.54331 12.62911 1.61785 1.62339 -4.08400 -6.27340 6.51035 6.40208 -13.14246 -13.25430 -5.91115 6.71971 -5.86640 2.12734 1.10266 -2.13747 1.09170 -5.97150 6.83790 -6.01507 2.18169 1.12359 1.10979 -2.17706 5.08580 -0.16300 0.06081 0.05735 0.46790 -0.27556 0.04388 0.04053 0.30321 -0.19623 0.05006 0.05930 0.42850 0.01240 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 -0.007607 0.362221 0.177829 0.122988 0.117950 -0.057963 -0.002280 -0.058090 -0.003572 0.138372 -0.001261 -0.001749 0.001965 -0.094136 0.075252 0.075013 -0.023488 -0.022244 -0.040746 0.070518 -0.042599 0.104336 -0.002755 -0.000978 -0.001282 -0.042268 0.069147 -0.040667 0.105472 -0.002890 -0.001562 -0.001619 0.021231 0.000036 0.000233 0.000239 0.000349 0.000856 0.000514 0.000960 0.000653 0.000867 0.000863 0.000429 0.000663 -0.001465 0.010963 -0.119502 -0.057173 -0.042032 -0.037660 0.022217 -0.002788 0.022860 -0.000692 -0.043147 0.002698 0.003459 0.011413 0.026151 -0.021897 -0.021857 0.006833 0.005636 0.008829 -0.022041 0.012114 -0.032206 -0.002977 -0.003594 0.000383 0.012794 -0.021136 0.009109 -0.034266 -0.002705 0.001034 -0.002292 -0.008339 0.000806 0.000509 0.000246 0.000180 -0.000502 -0.000528 -0.000318 -0.000358 -0.000666 -0.000442 -0.000434 -0.000380 0.001124 -0.003356 -0.242719 -0.120655 -0.080957 -0.080291 0.035746 0.005067 0.035229 0.004265 -0.095225 -0.001438 -0.001710 -0.013378 0.067986 -0.053355 -0.053156 0.016655 0.016608 0.031917 -0.048477 0.030485 -0.072130 0.005732 0.004573 0.000899 0.029474 -0.048011 0.031558 -0.071205 0.005595 0.000529 0.003911 -0.012892 -0.000841 -0.000741 -0.000485 -0.000530 -0.000353 0.000014 -0.000643 -0.000295 -0.000200 -0.000420 0.000006 -0.000283 0.000341 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 0.011781 -0.280201 -0.144760 -0.091602 -0.094783 0.047124 0.001158 0.047056 0.000243 -0.105879 0.002838 0.002494 0.005677 0.073165 -0.065350 -0.064447 0.016861 0.017737 0.032665 -0.060844 0.035982 -0.091661 -0.000032 -0.001327 0.001278 0.036462 -0.062215 0.033002 -0.091968 -0.000138 0.001165 -0.001682 -0.012618 -0.000878 -0.000548 -0.000545 -0.000542 -0.000145 -0.000390 -0.000019 -0.000185 -0.000284 -0.000173 -0.000537 -0.000331 0.001158 0.000941 -0.050807 -0.027356 -0.031422 -0.034469 0.015947 0.003762 0.014289 -0.002197 -0.037141 0.001295 -0.000853 -0.001361 0.023480 -0.014003 -0.008042 -0.000300 0.006908 0.003315 -0.003585 0.004895 -0.006703 0.000935 0.002931 0.001522 0.007347 -0.016113 0.008204 -0.023781 -0.000027 -0.001198 -0.002587 -0.002706 -0.000172 0.000012 -0.000213 -0.000103 -0.000709 -0.000686 -0.000480 -0.000419 0.000870 0.000501 0.000477 0.000318 -0.000102 0.000175 0.023291 0.012913 0.015803 0.014660 -0.003754 0.005730 -0.009763 -0.006809 0.017370 0.002319 -0.002180 0.001480 -0.011434 0.005503 0.005575 -0.003238 0.000067 -0.001377 0.004644 0.002210 0.003967 0.000820 0.005379 0.002781 -0.008411 0.005086 -0.004786 0.010843 -0.001798 -0.002945 -0.006119 0.000946 0.000395 -0.000167 0.000525 0.000149 -0.000117 0.000040 -0.000177 -0.000044 0.000050 0.000198 -0.000253 0.000006 0.000089 0.8977 -0.4339 -0.0767 0.0566 -0.0589 0.9967 0.4369 0.899 0.0283 -0.0134 -0.0033 0.0167 -1.796 -0.445 2.24 -0.641 -0.159 0.799 -0.599 -0.148 0.747 1 C 13 0.4188 0.9077 0.0256 0.0579 -0.0548 0.9968 0.9062 -0.416 -0.0755 -0.2481 -0.247 0.4951 17.955 17.869 -35.824 6.407 6.376 -12.783 5.989 5.961 -11.95 2 O 17 0.4323 0.9011 0.0348 0.0585 -0.0665 0.9961 0.8998 -0.4285 -0.0815 -0.1261 -0.1231 0.2492 -21.594 -21.081 42.675 -7.705 -7.522 15.227 -7.203 -7.032 14.235 3 B 11 -0.0447 -0.4141 0.9092 0.4246 0.8159 0.3925 0.9043 -0.4035 -0.1394 -0.0866 -0.0821 0.1687 -11.622 -11.017 22.639 -4.147 -3.931 8.078 -3.877 -3.675 7.551 4 C 13 0.2737 0.2528 0.928 0.354 0.8707 -0.3415 0.8943 -0.4219 -0.1488 -0.0865 -0.0819 0.1684 -11.603 -10.996 22.598 -4.14 -3.924 8.064 -3.87 -3.668 7.538 5 C 13 0.9009 -0.4125 -0.1352 -0.0535 -0.4146 0.9084 0.4308 0.8111 0.3956 -0.0819 0.0365 0.0454 -10.995 4.901 6.094 -3.923 1.749 2.174 -3.667 1.635 2.033 6 C 13 0.2632 0.8174 -0.5124 0.9116 -0.3846 -0.1453 0.3158 0.4288 0.8464 -0.006 -0.0034 0.0094 -3.205 -1.797 5.002 -1.144 -0.641 1.785 -1.069 -0.599 1.668 7 H 1 0.898 -0.4157 -0.1439 0.2681 0.258 0.9282 0.3488 0.8721 -0.3431 -0.0822 0.0366 0.0455 -11.026 4.917 6.108 -3.934 1.755 2.18 -3.678 1.64 2.038 8 C 13 0.4404 0.7014 0.5605 0.8853 -0.4432 -0.141 -0.1495 -0.5583 0.8161 -0.006 -0.0033 0.0093 -3.192 -1.784 4.976 -1.139 -0.637 1.775 -1.065 -0.595 1.66 9 H 1 0.1162 -0.0844 0.9896 0.4214 0.9064 0.0278 0.8994 -0.4138 -0.1409 -0.1011 -0.0918 0.1929 -13.562 -12.323 25.886 -4.839 -4.397 9.237 -4.524 -4.111 8.634 10 C 13 0.8994 -0.3661 -0.239 0.0611 -0.436 0.8979 0.4329 0.8221 0.3698 -0.0028 -0.0025 0.0052 -1.473 -1.321 2.793 -0.525 -0.471 0.997 -0.491 -0.441 0.932 11 H 1 0.9159 -0.3942 -0.0753 0.1919 0.2656 0.9448 0.3525 0.8798 -0.3189 -0.0028 -0.0025 0.0052 -1.469 -1.332 2.8 -0.524 -0.475 0.999 -0.49 -0.444 0.934 12 H 1 0.117 -0.0849 0.9895 0.8994 -0.4134 -0.1418 0.4211 0.9066 0.028 -0.0137 -4.0E-4 0.0141 -7.292 -0.229 7.521 -2.602 -0.082 2.684 -2.432 -0.076 2.509 13 H 1 0.8965 -0.4238 -0.1294 0.4305 0.9021 0.0283 0.1048 -0.0811 0.9912 -0.1321 0.0607 0.0714 -5.095 2.341 2.754 -1.818 0.835 0.983 -1.7 0.781 0.919 14 N 14 0.3757 0.6046 0.7023 -0.2582 -0.6595 0.7059 0.89 -0.4466 -0.0916 -0.0561 -0.0534 0.1095 -7.529 -7.162 14.691 -2.687 -2.556 5.242 -2.511 -2.389 4.901 15 C 13 0.297 0.6836 -0.6667 0.3387 0.5774 0.7429 0.8928 -0.4464 -0.0601 -0.0553 -0.0525 0.1078 -7.419 -7.044 14.463 -2.647 -2.513 5.161 -2.475 -2.349 4.824 16 C 13 0.9126 -0.4083 -0.022 0.3475 0.746 0.5681 -0.2156 -0.5261 0.8226 -0.031 0.0122 0.0188 -4.163 1.64 2.523 -1.486 0.585 0.9 -1.389 0.547 0.842 17 C 13 0.8958 -0.4258 -0.1276 0.3068 0.7999 -0.5157 0.3217 0.4228 0.8472 -0.0317 0.0124 0.0193 -4.248 1.663 2.585 -1.516 0.593 0.922 -1.417 0.555 0.862 18 C 13 0.895 -0.4442 -0.0402 0.4431 0.8958 -0.0343 0.0512 0.0129 0.9986 -0.0571 0.025 0.0321 -7.663 3.36 4.303 -2.734 1.199 1.536 -2.556 1.121 1.435 19 C 13 0.3791 0.8004 -0.4644 0.2347 0.4023 0.8849 0.8951 -0.4444 -0.0353 -0.0536 -0.0473 0.1009 -7.186 -6.349 13.536 -2.564 -2.266 4.83 -2.397 -2.118 4.515 20 C 13 0.896 -0.4424 -0.0374 -0.3024 -0.6697 0.6782 0.3251 0.5964 0.7339 -0.0606 0.0261 0.0345 -8.128 3.505 4.623 -2.9 1.251 1.65 -2.711 1.169 1.542 21 C 13 0.4441 0.8914 -0.0909 0.0719 0.0657 0.9952 0.8931 -0.4485 -0.0349 -0.0783 -0.0724 0.1506 -3.019 -2.79 5.809 -1.077 -0.996 2.073 -1.007 -0.931 1.938 22 N 14 0.4209 0.8981 -0.1278 0.9008 -0.4303 -0.0574 0.1065 0.0909 0.9901 -0.0031 -0.0028 0.0059 -1.658 -1.494 3.152 -0.592 -0.533 1.125 -0.553 -0.498 1.051 23 H 1 0.3814 0.8029 -0.4581 0.8931 -0.4479 -0.0415 0.2386 0.3933 0.8879 -0.0073 -4.0E-4 0.0077 -3.892 -0.24 4.131 -1.389 -0.085 1.474 -1.298 -0.08 1.378 24 H 1 -0.3707 -0.5912 0.7162 0.8631 -0.5041 0.0306 0.343 0.6295 0.6972 -0.0022 -0.002 0.0042 -1.165 -1.054 2.219 -0.416 -0.376 0.792 -0.389 -0.351 0.74 25 H 1 0.8871 -0.4476 -0.1129 0.3854 0.5835 0.7149 -0.2541 -0.6777 0.6901 -0.0616 0.0266 0.035 -8.266 3.565 4.701 -2.95 1.272 1.677 -2.757 1.189 1.568 26 C 13 0.439 0.7408 0.5085 -0.1473 -0.4989 0.854 0.8864 -0.4498 -0.1099 -0.0545 -0.0482 0.1027 -7.315 -6.469 13.783 -2.61 -2.308 4.918 -2.44 -2.158 4.598 27 C 13 0.8897 -0.4443 -0.1051 0.4533 0.8871 0.0871 0.0546 -0.1251 0.9906 -0.0581 0.0255 0.0326 -7.799 3.422 4.377 -2.783 1.221 1.562 -2.601 1.141 1.46 28 C 13 0.4544 0.879 0.1445 0.0375 -0.1809 0.9828 0.89 -0.4411 -0.1152 -0.08 -0.0741 0.1541 -3.086 -2.858 5.944 -1.101 -1.02 2.121 -1.029 -0.953 1.983 29 N 14 0.4711 0.8637 0.179 0.8821 -0.4613 -0.0958 1.0E-4 -0.203 0.9792 -0.0032 -0.0028 0.006 -1.682 -1.502 3.184 -0.6 -0.536 1.136 -0.561 -0.501 1.062 30 H 1 0.4395 0.5111 0.7387 0.8544 -0.4917 -0.1681 0.2773 0.705 -0.6528 -0.0022 -0.002 0.0042 -1.185 -1.066 2.251 -0.423 -0.38 0.803 -0.395 -0.355 0.751 31 H 1 0.4401 0.7442 0.5024 0.8859 -0.4512 -0.1076 -0.1466 -0.4925 0.8579 -0.0074 -4.0E-4 0.0079 -3.958 -0.239 4.197 -1.412 -0.085 1.497 -1.32 -0.08 1.4 32 H 1 0.1854 0.3043 0.9343 0.3 0.8879 -0.3487 0.9358 -0.3449 -0.0733 -0.0131 -0.013 0.0261 -1.761 -1.741 3.502 -0.628 -0.621 1.249 -0.587 -0.581 1.168 33 C 13 -0.0501 -0.2453 0.9682 0.8451 0.5062 0.172 -0.5323 0.8268 0.1819 -9.0E-4 -5.0E-4 0.0015 -0.125 -0.07 0.196 -0.045 -0.025 0.07 -0.042 -0.024 0.065 34 C 13 0.0765 0.1617 0.9839 0.7907 0.5913 -0.1587 -0.6074 0.7901 -0.0826 -8.0E-4 -2.0E-4 9.0E-4 -0.41 -0.096 0.506 -0.146 -0.034 0.18 -0.137 -0.032 0.169 35 H 1 -0.085 -0.4953 0.8646 0.7808 0.506 0.3666 -0.619 0.7062 0.3437 -8.0E-4 -2.0E-4 0.001 -0.408 -0.114 0.522 -0.146 -0.041 0.186 -0.136 -0.038 0.174 36 H 1 -0.0115 -0.2054 0.9786 0.6613 0.7325 0.1615 0.75 -0.649 -0.1274 -6.0E-4 -3.0E-4 8.0E-4 -0.299 -0.147 0.446 -0.107 -0.053 0.159 -0.1 -0.049 0.149 37 H 1 0.3781 0.518 0.7673 -0.1772 0.854 -0.4892 0.9087 -0.0489 -0.4147 -8.0E-4 -4.0E-4 0.0012 -0.105 -0.054 0.159 -0.037 -0.019 0.057 -0.035 -0.018 0.053 38 C 13 0.4601 0.8026 0.3796 0.3513 -0.5572 0.7524 0.8154 -0.2129 -0.5383 -7.0E-4 -3.0E-4 0.0011 -0.391 -0.179 0.57 -0.14 -0.064 0.203 -0.13 -0.06 0.19 39 H 1 0.2478 0.3214 0.914 -0.1048 0.9467 -0.3045 0.9631 0.0203 -0.2683 -8.0E-4 -3.0E-4 0.0011 -0.446 -0.138 0.583 -0.159 -0.049 0.208 -0.149 -0.046 0.195 40 H 1 0.3518 0.5736 0.7398 -0.0974 0.8084 -0.5805 0.931 -0.1321 -0.3403 -5.0E-4 -3.0E-4 8.0E-4 -0.282 -0.162 0.444 -0.101 -0.058 0.159 -0.094 -0.054 0.148 41 H 1 0.4057 0.7066 -0.5797 -0.2738 0.6991 0.6605 0.872 -0.1092 0.4772 -9.0E-4 -5.0E-4 0.0014 -0.117 -0.068 0.185 -0.042 -0.024 0.066 -0.039 -0.023 0.062 42 C 13 -0.2918 -0.5975 0.7469 -0.1372 0.7989 0.5855 0.9466 -0.0684 0.3151 -8.0E-4 -3.0E-4 0.001 -0.413 -0.143 0.556 -0.148 -0.051 0.198 -0.138 -0.048 0.185 43 H 1 0.4156 0.9084 0.0457 -0.4564 0.1648 0.8744 0.7868 -0.3842 0.4831 -7.0E-4 -3.0E-4 0.001 -0.369 -0.155 0.525 -0.132 -0.055 0.187 -0.123 -0.052 0.175 44 H 1 0.3515 0.8056 -0.4768 -0.0912 0.5364 0.839 0.9317 -0.2515 0.262 -5.0E-4 -3.0E-4 8.0E-4 -0.282 -0.167 0.449 -0.1 -0.06 0.16 -0.094 -0.056 0.15 45 H 1 1.46938015e+00 1.60956696e+00 -1.18372032e-03 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 6 8 5 6 6 6 1 6 1 6 1 1 1 7 6 6 6 6 6 6 6 7 1 1 1 6 6 6 7 1 1 1 6 6 1 1 1 6 1 1 1 6 1 1 1 53 -0.002869882 -0.000620372 0.001724516 0.001874623 0.000983166 -0.001841301 0.000703246 0.001083467 -0.001550250 0.000227583 -0.000163090 0.000069102 -0.000132281 0.000233119 0.000110959 -0.000072980 -0.000572358 0.000365583 -0.000246701 -0.000234089 -0.000007643 -0.000008884 -0.000038587 0.000210178 -0.000238211 0.000069804 0.000303990 0.000509731 0.000357675 0.000087853 -0.000013191 0.000008704 -0.000158320 -0.000025119 0.000063634 -0.000055271 0.000006991 0.000025434 -0.000039956 -0.000179138 0.000521753 -0.001136497 0.000629389 0.000505206 0.000581562 0.001074674 -0.000878696 0.000479760 -0.000879176 -0.002109331 -0.000928992 -0.001161808 0.001489804 0.001539554 -0.000095955 -0.000514928 0.000302068 0.000353098 0.000233606 -0.000840117 -0.000760470 -0.000435929 -0.000218830 0.000066290 0.000958101 -0.000055093 0.000061321 0.000067769 0.000080139 0.000071518 0.000021393 0.000152625 -0.000025471 0.000049957 0.000072082 -0.000022284 -0.000312077 -0.000251449 0.000238701 -0.000209244 -0.000527276 -0.000012653 0.000329833 0.000171811 -0.000245940 0.000273636 -0.000881748 0.000151456 -0.000079400 0.000038018 0.000018725 -0.000077464 -0.000013768 0.000024433 -0.000064882 0.000058864 0.020469494 -0.014041102 0.033305100 0.013568618 0.015798305 -0.022494291 -0.016800620 0.010474469 0.008125438 -0.010452726 -0.017132579 -0.007438703 0.010697994 -0.007696319 0.018011610 -0.023379874 0.019559072 0.001756838 -0.005157963 -0.017733228 -0.010851277 0.015634317 0.007181395 -0.012866520 0.011013694 -0.007752651 0.017837550 -0.014635760 -0.018307399 -0.019576782 0.014400622 0.012532679 -0.009838885 -0.012774151 0.015335190 0.007744385 0.010911794 -0.007379070 0.018057855 -0.012517071 0.008195626 -0.019614467 0.033305100 0.008270007 (Enter /usr/local/CompChem/Gaussian/g16/l716.exe) 0.7896 0.7895 0.7896 0.7897 0.7898 0.7898 0.7898 0.7898 0.7898 0.7898 0.7898 0.7898 0.7898 0.7898 0.7898 0.7898 0.7898 0.7898 0.7897 0.7897 0.7894 0.7903 0.7897 0.7899 0.7903 0.7901 0.7904 0.7894 0.7917 0.7921 0.7908 0.7920 0.7912 0.7906 0.7906 0.7903 0.7905 0.7904 0.7902 0.7902 0.7901 0.7901 0.7900 0.7901 0.7901 0.7901 0.7901 0.7901 0.7901 0.7900 0.7901 0.7901 0.7901 0.7901 0.7901 0.7901 0.7901 0.7901 0.7901 0.7901 0.7901 0.7901 open 1 1 1 -1335.23443622137 -1335.23445104042 -0.000014819051 -1335.23445214049 -0.000001100078 -1335.23445219282 -0.000000052324 -1335.23445220602 -0.000000013197 -1335.23445220807 -0.000000002052 -1335.23445220879 -0.000000000719 -1335.23445220911 -0.000000000327 -1335.23445220940 -0.000000000286 -1335.23445220954 -0.000000000146 -1335.23445220960 -0.000000000054 -1335.23445220962 -0.000000000025 -1335.23445221 12 0.7901 1.139772389005e+03 -8.218709055360e+03 3.153005661460e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1572345582 LenY= 1572092070 Requested convergence on RMS density matrix=1.00D-08 within 32 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. 0.7901 (Enter /usr/local/CompChem/Gaussian/g16/l716.exe) 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 C O B C C C H C H C H H H N C C C C C C C N H H H C C C N H H H C C H H H C H H H C H H H I 13 17 11 13 13 13 1 13 1 13 1 1 1 14 13 13 13 13 13 13 13 14 1 1 1 13 13 13 14 1 1 1 13 13 1 1 1 13 1 1 1 13 1 1 1 127 -0.01415 0.03953 0.04859 0.03712 0.03731 -0.02856 -0.00292 -0.02853 -0.00289 0.04217 0.00129 0.00130 -0.00346 -0.05806 0.01561 0.01442 -0.03178 -0.03288 -0.01340 0.01532 -0.01351 0.01673 0.00063 -0.00122 0.00064 -0.01450 0.01668 -0.01450 0.01935 0.00067 0.00067 -0.00133 -0.00010 0.00009 0.00000 0.00001 -0.00001 0.00013 -0.00001 0.00003 0.00001 0.00016 0.00003 0.00000 -0.00001 0.00000 -15.90602 -23.96372 69.69421 41.72610 41.94395 -32.10160 -13.03840 -32.06830 -12.90432 47.40894 5.76897 5.79169 -15.47721 -18.75796 17.54463 16.21578 -35.72650 -36.96117 -15.06626 17.21799 -15.18338 5.40592 2.80966 -5.47497 2.84850 -16.29688 18.74737 -16.30313 6.25208 3.00425 3.01501 -5.96690 -0.11627 0.09767 0.00315 0.04089 -0.02747 0.15033 -0.03219 0.11638 0.04907 0.17692 0.15627 0.00647 -0.04006 0.00330 -5.67566 -8.55085 24.86863 14.88891 14.96664 -11.45465 -4.65242 -11.44277 -4.60458 16.91669 2.05851 2.06662 -5.52265 -6.69331 6.26036 5.78619 -12.74810 -13.18867 -5.37602 6.14381 -5.41781 1.92897 1.00256 -1.95360 1.01642 -5.81513 6.68953 -5.81736 2.23090 1.07199 1.07583 -2.12914 -0.04149 0.03485 0.00112 0.01459 -0.00980 0.05364 -0.01149 0.04153 0.01751 0.06313 0.05576 0.00231 -0.01429 0.00118 -5.30568 -7.99344 23.24749 13.91833 13.99100 -10.70794 -4.34914 -10.69683 -4.30442 15.81392 1.92432 1.93190 -5.16264 -6.25698 5.85226 5.40900 -11.91708 -12.32892 -5.02556 5.74330 -5.06463 1.80322 0.93720 -1.82625 0.95016 -5.43605 6.25345 -5.43814 2.08547 1.00211 1.00570 -1.99034 -0.03878 0.03258 0.00105 0.01364 -0.00916 0.05015 -0.01074 0.03882 0.01637 0.05901 0.05213 0.00216 -0.01336 0.00110 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 0.005096 0.034551 -0.020042 -0.025733 -0.011038 0.014113 -0.002121 0.011243 -0.004142 -0.021542 0.003052 0.002359 0.012682 0.007258 0.007605 0.005818 0.005643 -0.002298 -0.001981 -0.000062 0.000477 0.005966 -0.001613 -0.000199 0.001038 -0.005735 0.008148 -0.005812 -0.003624 -0.002565 -0.000847 -0.003604 0.000413 0.000165 -0.000023 0.000232 0.000232 0.001264 0.000835 0.002191 0.000919 0.000113 0.000359 -0.000260 0.000275 0.000096 -0.002357 -0.200773 -0.116940 -0.092993 -0.093479 0.040049 0.002780 0.042909 0.008861 -0.117845 -0.002507 -0.000481 -0.015792 0.060955 -0.047656 -0.043410 0.014200 0.012757 0.025460 -0.040214 0.023782 -0.057424 0.004062 0.001725 -0.000132 0.028943 -0.043620 0.028493 -0.066794 0.005155 0.001725 0.005556 -0.001217 -0.000465 -0.000417 -0.000484 -0.000372 -0.001584 -0.000990 -0.002393 -0.000811 -0.000829 -0.000476 -0.000377 -0.000185 -0.002568 -0.002739 0.166223 0.136982 0.118726 0.104517 -0.054163 -0.000659 -0.054152 -0.004719 0.139387 -0.000545 -0.001878 0.003110 -0.068213 0.040051 0.037592 -0.019842 -0.010458 -0.023479 0.040276 -0.024259 0.051458 -0.002448 -0.001526 -0.000906 -0.023208 0.035472 -0.022681 0.070418 -0.002591 -0.000878 -0.001952 0.000804 0.000300 0.000440 0.000252 0.000140 0.000320 0.000155 0.000202 -0.000107 0.000716 0.000117 0.000637 -0.000090 0.002471 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 -0.001677 -0.046419 -0.013848 0.031328 0.027329 -0.009323 0.008528 -0.016230 -0.006889 0.028237 0.001352 -0.003607 -0.003681 -0.008238 -0.010026 -0.009690 0.003134 0.003802 0.007115 -0.007414 0.008917 -0.016750 0.002396 0.005255 0.002333 0.001043 -0.009340 0.004729 -0.006746 0.000300 -0.002146 -0.003213 0.000033 0.000162 0.000156 0.000028 0.000216 0.000155 -0.000289 0.000144 0.000410 0.001075 0.002374 0.000650 0.000891 -0.001377 -0.012964 0.303481 0.160470 0.128844 0.137337 -0.065254 -0.002871 -0.064664 0.001398 0.156194 -0.004187 -0.002823 -0.007263 -0.074783 0.071704 0.064335 -0.016421 -0.019058 -0.032816 0.060360 -0.037148 0.092614 -0.000164 0.000702 -0.001634 -0.040283 0.069630 -0.036310 0.100517 0.000095 -0.001083 0.002256 0.001363 0.000701 0.000618 0.000641 0.000563 0.001624 0.001007 0.001712 0.000878 0.001632 0.002004 0.001000 0.000832 0.003431 0.002440 -0.057733 -0.022445 0.050096 0.045568 -0.020267 -0.005953 -0.016547 0.002828 0.049879 -0.000921 0.001649 0.005180 -0.016599 -0.010071 -0.014887 0.009426 -0.000064 0.007437 -0.015065 0.006106 -0.024384 -0.000609 -0.003414 -0.001369 0.007450 -0.008182 0.005279 -0.009368 0.000611 0.002032 0.003249 0.000312 0.000141 0.000254 0.000008 0.000227 0.000265 -0.000215 0.000469 0.000377 0.001258 0.002097 0.001233 0.000830 -0.001395 0.5852 -0.0973 0.805 0.185 0.9826 -0.0157 0.7895 -0.1581 -0.593 -0.0125 -0.0027 0.0152 -1.672 -0.364 2.036 -0.597 -0.13 0.726 -0.558 -0.121 0.679 1 C 13 0.7521 -0.1801 -0.634 0.2143 0.9765 -0.0231 0.6233 -0.1185 0.773 -0.2102 -0.2096 0.4198 15.208 15.166 -30.374 5.427 5.412 -10.838 5.073 5.059 -10.132 2 O 17 0.84 -0.1019 -0.533 0.1256 0.992 0.0083 0.5279 -0.0739 0.8461 -0.1202 -0.1189 0.2391 -20.578 -20.354 40.932 -7.343 -7.263 14.606 -6.864 -6.789 13.654 3 B 11 -0.415 0.9091 0.0354 0.7622 0.3686 -0.5321 0.4968 0.1939 0.8459 -0.1053 -0.1005 0.2059 -14.136 -13.49 27.627 -5.044 -4.814 9.858 -4.715 -4.5 9.215 4 C 13 0.4754 0.7418 -0.4729 0.6917 -0.6474 -0.32 0.5436 0.175 0.8209 -0.105 -0.1002 0.2052 -14.092 -13.44 27.532 -5.028 -4.796 9.824 -4.701 -4.483 9.184 5 C 13 0.509 0.1594 0.8459 -0.2766 0.9609 -0.0147 0.8151 0.2265 -0.5332 -0.0972 0.043 0.0542 -13.05 5.776 7.274 -4.656 2.061 2.596 -4.353 1.927 2.426 6 C 13 0.7313 -0.6474 -0.2148 0.4456 0.2151 0.869 0.5164 0.7312 -0.4457 -0.0088 -0.0036 0.0124 -4.71 -1.923 6.633 -1.681 -0.686 2.367 -1.571 -0.641 2.213 7 H 1 0.5218 0.159 0.8381 0.3946 0.826 -0.4024 0.7563 -0.5407 -0.3683 -0.0976 0.0432 0.0543 -13.091 5.799 7.292 -4.671 2.069 2.602 -4.367 1.934 2.432 8 C 13 0.7498 0.382 -0.5403 0.5425 0.1126 0.8325 -0.3788 0.9173 0.1229 -0.0087 -0.0034 0.0121 -4.62 -1.828 6.448 -1.649 -0.652 2.301 -1.541 -0.61 2.151 9 H 1 0.0673 0.9729 -0.2214 0.8555 -0.1704 -0.489 0.5135 0.1565 0.8437 -0.1272 -0.1165 0.2437 -17.075 -15.628 32.702 -6.093 -5.576 11.669 -5.696 -5.213 10.908 10 C 13 0.542 0.0498 0.8389 -0.1832 0.9812 0.0601 0.8202 0.1862 -0.5409 -0.0033 -0.0028 0.0061 -1.763 -1.502 3.266 -0.629 -0.536 1.165 -0.588 -0.501 1.089 11 H 1 0.5405 0.2142 0.8136 0.3371 0.8309 -0.4427 0.7708 -0.5136 -0.3769 -0.0033 -0.0028 0.0061 -1.771 -1.506 3.278 -0.632 -0.538 1.17 -0.591 -0.502 1.093 12 H 1 0.0652 0.9723 -0.2243 0.5148 0.1598 0.8423 0.8548 -0.1704 -0.4901 -0.0172 -3.0E-4 0.0176 -9.195 -0.185 9.38 -3.281 -0.066 3.347 -3.067 -0.062 3.129 13 H 1 0.5205 0.1036 0.8476 0.8492 -0.1663 -0.5011 0.089 0.9806 -0.1746 -0.1162 0.053 0.0632 -4.48 2.044 2.436 -1.599 0.729 0.869 -1.494 0.682 0.813 14 N 14 0.6455 0.6246 -0.4396 -0.4431 0.775 0.4506 0.6221 -0.0961 0.777 -0.0509 -0.0478 0.0987 -6.834 -6.412 13.246 -2.439 -2.288 4.726 -2.28 -2.139 4.418 15 C 13 -0.3789 0.8179 0.4331 0.6959 0.5603 -0.4492 0.61 -0.1312 0.7814 -0.0468 -0.0435 0.0903 -6.281 -5.839 12.119 -2.241 -2.083 4.324 -2.095 -1.948 4.043 16 C 13 0.4234 -0.2172 0.8795 0.8713 0.3636 -0.3296 -0.2482 0.9059 0.3432 -0.0301 0.0132 0.0169 -4.036 1.766 2.269 -1.44 0.63 0.81 -1.346 0.589 0.757 17 C 13 0.6312 -0.0606 0.7732 -0.5105 0.7181 0.473 0.584 0.6933 -0.4223 -0.026 0.01 0.016 -3.49 1.343 2.147 -1.245 0.479 0.766 -1.164 0.448 0.716 18 C 13 0.5835 -0.1363 0.8006 0.7632 -0.2449 -0.598 0.2776 0.9599 -0.0389 -0.0487 0.0214 0.0272 -6.53 2.878 3.652 -2.33 1.027 1.303 -2.178 0.96 1.218 19 C 13 -0.5826 0.6261 0.5182 0.5723 0.7688 -0.2855 0.5772 -0.1302 0.8062 -0.0458 -0.0401 0.0859 -6.144 -5.386 11.53 -2.192 -1.922 4.114 -2.049 -1.797 3.846 20 C 13 0.5846 -0.1326 0.8004 -0.4221 0.7928 0.4396 0.6928 0.5949 -0.4075 -0.0524 0.0224 0.03 -7.032 3.008 4.024 -2.509 1.073 1.436 -2.346 1.004 1.342 21 C 13 0.7104 -0.3299 -0.6217 0.3541 0.9309 -0.0894 0.6083 -0.1566 0.7781 -0.0673 -0.0615 0.1288 -2.596 -2.37 4.966 -0.926 -0.846 1.772 -0.866 -0.791 1.656 22 N 14 -0.607 0.2881 0.7407 0.7175 -0.202 0.6666 0.3416 0.9361 -0.0841 -0.0026 -0.0024 0.005 -1.361 -1.302 2.663 -0.486 -0.465 0.95 -0.454 -0.434 0.888 23 H 1 -0.5898 0.612 0.5268 0.5785 -0.1349 0.8045 0.5635 0.7792 -0.2745 -0.0063 -4.0E-4 0.0067 -3.35 -0.239 3.589 -1.195 -0.085 1.281 -1.117 -0.08 1.197 24 H 1 -0.3866 0.8102 0.4405 0.582 -0.1562 0.7981 0.7154 0.5649 -0.4112 -0.002 -0.0018 0.0038 -1.062 -0.976 2.038 -0.379 -0.348 0.727 -0.354 -0.326 0.68 25 H 1 0.6232 -0.0758 0.7784 0.6639 0.5774 -0.4753 -0.4135 0.8129 0.4101 -0.0562 0.024 0.0322 -7.539 3.222 4.317 -2.69 1.15 1.54 -2.515 1.075 1.44 26 C 13 0.7401 0.3581 -0.5692 -0.2246 0.9294 0.2927 0.6339 -0.0888 0.7683 -0.0499 -0.0439 0.0939 -6.699 -5.896 12.595 -2.39 -2.104 4.494 -2.234 -1.967 4.201 27 C 13 0.62 -0.0874 0.7797 0.7772 -0.0679 -0.6256 0.1076 0.9939 0.0258 -0.0521 0.023 0.0291 -6.997 3.087 3.911 -2.497 1.101 1.395 -2.334 1.03 1.304 28 C 13 0.8208 0.0277 -0.5706 0.0089 0.9981 0.0613 0.5712 -0.0554 0.819 -0.0737 -0.0674 0.1412 -2.843 -2.601 5.444 -1.015 -0.928 1.943 -0.948 -0.867 1.816 29 N 14 -0.5483 -0.0441 0.8351 0.8354 -0.0759 0.5444 0.0394 0.9961 0.0784 -0.0027 -0.0025 0.0052 -1.433 -1.35 2.783 -0.511 -0.482 0.993 -0.478 -0.45 0.928 30 H 1 0.7204 0.5954 -0.3558 0.5341 -0.1488 0.8322 -0.4425 0.7895 0.4252 -0.0021 -0.0019 0.004 -1.113 -1.033 2.146 -0.397 -0.369 0.766 -0.371 -0.345 0.716 31 H 1 0.7439 0.3434 -0.5733 0.6313 -0.0797 0.7714 -0.2193 0.9358 0.2761 -0.0068 -4.0E-4 0.0073 -3.642 -0.235 3.878 -1.3 -0.084 1.384 -1.215 -0.079 1.293 32 H 1 0.1929 0.9447 -0.2652 0.7359 -0.3181 -0.5977 0.649 0.0799 0.7566 -0.0013 -7.0E-4 0.002 -0.174 -0.095 0.269 -0.062 -0.034 0.096 -0.058 -0.032 0.09 33 C 13 -0.4743 0.8399 0.2639 -0.5747 -0.5225 0.6299 0.6669 0.1471 0.7305 -5.0E-4 -5.0E-4 0.001 -0.069 -0.061 0.13 -0.025 -0.022 0.046 -0.023 -0.02 0.043 34 C 13 0.2123 0.8977 -0.3862 0.805 -0.3847 -0.4516 0.554 0.215 0.8043 -5.0E-4 -4.0E-4 9.0E-4 -0.261 -0.237 0.498 -0.093 -0.085 0.178 -0.087 -0.079 0.166 35 H 1 -0.1298 0.9862 0.1024 0.7006 0.1643 -0.6943 0.7016 0.0184 0.7123 -5.0E-4 -4.0E-4 9.0E-4 -0.26 -0.212 0.472 -0.093 -0.076 0.168 -0.087 -0.071 0.157 36 H 1 -0.0103 0.938 -0.3466 0.7052 -0.2389 -0.6675 0.7089 0.2513 0.659 -5.0E-4 -4.0E-4 8.0E-4 -0.244 -0.199 0.444 -0.087 -0.071 0.158 -0.082 -0.066 0.148 37 H 1 0.0426 0.9845 -0.17 -0.6033 0.161 0.7811 0.7964 0.0693 0.6008 -0.0016 -9.0E-4 0.0025 -0.218 -0.118 0.336 -0.078 -0.042 0.12 -0.073 -0.039 0.112 38 C 13 0.1035 0.9904 0.0912 -0.585 -0.0136 0.8109 0.8044 -0.1373 0.578 -0.001 -6.0E-4 0.0016 -0.555 -0.303 0.858 -0.198 -0.108 0.306 -0.185 -0.101 0.286 39 H 1 0.0424 0.9792 -0.1983 -0.5049 0.1923 0.8415 0.8622 0.0644 0.5025 -0.0025 -7.0E-4 0.0032 -1.324 -0.383 1.707 -0.473 -0.137 0.609 -0.442 -0.128 0.57 40 H 1 -0.0265 0.9264 -0.3756 -0.5441 0.3018 0.7829 0.8386 0.2251 0.4961 -0.001 -6.0E-4 0.0015 -0.521 -0.305 0.826 -0.186 -0.109 0.295 -0.174 -0.102 0.276 41 H 1 -0.3087 0.9094 -0.2788 0.7505 0.0528 -0.6587 0.5843 0.4127 0.6988 -0.0016 -0.0012 0.0028 -0.212 -0.167 0.379 -0.076 -0.06 0.135 -0.071 -0.056 0.126 42 C 13 -0.4693 0.8311 -0.2985 -0.6344 -0.0822 0.7686 0.6142 0.5501 0.5658 -0.0026 -0.0018 0.0043 -1.371 -0.94 2.311 -0.489 -0.335 0.825 -0.457 -0.314 0.771 43 H 1 0.0403 0.8199 -0.571 0.8895 -0.2898 -0.3533 0.4552 0.4937 0.741 -0.0012 -9.0E-4 0.0021 -0.642 -0.463 1.106 -0.229 -0.165 0.395 -0.214 -0.155 0.369 44 H 1 -0.1979 0.8035 -0.5615 0.7384 -0.2545 -0.6245 0.6447 0.5382 0.5429 -0.001 -7.0E-4 0.0017 -0.525 -0.392 0.918 -0.187 -0.14 0.327 -0.175 -0.131 0.306 45 H 1 PT134926.100S 2024-07-23T23:00:56.000 -19.23018 -14.52585 -14.44112 -14.43691 -10.37295 -10.35932 -10.35221 -10.35198 -10.33993 -10.33724 -10.33649 -10.32887 -10.32775 -10.32210 -10.31966 -10.31514 -10.31293 -10.30826 -10.30560 -10.30402 -10.30207 -10.30187 -10.30164 -10.29662 -6.93659 -6.85243 -4.95820 -4.94428 -4.94416 -1.99200 -1.98786 -1.98776 -1.97592 -1.97591 -1.12000 -1.08632 -1.03575 -1.03252 -0.92986 -0.92323 -0.90300 -0.89573 -0.87997 -0.87313 -0.84538 -0.78881 -0.78582 -0.76486 -0.76303 -0.75392 -0.75166 -0.72699 -0.72213 -0.69602 -0.67390 -0.63835 -0.62999 -0.61790 -0.61023 -0.59818 -0.58582 -0.58083 -0.56582 -0.56063 -0.55133 -0.54684 -0.54342 -0.53658 -0.53587 -0.52924 -0.52246 -0.51549 -0.50519 -0.49180 -0.49062 -0.48265 -0.48092 -0.47905 -0.47832 -0.46811 -0.46672 -0.46067 -0.45650 -0.45448 -0.43126 -0.43072 -0.42084 -0.41383 -0.37617 -0.37391 -0.36826 -0.36583 -0.35849 -0.34143 -0.33209 -0.32987 -0.31937 -0.31893 -0.31633 -0.21009 -0.02400 0.00947 0.03433 0.03892 0.04540 0.05508 0.12390 0.12917 0.13491 0.13724 0.15637 0.16083 0.17702 0.18165 0.18586 0.18732 0.18937 0.19160 0.19388 0.19649 0.20447 0.20827 0.21831 0.22478 0.23152 0.23472 0.23720 0.24426 0.25190 0.25406 0.26007 0.26318 0.27594 0.28337 0.29002 0.29759 0.30434 0.30883 0.31457 0.32577 0.32884 0.34293 0.34512 0.35417 0.35867 0.36425 0.37194 0.37280 0.37525 0.39423 0.40001 0.40408 0.40802 0.41017 0.42759 0.43531 0.43577 0.45083 0.45897 0.45958 0.46058 0.46611 0.47803 0.48040 0.48872 0.49735 0.50132 0.50415 0.51634 0.52002 0.52607 0.52880 0.53237 0.54207 0.54613 0.55350 0.55796 0.56319 0.56968 0.57366 0.57909 0.58167 0.59055 0.59260 0.60321 0.62311 0.63126 0.63625 0.63768 0.64523 0.65350 0.65724 0.66687 0.67087 0.67269 0.67769 0.68237 0.69188 0.69300 0.70035 0.70355 0.71044 0.71246 0.71931 0.72104 0.72850 0.73024 0.73429 0.74048 0.74321 0.74431 0.74883 0.75029 0.75387 0.75934 0.76528 0.77282 0.77467 0.78013 0.78101 0.78558 0.78787 0.79246 0.79592 0.79742 0.80417 0.80979 0.81331 0.81924 0.82300 0.82579 0.83251 0.83778 0.84179 0.84541 0.85535 0.85981 0.86812 0.87444 0.87804 0.88945 0.89671 0.90313 0.91694 0.92028 0.93211 0.94145 0.96027 0.97320 0.97964 1.00702 1.00884 1.02949 1.04640 1.04965 1.05919 1.08601 1.09092 1.11564 1.12028 1.13085 1.13780 1.14839 1.16190 1.16598 1.16963 1.18904 1.19255 1.20426 1.21122 1.23059 1.23564 1.23970 1.25087 1.26924 1.28126 1.28736 1.29460 1.29979 1.30589 1.30783 1.31901 1.32926 1.33629 1.34238 1.34540 1.35670 1.36280 1.36647 1.37450 1.38378 1.39660 1.39699 1.40836 1.41415 1.42063 1.44875 1.45878 1.47449 1.50995 1.51929 1.52563 1.54969 1.55272 1.55780 1.58882 1.59390 1.60211 1.61483 1.62152 1.62729 1.64408 1.66727 1.67165 1.70224 1.70715 1.71685 1.73290 1.75180 1.75915 1.76807 1.77324 1.78517 1.78904 1.79398 1.79721 1.80195 1.81213 1.81776 1.83211 1.83558 1.83751 1.84361 1.84460 1.84791 1.85614 1.86019 1.86259 1.86550 1.87143 1.88185 1.88488 1.89467 1.90052 1.91460 1.91556 1.91796 1.92512 1.93497 1.94453 1.95370 1.96670 1.96819 1.97790 1.99567 2.00033 2.01237 2.01487 2.01828 2.02544 2.02859 2.03211 2.03413 2.04982 2.05746 2.07096 2.07915 2.08959 2.09852 2.10340 2.11245 2.12277 2.12950 2.15225 2.15533 2.18444 2.19896 2.20482 2.21183 2.21630 2.22555 2.24348 2.25515 2.26990 2.28584 2.28767 2.29421 2.30082 2.30530 2.31382 2.32495 2.35729 2.36369 2.38236 2.38639 2.39355 2.40600 2.41932 2.43148 2.44680 2.46773 2.47301 2.47385 2.47730 2.47949 2.49262 2.49902 2.50828 2.51779 2.52114 2.53762 2.54116 2.54540 2.58762 2.61192 2.62153 2.63031 2.66301 2.66590 2.67061 2.67725 2.68475 2.70934 2.71956 2.72588 2.73395 2.74928 2.75981 2.78597 2.79404 2.79789 2.80884 2.81529 2.82488 2.82816 2.83248 2.83923 2.85986 2.86868 2.90409 2.91439 2.94449 2.94530 2.95021 2.98535 3.00504 3.00768 3.02160 3.02477 3.04920 3.05585 3.05890 3.07316 3.08681 3.10165 3.11561 3.15351 3.16037 3.18743 3.19380 3.20937 3.22548 3.24173 3.24470 3.38648 3.44684 3.48397 3.49645 3.67223 3.72975 3.76313 3.77107 18.91785 19.08909 19.32282 56.73358 -19.22760 -14.52746 -14.43993 -14.43581 -10.37327 -10.35932 -10.34990 -10.34967 -10.34061 -10.33712 -10.33453 -10.33015 -10.32903 -10.32287 -10.32042 -10.31579 -10.31353 -10.30718 -10.30462 -10.30290 -10.30207 -10.30164 -10.30084 -10.29661 -6.93655 -6.84927 -4.95818 -4.94422 -4.94413 -1.99198 -1.98783 -1.98774 -1.97587 -1.97587 -1.11527 -1.08561 -1.03428 -1.03120 -0.92741 -0.92321 -0.90062 -0.89429 -0.87680 -0.87143 -0.84460 -0.78880 -0.78581 -0.76316 -0.75976 -0.75124 -0.74988 -0.72402 -0.72081 -0.69596 -0.67182 -0.63684 -0.62993 -0.61705 -0.60682 -0.59658 -0.58264 -0.58041 -0.56554 -0.55989 -0.54994 -0.54629 -0.54152 -0.53636 -0.53494 -0.52603 -0.51955 -0.51027 -0.50339 -0.49094 -0.48842 -0.48247 -0.47986 -0.47810 -0.47748 -0.46529 -0.46237 -0.45871 -0.45464 -0.45333 -0.43101 -0.43029 -0.41622 -0.40542 -0.37559 -0.36631 -0.36175 -0.36005 -0.34507 -0.33834 -0.32896 -0.32746 -0.31881 -0.31678 -0.31465 -0.03179 0.00044 0.02167 0.03952 0.03998 0.05363 0.05899 0.12404 0.13653 0.14041 0.15109 0.15665 0.16102 0.17680 0.18289 0.18680 0.18903 0.19093 0.19250 0.19443 0.19818 0.20500 0.20832 0.21936 0.22920 0.23219 0.23476 0.23746 0.24485 0.25212 0.25470 0.26187 0.26371 0.27730 0.28434 0.29045 0.29892 0.30817 0.31194 0.31474 0.32704 0.32970 0.34434 0.34666 0.35532 0.36011 0.37083 0.37311 0.37358 0.37661 0.39656 0.40142 0.40521 0.40984 0.41240 0.42811 0.43593 0.44031 0.45127 0.46038 0.46119 0.46644 0.47031 0.47823 0.48406 0.48995 0.49852 0.50247 0.50432 0.51771 0.52038 0.52819 0.53002 0.53301 0.54287 0.54807 0.55383 0.55867 0.56561 0.57069 0.57499 0.58096 0.58241 0.59001 0.59213 0.60328 0.62385 0.63020 0.63534 0.64192 0.64641 0.65480 0.65858 0.66810 0.67222 0.67432 0.67899 0.68404 0.69259 0.69466 0.70056 0.70410 0.71170 0.71278 0.71918 0.72080 0.72933 0.73111 0.73514 0.74079 0.74364 0.74521 0.74972 0.75100 0.75446 0.76072 0.76592 0.77350 0.77509 0.77984 0.78181 0.78617 0.78928 0.79341 0.79676 0.79787 0.80482 0.81049 0.81370 0.82053 0.82360 0.82674 0.83382 0.83863 0.84286 0.84612 0.85657 0.86035 0.86867 0.87569 0.87825 0.89028 0.89742 0.90405 0.91824 0.92160 0.93362 0.94322 0.96286 0.97379 0.98103 1.00806 1.01025 1.02992 1.04732 1.05341 1.06039 1.09098 1.09635 1.11827 1.12126 1.13243 1.13952 1.15014 1.16475 1.16812 1.17552 1.19239 1.20030 1.20521 1.21276 1.23249 1.23700 1.24165 1.25154 1.27105 1.28336 1.28911 1.29586 1.30148 1.30723 1.30979 1.32165 1.33172 1.33719 1.34319 1.34647 1.35858 1.36351 1.36775 1.37501 1.38491 1.39808 1.39870 1.41027 1.41858 1.42213 1.45136 1.46354 1.47519 1.51170 1.52126 1.52753 1.55080 1.55584 1.55824 1.59406 1.60237 1.60600 1.61488 1.62169 1.62819 1.64642 1.66750 1.67181 1.70610 1.70867 1.71778 1.73408 1.75345 1.75996 1.76830 1.77502 1.78555 1.78982 1.79565 1.79843 1.80340 1.81456 1.81814 1.83499 1.83703 1.83853 1.84416 1.84695 1.84989 1.85675 1.86155 1.86482 1.86769 1.87391 1.88265 1.88540 1.89490 1.90092 1.91521 1.91572 1.91862 1.92627 1.93511 1.94548 1.95438 1.96755 1.96845 1.98044 1.99597 2.00080 2.01278 2.01494 2.02000 2.02768 2.02986 2.03280 2.03547 2.05080 2.05960 2.07286 2.07938 2.09400 2.10054 2.10467 2.11471 2.12353 2.13307 2.15291 2.15611 2.18678 2.20056 2.20633 2.21137 2.21658 2.22734 2.24362 2.25515 2.27011 2.28585 2.28915 2.29459 2.30108 2.30868 2.31522 2.32706 2.35809 2.36472 2.38406 2.38789 2.39700 2.40754 2.42221 2.43400 2.44684 2.46946 2.47341 2.47434 2.47810 2.48072 2.49458 2.50131 2.50995 2.51945 2.52199 2.53814 2.54165 2.54711 2.58901 2.61261 2.62155 2.63033 2.66409 2.66813 2.67191 2.67929 2.68596 2.70939 2.72232 2.72648 2.73593 2.74977 2.76079 2.78733 2.79522 2.79816 2.80957 2.82084 2.82574 2.83117 2.83467 2.83947 2.86061 2.87410 2.90641 2.91669 2.94459 2.94644 2.95059 2.98675 3.00518 3.00877 3.02164 3.02479 3.04993 3.05619 3.05990 3.07344 3.08748 3.10213 3.11612 3.15353 3.16038 3.18848 3.19480 3.21043 3.22668 3.24532 3.24895 3.38710 3.44807 3.48503 3.49737 3.67271 3.73114 3.76549 3.77168 18.91790 19.08919 19.32287 56.73360 2-A. 1.95343250e+00 2.09576352e-01 -9.93533221e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 4.9651 0.5327 -2.5253 5.5958 -167.9909 -154.0082 -171.1602 6.2219 -5.2674 2.3189 -3.6045 10.3783 -6.7738 6.2219 -5.2674 2.3189 140.5793 -28.0613 82.1958 -12.0595 -39.7884 3.2826 67.5515 -9.7255 29.8448 14.3904 -5757.3224 -3407.5686 -3254.2151 78.4051 65.5292 -47.2492 -48.1963 -30.5395 -83.9953 -1435.3697 -1408.5496 -1176.4485 -27.9874 -44.3115 -9.0857 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 2-A -1335.2344522 0.790068 0. 0.751472 6.055E-9 7.597E-7 -0.9878653,1.8092287,-0.8213634,3.1206868,-0.7761491,8.5407713 C01 [X(C20H20B1I1N3O1)] 2.1382721 0.5021526 0.1502141 0.000000968 0.000000443 -0.000000245 -0.000000405 0.000000473 0.000000104 0.000000647 0.000000450 0.000000343 0.000000501 0.000000068 0.000000435 0.000000285 0.000000431 0.000000369 0.000000744 0.000000828 -0.000000136 -0.000000658 0.000000654 -0.000000782 -0.000000033 -0.000000526 0.000000409 0.000000019 0.000000088 0.000001046 -0.000000362 -0.000000600 0.000000189 -0.000000265 0.000000076 -0.000000336 0.000000487 -0.000000224 0.000000543 0.000000033 0.000000116 0.000000098 0.000001515 0.000000247 -0.000000570 -0.000000413 0.000000134 0.000000396 -0.000000725 0.000001355 -0.000000221 -0.000000349 0.000001054 0.000001237 -0.000000198 0.000000202 -0.000000469 -0.000000230 0.000000326 -0.000001328 -0.000001213 0.000001550 -0.000000234 0.000001131 0.000002231 -0.000000521 -0.000002219 -0.000000737 -0.000001000 -0.000000439 0.000001459 0.000000017 -0.000000722 0.000001545 -0.000001170 -0.000000603 0.000001103 -0.000000892 0.000001861 -0.000000417 0.000001155 -0.000000036 0.000000029 0.000000793 0.000000634 0.000000109 0.000000389 0.000000013 0.000000004 0.000000872 0.000000397 0.000000822 0.000000759 0.000000535 -0.000000038 0.000001089 0.000000596 0.000000158 0.000001066 -0.000001282 -0.000000532 -0.000000713 0.000000192 -0.000001530 -0.000001462 -0.000000280 -0.000001312 -0.000000226 -0.000000316 -0.000001588 -0.000000586 0.000000099 -0.000001581 0.000000174 -0.000000463 -0.000000992 0.000000592 0.000000056 -0.000001048 -0.000000673 0.000000028 -0.000000551 -0.000000335 0.000000178 -0.000001008 -0.000000085 0.000000337 -0.000001015 0.000000419 0.000000182 -0.000000479 -0.000000504 0.000000057 -0.000000440 0.000000440 0.000000305 -0.000000798 0.000000343 -0.000000591 -0.000000534 -0.000000786 435.94896999999986 AuxInfo=1/0/N:10,6,8,20,27,19,28,21,26,4,5,16,15,1,17,18,3,22,29,14,2;34,38,42,33,46/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(15,16)(18,19);(1,2,3)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,18.2,19.2,21.1;/rA:46nC3O1BC3C3C3HC3HC3HHHNC3C3C3C3C3C3C3N2HHHC3C3C3N2HHHCCHHHCHHHCHHHI/rB:s1;;;;s4;s4;s5;s5;s6s8;s6;s8;s10;s3s4s5;s1;s1;s3s16;s3s15;s16;s19;s20;s17s21;s19;s20;s21;;s26;s15s27;s18s26;s28;s26;s27;;s33;s34;s34;s34;s33;s38;s38;s38;s33;s42;s42;s42;s33;/rC:-3.5166,.1336,-.1844;-4.6924,-.0022,.1164;-.5961,.4106,-.8282;1.585,-.6156,-1.5087;1.6156,1.5939,-.7216;2.9554,-.5997,-1.6638;.9683,-1.4693,-1.7877;2.9867,1.6462,-.8611;1.0258,2.4211,-.324;3.6925,.5403,-1.3388;3.4403,-1.5002,-2.0426;3.4971,2.5712,-.5899;4.7771,.5662,-1.4541;.8888,.4703,-1.0356;-2.7304,1.2855,.3254;-2.8434,-.8357,-1.0832;-1.4668,-.7562,-1.4137;-1.3583,1.4854,.0223;-3.6288,-1.8702,-1.6045;-3.0547,-2.8041,-2.4484;-1.6927,-2.6608,-2.7325;-.9387,-1.6934,-2.2414;-4.6833,-1.9068,-1.3235;-3.6313,-3.625,-2.8774;-1.1919,-3.3774,-3.3943;-1.3897,3.4478,1.2805;-2.7353,3.3062,1.6322;-3.4072,2.2022,1.1373;-.7365,2.5866,.5202;-4.4602,2.0129,1.3559;-.8153,4.3096,1.6403;-3.2277,4.0441,2.2674;1.3213,-.8366,2.9962;1.4615,-1.432,4.3924;.4952,-1.476,4.9143;1.8894,-2.4442,4.364;2.139,-.7908,4.9824;2.6581,-.8099,2.2646;3.1109,-1.8096,2.2021;2.5571,-.4083,1.2472;3.3508,-.1539,2.8199;.6886,.5485,3.0404;.5865,.9898,2.04;-.3042,.5322,3.5121;1.3392,1.2118,3.6366;-.0382,-2.1594,1.8482; Gaussian 16 GINC-NODO01 BPR coments ES64L-G16RevC.02 132 C1[X(C20H20BIN3O)] UwB97XD def2SVP Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk UwB97XD/def2SVP 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 0 435.94896999999986 AuxInfo=1/0/N:10,6,8,20,27,19,28,21,26,4,5,16,15,1,17,18,3,22,29,14,2;34,38,42,33,46/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(15,16)(18,19);(1,2,3)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,18.2,19.2,21.1;/rA:46nC3O1BC3C3C3HC3HC3HHHNC3C3C3C3C3C3C3N2HHHC3C3C3N2HHHCCHHHCHHHCHHHI/rB:s1;;;;s4;s4;s5;s5;s6s8;s6;s8;s10;s3s4s5;s1;s1;s3s16;s3s15;s16;s19;s20;s17s21;s19;s20;s21;;s26;s15s27;s18s26;s28;s26;s27;;s33;s34;s34;s34;s33;s38;s38;s38;s33;s42;s42;s42;s33;/rC:-3.5166,.1336,-.1844;-4.6924,-.0022,.1164;-.5961,.4106,-.8282;1.585,-.6156,-1.5087;1.6156,1.5939,-.7216;2.9554,-.5997,-1.6638;.9683,-1.4693,-1.7877;2.9867,1.6462,-.8611;1.0258,2.4211,-.324;3.6925,.5403,-1.3388;3.4403,-1.5002,-2.0426;3.4971,2.5712,-.5899;4.7771,.5662,-1.4541;.8888,.4703,-1.0356;-2.7304,1.2855,.3254;-2.8434,-.8357,-1.0832;-1.4668,-.7562,-1.4137;-1.3583,1.4854,.0223;-3.6288,-1.8702,-1.6045;-3.0547,-2.8041,-2.4484;-1.6927,-2.6608,-2.7325;-.9387,-1.6934,-2.2414;-4.6833,-1.9068,-1.3235;-3.6313,-3.625,-2.8774;-1.1919,-3.3774,-3.3943;-1.3897,3.4478,1.2805;-2.7353,3.3062,1.6322;-3.4072,2.2022,1.1373;-.7365,2.5866,.5202;-4.4602,2.0129,1.3559;-.8153,4.3096,1.6403;-3.2277,4.0441,2.2674;1.3213,-.8366,2.9962;1.4615,-1.432,4.3924;.4952,-1.476,4.9143;1.8894,-2.4442,4.364;2.139,-.7908,4.9824;2.6581,-.8099,2.2646;3.1109,-1.8096,2.2021;2.5571,-.4083,1.2472;3.3508,-.1539,2.8199;.6886,.5485,3.0404;.5865,.9898,2.04;-.3042,.5322,3.5121;1.3392,1.2118,3.6366;-.0382,-2.1594,1.8482; coments 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 12 16 11 12 12 12 1 12 1 12 1 1 1 14 12 12 12 12 12 12 12 14 1 1 1 12 12 12 14 1 1 1 12 12 1 1 1 12 1 1 1 12 1 1 1 127 12.0000000 15.9949146 11.0093053 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 14.0030740 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 14.0030740 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 126.9004000 0 0 3 0 0 0 1 0 1 0 1 1 1 2 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 1 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 5 3.6000000 5.6000000 2.7500000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 4.5500000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 4.5500000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 5830.0000000 (Enter /usr/local/CompChem/Gaussian/g16/l101.exe) Structure from the checkpoint file: "17_adduct_tBuI.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 1 3 3 3 3 4 4 4 5 5 5 6 6 8 8 10 15 15 16 16 17 18 19 19 20 20 21 21 26 26 26 27 27 28 33 33 33 33 34 34 34 38 38 38 42 42 42 2 15 16 14 17 18 46 6 7 14 8 9 14 10 11 10 12 13 18 28 17 19 22 29 20 23 21 24 22 25 27 29 31 28 32 30 34 38 42 46 35 36 37 39 40 41 43 44 45 1.2213 1.4849 1.4834 1.5005 1.5692 1.5683 3.7523 1.3792 1.0895 1.3739 1.3792 1.091 1.3745 1.3959 1.0906 1.3962 1.0908 1.091 1.4192 1.3992 1.4179 1.3997 1.3573 1.3591 1.3834 1.0919 1.3987 1.0911 1.3212 1.0965 1.398 1.3215 1.0965 1.384 1.091 1.0919 1.5243 1.524 1.5234 2.2171 1.0992 1.0993 1.1038 1.0993 1.0985 1.1038 1.0983 1.0994 1.1039 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 2 2 15 14 14 14 17 17 18 6 6 7 8 8 9 4 4 10 5 5 10 6 6 8 3 3 4 1 1 18 1 1 17 3 3 16 3 3 15 16 16 20 19 19 21 20 20 22 17 27 27 29 26 26 28 15 15 27 18 34 34 34 38 38 42 33 33 33 35 35 36 33 33 33 39 39 40 33 33 33 43 43 44 1 1 1 3 3 3 3 3 3 4 4 4 5 5 5 6 6 6 8 8 8 10 10 10 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 26 26 26 27 27 27 28 28 28 29 33 33 33 33 33 33 34 34 34 34 34 34 38 38 38 38 38 38 42 42 42 42 42 42 15 16 16 17 18 46 18 46 46 7 14 14 9 14 14 10 11 11 10 12 12 8 13 13 4 5 5 18 28 28 17 19 19 16 22 22 15 29 29 20 23 23 21 24 24 22 25 25 21 29 31 31 28 32 32 27 30 30 26 38 42 46 42 46 46 35 36 37 36 37 37 39 40 41 40 41 41 43 44 45 44 45 45 120.759 120.9019 118.3331 121.8085 121.9168 88.7789 116.2483 80.754 98.9038 122.8619 122.2159 114.8773 123.0625 122.2454 114.6605 120.5257 118.1175 121.3566 120.4754 118.1756 121.3489 117.3566 121.3172 121.3261 121.1739 121.6139 117.1799 123.217 116.828 119.9545 123.0405 116.9993 119.9585 119.5612 121.6744 118.7626 119.2847 122.1103 118.5682 119.559 118.0866 122.3544 117.3127 121.8993 120.7876 123.727 120.0309 116.2418 120.6785 123.6774 120.0878 116.2347 117.2659 120.8204 121.913 119.6894 117.9785 122.3321 120.8374 111.4594 111.5125 107.3136 111.239 107.4451 107.627 111.6971 111.8261 108.6135 108.5216 107.9966 108.0501 111.8796 111.7407 108.6291 108.5226 108.09 107.8349 112.1811 111.9713 108.4989 108.2289 107.7755 108.0213 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A84 A85 3 3 46 46 33 33 13 13 -1 -2 120.5946 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 113.0499 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 2 2 16 16 2 2 15 15 17 17 18 18 46 46 14 14 18 18 46 46 14 14 17 17 46 46 14 14 14 17 17 17 18 18 18 7 7 14 14 6 6 7 7 9 9 14 14 8 8 9 9 4 4 11 11 5 5 12 12 1 1 28 28 1 1 18 18 1 1 19 19 1 1 17 17 3 16 3 15 16 16 23 23 19 19 24 24 20 25 29 29 31 31 27 31 26 26 32 32 38 38 38 42 42 42 46 46 46 34 34 34 42 42 42 46 46 46 34 34 34 38 38 38 46 46 46 1 1 1 1 1 1 1 1 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 6 6 8 8 8 8 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 17 17 18 18 19 19 19 19 20 20 20 20 21 21 26 26 26 26 26 26 27 27 27 27 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 15 15 15 15 16 16 16 16 14 14 14 14 14 14 17 17 17 17 17 17 18 18 18 18 18 18 33 33 33 33 33 33 33 33 33 6 6 6 6 14 14 14 14 8 8 8 8 14 14 14 14 10 10 10 10 10 10 10 10 18 18 18 18 28 28 28 28 17 17 17 17 19 19 19 19 22 22 29 29 20 20 20 20 21 21 21 21 22 22 27 27 27 27 29 29 28 28 28 28 34 34 34 34 34 34 34 34 34 38 38 38 38 38 38 38 38 38 42 42 42 42 42 42 42 42 42 18 28 18 28 17 19 17 19 4 5 4 5 4 5 16 22 16 22 16 22 15 29 15 29 15 29 34 38 42 34 38 42 34 38 42 10 11 10 11 3 5 3 5 10 12 10 12 3 4 3 4 8 13 8 13 6 13 6 13 3 29 3 29 27 30 27 30 3 22 3 22 20 23 20 23 21 21 26 26 21 24 21 24 22 25 22 25 17 17 28 32 28 32 18 18 15 30 15 30 35 36 37 35 36 37 35 36 37 39 40 41 39 40 41 39 40 41 43 44 45 43 44 45 43 44 45 179.2179 -1.0222 -1.6607 178.0993 -177.0651 2.4515 3.8147 -176.6687 -13.2173 168.9071 164.8453 -13.0303 65.1093 -112.7663 174.0066 -6.4827 -4.1599 175.3508 91.2667 -89.2226 -172.0321 5.729 6.1322 -176.1067 -77.8937 99.8674 -165.4414 -7.2958 107.2107 -47.2021 110.9436 -134.55 69.4802 -132.3741 -17.8677 177.4697 -2.7105 0.0299 179.8498 -177.7199 0.2465 4.6505 -177.3832 178.0564 -2.0116 0.2121 -179.856 177.5894 -0.3674 -0.4228 -178.3796 -0.1909 179.8496 179.9952 0.0356 0.0741 -179.9664 -179.8557 0.1039 -3.3492 178.8101 176.898 -0.9427 -179.261 0.6908 0.5073 -179.541 -0.7237 179.7513 179.7734 0.2485 -179.9888 -0.0271 -0.4565 179.5051 -179.4031 0.1113 -177.1536 0.6229 0.3051 -179.9196 -179.6548 0.1205 0.0571 179.8575 -179.7207 0.0796 -0.2709 179.9218 -0.5814 179.7117 179.5082 -0.1987 0.1425 -179.9439 0.2306 -179.719 179.9341 -0.0156 -178.6006 -56.7545 62.3947 56.4165 178.2627 -62.5882 -61.2169 60.6292 179.7784 56.4456 178.3628 -62.7957 -178.419 -56.5018 62.3397 -60.8585 61.0587 179.9001 179.7433 -58.3352 60.7925 54.6376 176.5591 -64.3132 -62.8124 59.1091 178.2367 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00067 0.00113 0.00212 0.00305 0.00413 0.00441 0.00490 0.00621 0.00744 0.00931 0.01339 0.01398 0.01561 0.01703 0.01728 0.01790 0.01855 0.01922 0.02049 0.02062 0.02209 0.02218 0.02329 0.02385 0.02413 0.02463 0.02729 0.02765 0.02819 0.02886 0.02910 0.02935 0.03069 0.03077 0.03819 0.03938 0.03942 0.04330 0.04378 0.04463 0.04514 0.04535 0.04628 0.04631 0.06138 0.07384 0.09472 0.10479 0.10675 0.10696 0.10748 0.10942 0.11493 0.11667 0.11735 0.11986 0.12110 0.12144 0.12449 0.12635 0.12774 0.13268 0.13275 0.13555 0.14137 0.14228 0.14666 0.14678 0.15194 0.15770 0.15938 0.16466 0.18954 0.19045 0.19484 0.19913 0.20253 0.20501 0.21134 0.21438 0.21879 0.21950 0.22404 0.23023 0.23350 0.26589 0.27474 0.28574 0.29823 0.30380 0.30486 0.30814 0.33161 0.33601 0.33655 0.33868 0.34685 0.34775 0.34805 0.34831 0.34868 0.35110 0.35328 0.35679 0.35992 0.36251 0.36592 0.36675 0.36723 0.36810 0.36885 0.36904 0.36970 0.37962 0.39034 0.41386 0.41808 0.43591 0.44148 0.44656 0.46547 0.46745 0.47266 0.47386 0.51625 0.52149 0.52459 0.54396 0.57149 0.57713 0.70688 0.83641 Angle between quadratic step and forces= 77.06 degrees. 1 2 0.00004034 0.00000000 0.00000000 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 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 2.30791 2.80605 2.80314 2.83553 2.96538 2.96362 7.09077 2.60632 2.05886 2.59633 2.60630 2.06161 2.59739 2.63785 2.06097 2.63843 2.06122 2.06165 2.68197 2.64406 2.67954 2.64499 2.56489 2.56840 2.61427 2.06335 2.64308 2.06181 2.49679 2.07209 2.64184 2.49734 2.07200 2.61533 2.06172 2.06341 2.88057 2.88000 2.87883 4.18977 2.07719 2.07736 2.08585 2.07742 2.07583 2.08594 2.07540 2.07747 2.08614 2.10764 2.11014 2.06530 2.12596 2.12785 1.54948 2.02892 1.40942 1.72620 2.14434 2.13307 2.00499 2.14785 2.13358 2.00120 2.10357 2.06154 2.11807 2.10269 2.06255 2.11794 2.04826 2.11738 2.11754 2.11488 2.12256 2.04518 2.15054 2.03903 2.09360 2.14746 2.04202 2.09367 2.08674 2.12362 2.07280 2.08191 2.13123 2.06941 2.08670 2.06100 2.13549 2.04749 2.12754 2.10814 2.15944 2.09493 2.02880 2.10624 2.15858 2.09593 2.02868 2.04668 2.10871 2.12778 2.08897 2.05911 2.13510 2.10901 1.94533 1.94626 1.87298 1.94149 1.87527 1.87845 1.94948 1.95173 1.89566 1.89406 1.88490 1.88583 1.95267 1.95024 1.89594 1.89408 1.88653 1.88207 1.95793 1.95427 1.89366 1.88895 1.88104 1.88533 2.10477 1.97309 3.12794 -0.01784 -0.02898 3.10842 -3.09037 0.04279 0.06658 -3.08345 -0.23069 2.94799 2.87709 -0.22742 1.13637 -1.96814 3.03699 -0.11314 -0.07260 3.06045 1.59290 -1.55723 -3.00253 0.09999 0.10703 -3.07364 -1.35950 1.74302 -2.88750 -0.12734 1.87118 -0.82383 1.93633 -2.34834 1.21266 -2.31036 -0.31185 3.09743 -0.04731 0.00052 3.13897 -3.10180 0.00430 0.08117 -3.09592 3.10767 -0.03511 0.00370 -3.13908 3.09952 -0.00641 -0.00738 -3.11331 -0.00333 3.13897 3.14151 0.00062 0.00129 -3.14101 -3.13907 0.00181 -0.05845 3.12082 3.08745 -0.01645 -3.12869 0.01206 0.00885 -3.13358 -0.01263 3.13725 3.13764 0.00434 -3.14140 -0.00047 -0.00797 3.13296 -3.13118 0.00194 -3.09191 0.01087 0.00533 -3.14019 -3.13557 0.00210 0.00100 3.13911 -3.13672 0.00139 -0.00473 3.14023 -0.01015 3.13656 3.13301 -0.00347 0.00249 -3.14061 0.00402 -3.13669 3.14044 -0.00027 -3.11717 -0.99055 1.08899 0.98465 3.11127 -1.09237 -1.06844 1.05818 3.13772 0.98516 3.11302 -1.09599 -3.11400 -0.98614 1.08803 -1.06218 1.06567 3.13985 3.13711 -1.01814 1.06103 0.95361 3.08154 -1.12248 -1.09628 1.03165 3.11082 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00009 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 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 0.00003 -0.00001 -0.00001 -0.00001 0.00001 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 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 -0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00004 0.00004 -0.00001 -0.00001 -0.00002 -0.00002 0.00002 0.00002 0.00002 0.00002 0.00003 0.00004 0.00004 0.00004 0.00003 0.00004 0.00001 0.00000 0.00000 -0.00000 -0.00002 -0.00002 -0.00000 -0.00001 0.00000 -0.00000 0.00003 0.00002 -0.00001 -0.00005 -0.00006 0.00000 -0.00004 -0.00004 -0.00001 -0.00004 -0.00005 -0.00001 -0.00001 -0.00000 -0.00000 0.00001 0.00000 0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 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 -0.00001 -0.00001 -0.00001 -0.00001 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 -0.00001 -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 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00002 0.00002 0.00002 0.00003 0.00003 0.00003 0.00002 0.00002 0.00002 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00009 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 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 0.00003 -0.00001 -0.00001 -0.00001 0.00001 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 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 -0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00004 0.00004 -0.00001 -0.00001 -0.00002 -0.00002 0.00002 0.00002 0.00002 0.00002 0.00003 0.00004 0.00004 0.00004 0.00003 0.00004 0.00001 0.00000 0.00000 -0.00000 -0.00002 -0.00002 -0.00000 -0.00001 0.00000 -0.00000 0.00003 0.00002 -0.00001 -0.00005 -0.00006 0.00000 -0.00004 -0.00004 -0.00001 -0.00004 -0.00005 -0.00001 -0.00001 -0.00000 -0.00000 0.00001 0.00000 0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 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 -0.00001 -0.00001 -0.00001 -0.00001 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 -0.00001 -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 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00002 0.00002 0.00002 0.00003 0.00003 0.00003 0.00002 0.00002 0.00002 2.30791 2.80605 2.80313 2.83554 2.96538 2.96362 7.09068 2.60632 2.05887 2.59633 2.60630 2.06161 2.59739 2.63785 2.06097 2.63843 2.06122 2.06165 2.68197 2.64406 2.67954 2.64500 2.56489 2.56840 2.61427 2.06335 2.64308 2.06181 2.49679 2.07209 2.64184 2.49734 2.07200 2.61533 2.06172 2.06341 2.88057 2.88000 2.87883 4.18977 2.07719 2.07737 2.08585 2.07742 2.07583 2.08594 2.07540 2.07748 2.08614 2.10764 2.11014 2.06530 2.12597 2.12785 1.54952 2.02891 1.40941 1.72618 2.14435 2.13307 2.00498 2.14785 2.13358 2.00120 2.10357 2.06154 2.11807 2.10269 2.06255 2.11794 2.04826 2.11739 2.11754 2.11489 2.12256 2.04518 2.15054 2.03903 2.09360 2.14746 2.04202 2.09367 2.08674 2.12362 2.07279 2.08191 2.13122 2.06940 2.08670 2.06099 2.13549 2.04749 2.12755 2.10814 2.15944 2.09493 2.02880 2.10624 2.15858 2.09593 2.02868 2.04668 2.10871 2.12778 2.08898 2.05912 2.13509 2.10901 1.94533 1.94627 1.87297 1.94148 1.87527 1.87845 1.94948 1.95173 1.89567 1.89406 1.88489 1.88583 1.95267 1.95025 1.89594 1.89407 1.88653 1.88207 1.95793 1.95427 1.89366 1.88895 1.88104 1.88533 2.10473 1.97313 3.12793 -0.01785 -0.02900 3.10840 -3.09035 0.04280 0.06660 -3.08343 -0.23066 2.94802 2.87713 -0.22738 1.13640 -1.96811 3.03700 -0.11314 -0.07260 3.06045 1.59289 -1.55725 -3.00253 0.09998 0.10703 -3.07364 -1.35948 1.74304 -2.88751 -0.12738 1.87112 -0.82383 1.93629 -2.34838 1.21265 -2.31041 -0.31190 3.09742 -0.04731 0.00052 3.13897 -3.10179 0.00430 0.08118 -3.09591 3.10767 -0.03511 0.00370 -3.13908 3.09951 -0.00641 -0.00738 -3.11331 -0.00333 3.13897 3.14151 0.00062 0.00130 -3.14101 -3.13907 0.00181 -0.05845 3.12083 3.08746 -0.01645 -3.12870 0.01205 0.00885 -3.13358 -0.01265 3.13724 3.13763 0.00433 -3.14139 -0.00047 -0.00797 3.13295 -3.13116 0.00195 -3.09191 0.01087 0.00533 -3.14018 -3.13556 0.00211 0.00099 3.13910 -3.13673 0.00138 -0.00473 3.14023 -0.01014 3.13657 3.13301 -0.00347 0.00248 -3.14061 0.00402 -3.13669 3.14044 -0.00027 -3.11717 -0.99056 1.08899 0.98466 3.11127 -1.09237 -1.06844 1.05817 3.13772 0.98516 3.11302 -1.09600 -3.11400 -0.98614 1.08803 -1.06218 1.06568 3.13985 3.13713 -1.01812 1.06105 0.95363 3.08156 -1.12245 -1.09626 1.03167 3.11084 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000002 0.000000 0.000171 0.000040 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.745974e-10 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 1 3 3 3 3 4 4 4 5 5 5 6 6 8 8 10 15 15 16 16 17 18 19 19 20 20 21 21 26 26 26 27 27 28 33 33 33 33 34 34 34 38 38 38 42 42 42 2 15 16 14 17 18 46 6 7 14 8 9 14 10 11 10 12 13 18 28 17 19 22 29 20 23 21 24 22 25 27 29 31 28 32 30 34 38 42 46 35 36 37 39 40 41 43 44 45 1.2213 1.4849 1.4834 1.5005 1.5692 1.5683 3.7523 1.3792 1.0895 1.3739 1.3792 1.091 1.3745 1.3959 1.0906 1.3962 1.0908 1.091 1.4192 1.3992 1.4179 1.3997 1.3573 1.3591 1.3834 1.0919 1.3987 1.0911 1.3212 1.0965 1.398 1.3215 1.0965 1.384 1.091 1.0919 1.5243 1.524 1.5234 2.2171 1.0992 1.0993 1.1038 1.0993 1.0985 1.1038 1.0983 1.0994 1.1039 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 15 14 14 14 17 17 18 6 6 7 8 8 9 4 4 10 5 5 10 6 6 8 3 3 4 1 1 18 1 1 17 3 3 16 3 3 15 16 16 20 19 19 21 20 20 22 17 27 27 29 26 26 28 15 15 27 18 34 34 34 38 38 42 33 33 33 35 35 36 33 33 33 39 39 40 33 33 33 43 43 44 1 1 1 3 3 3 3 3 3 4 4 4 5 5 5 6 6 6 8 8 8 10 10 10 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 26 26 26 27 27 27 28 28 28 29 33 33 33 33 33 33 34 34 34 34 34 34 38 38 38 38 38 38 42 42 42 42 42 42 15 16 16 17 18 46 18 46 46 7 14 14 9 14 14 10 11 11 10 12 12 8 13 13 4 5 5 18 28 28 17 19 19 16 22 22 15 29 29 20 23 23 21 24 24 22 25 25 21 29 31 31 28 32 32 27 30 30 26 38 42 46 42 46 46 35 36 37 36 37 37 39 40 41 40 41 41 43 44 45 44 45 45 120.759 120.9019 118.3331 121.8085 121.9168 88.7789 116.2483 80.754 98.9038 122.8619 122.2159 114.8773 123.0625 122.2454 114.6605 120.5257 118.1175 121.3566 120.4754 118.1756 121.3489 117.3566 121.3172 121.3261 121.1739 121.6139 117.1799 123.217 116.828 119.9545 123.0405 116.9993 119.9585 119.5612 121.6744 118.7626 119.2847 122.1103 118.5682 119.559 118.0866 122.3544 117.3127 121.8993 120.7876 123.727 120.0309 116.2418 120.6785 123.6774 120.0878 116.2347 117.2659 120.8204 121.913 119.6894 117.9785 122.3321 120.8374 111.4594 111.5125 107.3136 111.239 107.4451 107.627 111.6971 111.8261 108.6135 108.5216 107.9966 108.0501 111.8796 111.7407 108.6291 108.5226 108.09 107.8349 112.1811 111.9713 108.4989 108.2289 107.7755 108.0213 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A84 3 46 33 13 -1 120.5946 -DE/DX|=|0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 2 2 16 16 2 2 15 15 17 17 18 18 46 46 14 14 18 18 46 46 14 14 17 17 46 46 14 14 14 17 17 17 18 18 18 7 7 14 14 6 6 7 7 9 9 14 14 8 8 9 9 4 4 11 11 5 5 12 12 1 1 28 28 1 1 18 18 1 1 19 19 1 1 17 17 3 16 3 15 16 16 23 23 19 19 24 24 20 25 29 29 31 31 27 31 26 26 32 32 38 38 38 42 42 42 46 46 46 34 34 34 42 42 42 46 46 46 34 34 34 38 38 38 46 46 1 1 1 1 1 1 1 1 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 6 6 8 8 8 8 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 17 17 18 18 19 19 19 19 20 20 20 20 21 21 26 26 26 26 26 26 27 27 27 27 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 15 15 15 15 16 16 16 16 14 14 14 14 14 14 17 17 17 17 17 17 18 18 18 18 18 18 33 33 33 33 33 33 33 33 33 6 6 6 6 14 14 14 14 8 8 8 8 14 14 14 14 10 10 10 10 10 10 10 10 18 18 18 18 28 28 28 28 17 17 17 17 19 19 19 19 22 22 29 29 20 20 20 20 21 21 21 21 22 22 27 27 27 27 29 29 28 28 28 28 34 34 34 34 34 34 34 34 34 38 38 38 38 38 38 38 38 38 42 42 42 42 42 42 42 42 18 28 18 28 17 19 17 19 4 5 4 5 4 5 16 22 16 22 16 22 15 29 15 29 15 29 34 38 42 34 38 42 34 38 42 10 11 10 11 3 5 3 5 10 12 10 12 3 4 3 4 8 13 8 13 6 13 6 13 3 29 3 29 27 30 27 30 3 22 3 22 20 23 20 23 21 21 26 26 21 24 21 24 22 25 22 25 17 17 28 32 28 32 18 18 15 30 15 30 35 36 37 35 36 37 35 36 37 39 40 41 39 40 41 39 40 41 43 44 45 43 44 45 43 44 179.2179 -1.0222 -1.6607 178.0993 -177.0651 2.4515 3.8147 -176.6687 -13.2173 168.9071 164.8453 -13.0303 65.1093 -112.7663 174.0066 -6.4827 -4.1599 175.3508 91.2667 -89.2226 -172.0321 5.729 6.1322 -176.1067 -77.8937 99.8674 -165.4414 -7.2958 107.2107 -47.2021 110.9436 -134.55 69.4802 -132.3741 -17.8677 177.4697 -2.7105 0.0299 179.8498 -177.7199 0.2465 4.6505 -177.3832 178.0564 -2.0116 0.2121 -179.856 177.5894 -0.3674 -0.4228 -178.3796 -0.1909 179.8496 179.9952 0.0356 0.0741 -179.9664 -179.8557 0.1039 -3.3492 178.8101 176.898 -0.9427 -179.261 0.6908 0.5073 -179.541 -0.7237 179.7513 179.7734 0.2485 -179.9888 -0.0271 -0.4565 179.5051 -179.4031 0.1113 -177.1536 0.6229 0.3051 -179.9196 -179.6548 0.1205 0.0571 179.8575 -179.7207 0.0796 -0.2709 179.9218 -0.5814 179.7117 179.5082 -0.1987 0.1425 -179.9439 0.2306 -179.719 179.9341 -0.0156 -178.6006 -56.7545 62.3947 56.4165 178.2627 -62.5882 -61.2169 60.6292 179.7784 56.4456 178.3628 -62.7957 -178.419 -56.5018 62.3397 -60.8585 61.0587 179.9001 179.7433 -58.3352 60.7925 54.6376 176.5591 -64.3132 -62.8124 59.1091 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 def2SVP (5D, 7F) 0.10000e-02 0.10000e-05 F 503 A 476 A 476 832 503 100 99 2590.7394425767 46 46 46 1.00e+00 60 F IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=121 Grimme-D2 -0.0428898917 0.000000 1.221292 0.000000 3.003398 4.224051 0.000000 5.323649 6.513340 2.504685 0.000000 5.362825 6.560515 2.510555 2.345648 0.000000 6.679262 7.874975 3.785763 1.379205 2.737609 0.000000 5.025371 6.150006 2.627228 1.089504 3.307349 2.172544 0.000000 6.711057 7.914630 3.789986 2.738508 1.379194 2.385173 3.826019 0.000000 5.087763 6.226092 2.631860 3.307183 1.090957 3.826662 4.157028 2.175796 0.000000 7.312267 8.527568 4.320866 2.409656 2.409310 1.395889 3.414844 1.396197 3.417411 0.000000 7.383729 8.546685 4.627962 2.123545 3.827206 1.090617 2.485212 3.391296 4.915207 2.173092 0.000000 7.436233 8.613295 4.634527 3.828258 2.124278 3.391328 4.914760 1.090752 2.490061 2.173403 4.323127 0.000000 8.401438 9.615680 5.411757 3.404240 3.404097 2.172981 4.331412 2.173353 4.334729 1.090976 2.530468 2.530868 0.000000 4.499470 5.718431 1.500499 1.373921 1.374479 2.410451 2.081848 2.411271 2.081029 2.820948 3.377378 3.378679 3.911923 0.000000 1.484899 2.356147 2.578990 5.059678 4.480883 6.311764 5.072917 5.850000 3.977437 6.676701 7.172417 6.424296 7.748916 3.951594 0.000000 1.483356 2.356412 2.582339 4.454236 5.090725 5.832535 3.927738 6.340217 5.114016 6.684058 6.391097 7.214648 7.757207 3.954352 2.548724 0.000000 2.550396 3.648922 1.569209 3.056517 3.937356 4.431997 2.564801 5.090199 4.182775 5.320245 5.002797 6.032422 6.382500 2.682545 2.964721 1.417949 0.000000 2.555015 3.652093 1.568279 3.927002 3.067458 5.079238 4.173711 4.436844 2.584496 5.315744 6.016956 5.012859 6.377159 2.683136 1.419236 2.968947 2.664337 0.000000 2.458563 2.753646 3.873286 5.363528 6.346894 6.705929 4.618240 7.528778 6.459140 7.712539 7.092295 8.457772 8.753171 5.119626 3.806611 1.399671 2.439637 4.365986 0.000000 3.737500 4.136571 4.359408 5.215371 6.643473 6.449547 4.289912 7.669620 6.961777 7.611946 6.637014 8.676058 8.583998 5.316877 4.952156 2.404862 2.790351 5.232778 1.383413 0.000000 4.198545 4.917612 3.776616 4.052718 5.752489 5.195723 3.064910 6.629426 6.246371 6.417996 5.307621 7.674569 7.342119 4.398612 5.099086 2.715794 2.327627 4.989186 2.376077 1.398659 0.000000 3.770180 4.744448 2.557609 2.840395 4.431728 4.085818 1.973055 5.335404 4.946162 5.220389 4.387757 6.371053 6.196455 3.078197 4.321105 2.388495 1.357280 3.924928 2.770103 2.398760 1.321244 0.000000 2.611850 2.387679 4.724479 6.402574 7.231338 7.757145 5.687489 8.465546 7.233461 8.725958 8.165416 9.354595 9.779112 6.064764 4.089411 2.142499 3.417273 4.936927 1.091875 2.173186 3.390739 3.861310 0.000000 4.625178 4.818065 5.449623 6.175816 7.708078 7.349193 5.195350 8.697653 8.047621 8.564829 7.430994 9.718033 9.502315 6.371469 5.931488 3.408916 3.880439 6.300092 2.167824 1.091064 2.169996 3.374314 2.544287 0.000000 5.294759 5.997595 4.613988 4.346752 6.303848 5.282989 3.299744 7.008094 6.925826 6.590186 5.177615 8.076915 7.412467 4.969642 6.159982 3.811726 3.296803 5.945387 3.378390 2.166476 1.096500 2.056491 4.317495 2.505918 0.000000 4.201625 4.915820 3.781663 5.756717 4.059222 6.628052 6.257200 5.194759 3.076267 6.414345 7.671637 5.305428 7.335621 4.406994 2.717575 5.103735 4.993850 2.331338 6.451240 7.467496 7.315160 6.248126 6.804414 8.505171 8.275046 0.000000 3.738485 4.131996 4.360566 6.626563 5.234783 7.648802 6.943992 6.458649 4.330872 7.602296 8.645431 6.657391 8.571444 5.319223 2.406509 4.953808 5.233580 2.793452 6.170139 7.354575 7.466167 6.574867 6.301298 8.317553 8.504061 1.398001 0.000000 2.457223 2.748267 3.869798 6.313765 5.390189 7.495303 6.417262 6.721996 4.672818 7.700634 8.408754 7.126631 8.739284 5.116332 1.399175 3.804831 4.361767 2.440277 4.914375 6.168004 6.446982 5.717033 4.956537 7.079829 7.521617 2.375400 1.383973 0.000000 3.773945 4.744908 2.563741 4.445198 2.838975 5.343433 4.968242 4.081007 1.961064 5.221078 6.380815 4.376711 6.195125 3.088827 2.388795 4.326840 3.930359 1.359138 5.722176 6.576210 6.247401 5.097604 6.258340 7.649056 7.148420 1.321535 2.397876 2.767941 0.000000 2.606712 2.377159 4.718981 7.187439 6.434769 8.422280 7.174756 7.778529 5.751927 8.711871 9.290222 8.210692 9.762999 6.058921 2.140895 4.083813 4.929432 3.417328 4.953206 6.296976 6.798366 6.251237 4.753229 7.098885 7.893152 3.390022 2.173494 1.091909 3.859184 0.000000 5.297757 5.995524 4.619949 6.319441 4.343156 7.016867 6.951903 5.273161 3.288584 6.588132 8.088695 5.156768 7.406972 4.980454 3.813416 6.164789 5.951000 3.299889 7.525679 8.505188 8.275203 7.149771 7.898714 9.555043 9.196723 1.096455 2.166456 3.378286 2.056631 4.317537 0.000000 4.624613 4.810868 5.450699 7.689834 6.196355 8.674640 8.027973 7.359093 5.238487 8.553997 9.683811 7.453580 9.487983 6.373956 3.410091 5.931774 6.300342 3.883535 7.080394 8.316647 8.503595 7.647697 7.101151 9.243761 9.553948 2.169705 1.091013 2.168430 3.373875 2.544700 2.506692 0.000000 5.870514 6.719716 4.456238 4.517977 4.451465 4.943840 4.838440 4.880201 4.660866 5.129357 5.506262 5.404323 5.806477 4.260324 5.296482 5.829723 5.217933 4.627717 6.836560 7.257027 6.725303 5.768366 7.473909 8.173278 7.321828 5.352531 5.956524 5.920238 4.699343 6.650999 5.734750 6.711648 0.000000 6.941181 7.628865 5.906256 5.958569 5.944113 6.292997 6.199872 6.277005 6.105805 6.458621 6.732651 6.707614 7.011951 5.780140 6.441849 6.990667 6.537749 5.963214 7.878224 8.311188 7.888155 7.059514 8.405614 9.143069 8.453205 6.451828 6.905308 6.892610 5.997907 7.493589 6.761976 7.516140 1.524333 0.000000 6.684476 7.218255 6.142234 6.571413 6.514824 7.077613 6.718758 7.022217 6.550503 7.306859 7.554653 7.462399 7.941203 6.272550 6.252060 6.893897 6.664172 6.011359 7.723864 8.281060 8.041431 7.301237 8.118584 9.075075 8.688742 6.403200 6.639116 6.559242 6.109855 7.027768 6.775663 7.164992 2.184203 1.099203 0.000000 7.520513 8.205257 6.425495 6.158329 6.499560 6.393193 6.296227 6.725857 6.811357 6.684326 6.658849 7.230471 7.159029 6.217026 7.180778 7.393122 6.891659 6.696218 8.148827 8.425147 7.952266 7.224504 8.708362 9.182055 8.399723 7.414620 7.868845 7.749539 6.854182 8.320545 7.768419 8.525195 2.185876 1.099294 1.784486 0.000000 7.715994 8.424273 6.533598 6.517097 6.204559 6.698938 6.904071 6.387858 6.301896 6.644050 7.179657 6.648160 7.087345 6.274583 7.050515 7.849686 7.342571 6.481863 8.821616 9.286880 8.814727 7.903873 9.356962 10.154129 9.378405 6.642406 7.195029 7.382662 6.291829 8.034972 6.775804 7.716779 2.148490 1.103786 1.782220 1.782897 0.000000 6.709264 7.700446 4.652408 3.927747 3.972689 3.945283 4.439786 3.988797 4.450223 3.984692 4.431747 4.503744 4.495890 3.957370 6.098057 6.440046 5.526957 5.140746 7.457849 7.669808 6.879443 5.832833 8.244542 8.597787 7.310081 5.956569 6.814019 6.865218 5.109040 7.711209 6.217957 7.629088 1.524031 2.519139 3.484646 2.769335 2.767005 0.000000 7.307240 8.277054 5.277748 4.186211 4.729473 4.053834 4.541531 4.619672 5.350521 4.289332 4.268681 5.209202 4.667837 4.540805 6.871875 6.869905 5.927839 5.965120 7.740705 7.786669 6.939038 6.013182 8.555028 8.634545 7.231292 6.981814 7.789453 7.727555 6.079362 8.523450 7.292180 8.628351 2.186294 2.767732 3.782823 2.562905 3.116562 1.099322 0.000000 6.263629 7.348440 3.862738 2.929662 2.961608 2.944353 3.586207 2.974928 3.580342 2.979302 3.576981 3.624278 3.629729 2.960812 5.628143 5.897343 4.836654 4.518494 6.966744 7.133772 6.242865 5.103228 7.827962 8.102895 6.664381 5.517954 6.477322 6.511537 4.510629 7.424020 5.812570 7.370770 2.183929 3.484339 4.340467 3.782247 3.777998 1.098482 1.783933 0.000000 7.501276 8.486748 5.404168 4.697599 4.313638 4.523086 5.351284 4.113689 4.681886 4.230020 5.046152 4.367348 4.562868 4.616889 6.728640 7.352958 6.441635 5.717424 8.440127 8.706843 7.908882 6.810755 9.207903 9.656984 8.345177 6.149320 7.100968 7.352081 5.431837 8.237043 6.218545 7.823339 2.148463 2.770518 3.780130 3.124995 2.559473 1.103832 1.783408 1.779845 0.000000 5.315628 6.148908 4.078741 4.780506 4.013103 5.346629 5.240328 4.659217 3.865234 5.310487 6.132329 5.015769 6.075928 4.081725 4.427685 5.603136 5.117368 3.765202 6.787216 7.441798 7.021213 5.964251 7.343656 8.432139 7.768810 3.977816 4.616482 4.809681 3.540741 5.611792 4.285834 5.306092 1.523412 2.519423 2.765373 3.485675 2.769197 2.515073 3.482949 2.760854 2.762066 0.000000 4.745171 5.705389 3.156053 4.020891 3.008341 4.675067 4.565599 3.822053 2.798207 4.611472 5.568783 4.229441 5.472584 3.133790 3.745527 4.985048 4.380948 2.845841 6.263508 6.913654 6.426434 5.277922 6.890129 7.954112 7.194910 3.244044 4.070204 4.270215 2.570970 5.194562 3.625696 4.891655 2.188664 3.487823 3.788208 4.346428 3.773441 2.753313 3.773065 2.542932 3.091525 1.098254 0.000000 4.913529 5.574294 4.351863 5.485951 4.768359 6.220685 5.806410 5.585394 4.478050 6.285377 7.000492 5.952637 7.105272 4.702054 4.075409 5.425423 5.222598 3.768048 6.557816 7.363749 7.149763 6.201564 6.964747 8.317354 7.985723 3.828694 4.139967 4.249384 3.655025 4.910516 4.246589 4.735933 2.186907 2.784089 2.576456 3.794365 3.143489 3.483212 4.343265 3.768546 3.782762 1.099352 1.780477 0.000000 6.272300 7.088452 4.931760 5.465745 4.383679 5.829962 6.062166 4.809678 4.153012 5.544756 6.634976 4.936390 6.176727 4.752132 5.247018 6.630428 6.103488 4.518249 7.851745 8.512475 8.047104 6.941227 8.402273 9.514917 8.769318 4.242398 5.000603 5.454931 3.988862 6.282973 4.268895 5.545543 2.146313 2.752454 3.093389 3.768081 2.541888 2.776513 3.784971 3.133282 2.564924 1.103938 1.779075 1.782742 0.000000 4.635575 5.414295 3.752273 4.035733 4.840010 4.871203 3.835308 5.565308 5.179899 5.600321 5.260474 6.389103 6.443700 4.011369 4.629676 4.267827 3.827511 4.284932 4.989756 5.289283 4.896116 4.213472 5.630262 6.114749 5.504391 5.795624 6.098687 5.556886 4.977525 6.099501 6.518820 6.987957 2.217133 3.041521 3.186293 3.182110 4.054190 3.043736 3.188202 3.188000 4.056006 3.046650 3.216303 3.175555 4.057148 0.000000 C20H20BIN3O(2) 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 0 435.94896999999986 AuxInfo=1/0/N:10,6,8,20,27,19,28,21,26,4,5,16,15,1,17,18,3,22,29,14,2;34,38,42,33,46/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(15,16)(18,19);(1,2,3)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,18.2,19.2,21.1;/rA:46nC3O1BC3C3C3HC3HC3HHHNC3C3C3C3C3C3C3N2HHHC3C3C3N2HHHCCHHHCHHHCHHHI/rB:s1;;;;s4;s4;s5;s5;s6s8;s6;s8;s10;s3s4s5;s1;s1;s3s16;s3s15;s16;s19;s20;s17s21;s19;s20;s21;;s26;s15s27;s18s26;s28;s26;s27;;s33;s34;s34;s34;s33;s38;s38;s38;s33;s42;s42;s42;s33;/rC:-3.1409,.5481,.4927;-4.0695,.7426,1.2618;-.7864,.0646,-1.308;1.0023,-1.4541,-2.1842;1.1533,.8274,-2.7076;2.1783,-1.7065,-2.8592;.4063,-2.2396,-1.7208;2.333,.6139,-3.3893;.7076,1.8155,-2.5843;2.8762,-.6691,-3.4799;2.5434,-2.7338,-2.8892;2.823,1.4715,-3.8521;3.8088,-.8538,-4.0151;.4678,-.1919,-2.0909;-2.3232,1.6801,-.0122;-2.8138,-.8207,.024;-1.7105,-1.1059,-.8197;-1.2237,1.5125,-.8937;-3.6463,-1.8577,.4606;-3.3896,-3.1554,.0557;-2.2861,-3.3609,-.7788;-1.4885,-2.392,-1.1922;-4.4821,-1.6046,1.116;-4.0142,-3.9922,.3718;-2.0403,-4.372,-1.1246;-.9116,3.8229,-.9073;-1.9724,4.0609,-.0284;-2.6848,2.9615,.4181;-.5553,2.6179,-1.3165;-3.531,3.0524,1.102;-.3212,4.661,-1.296;-2.2234,5.076,.2829;2.6454,.6145,1.4809;3.4039,.7724,2.7937;2.7482,1.1258,3.602;3.8724,-.1701,3.111;4.2029,1.5204,2.6511;3.5517,.0917,.3727;4.0276,-.8604,.6476;3.0031,-.0512,-.5681;4.3488,.8331,.19;1.9639,1.9134,1.0698;1.4175,1.8131,.1224;1.2608,2.2694,1.8362;2.739,2.6872,.9316;1.0602,-.8997,1.8128; 0.1824401 0.1453959 0.1407968 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 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Defaulting to unpruned grid for atomic number 53. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 501 501 501 501 501 MxSgAt= 46 MxSgA2= 46. 1 open 1 1 1 -1335.23445220964 -1335.23445221 1 0.7901 1.139772387833e+03 -8.218709048442e+03 3.153005655714e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1572345582 LenY= 1572092070 Requested convergence on RMS density matrix=1.00D-08 within 32 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. 0.7901 Using compressed storage, NAtomX= 46. Will process 47 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=1111111111111111111111111111111111111111111111 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. Defaulting to unpruned grid for atomic number 53. 13849 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 1572864000 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=T KAlg= 0 I1Cent= 0 FoldK=F IRaf= 1 NMat= 138 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 138 NMatS0= 138 NMatT0= 0 NMatD0= 138 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. There are 141 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 138 vectors produced by pass 0 Test12= 7.49D-14 1.00D-09 XBig12= 5.04D+02 1.51D+01. AX will form 138 AO Fock derivatives at one time. 138 vectors produced by pass 1 Test12= 7.49D-14 1.00D-09 XBig12= 6.29D+01 1.83D+00. 138 vectors produced by pass 2 Test12= 7.49D-14 1.00D-09 XBig12= 1.91D+00 1.91D-01. 138 vectors produced by pass 3 Test12= 7.49D-14 1.00D-09 XBig12= 4.47D-02 2.20D-02. 138 vectors produced by pass 4 Test12= 7.49D-14 1.00D-09 XBig12= 7.76D-04 4.01D-03. 138 vectors produced by pass 5 Test12= 7.49D-14 1.00D-09 XBig12= 9.27D-06 2.95D-04. 138 vectors produced by pass 6 Test12= 7.49D-14 1.00D-09 XBig12= 8.42D-08 2.32D-05. 91 vectors produced by pass 7 Test12= 7.49D-14 1.00D-09 XBig12= 7.09D-10 2.83D-06. 27 vectors produced by pass 8 Test12= 7.49D-14 1.00D-09 XBig12= 5.99D-12 1.87D-07. 3 vectors produced by pass 9 Test12= 7.49D-14 1.00D-09 XBig12= 5.85D-14 1.71D-08. 1 vectors produced by pass 10 Test12= 7.49D-14 1.00D-09 XBig12= 7.22D-16 1.92D-09. InvSVY: IOpt=1 It= 1 EMax= 1.00D-14 Solved reduced A of dimension 1088 with 141 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 337.29 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 416.519 -7.925 337.253 -142.989 24.423 258.106 388.761 6.447 382.875 -123.327 11.719 278.501 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 C O B C C C H C H C H H H N C C C C C C C N H H H C C C N H H H C C H H H C H H H C H H H I 13 17 11 13 13 13 1 13 1 13 1 1 1 14 13 13 13 13 13 13 13 14 1 1 1 13 13 13 14 1 1 1 13 13 1 1 1 13 1 1 1 13 1 1 1 127 -0.01415 0.03953 0.04859 0.03712 0.03731 -0.02856 -0.00292 -0.02853 -0.00289 0.04217 0.00129 0.00130 -0.00346 -0.05806 0.01561 0.01442 -0.03178 -0.03288 -0.01340 0.01532 -0.01351 0.01673 0.00063 -0.00122 0.00064 -0.01450 0.01668 -0.01450 0.01935 0.00067 0.00067 -0.00133 -0.00010 0.00009 0.00000 0.00001 -0.00001 0.00013 -0.00001 0.00003 0.00001 0.00016 0.00003 0.00000 -0.00001 0.00000 -15.90588 -23.96364 69.69424 41.72628 41.94408 -32.10176 -13.03844 -32.06843 -12.90436 47.40901 5.76902 5.79174 -15.47722 -18.75803 17.54452 16.21567 -35.72643 -36.96111 -15.06616 17.21791 -15.18328 5.40589 2.80963 -5.47494 2.84847 -16.29677 18.74728 -16.30302 6.25205 3.00421 3.01498 -5.96688 -0.11627 0.09767 0.00315 0.04089 -0.02747 0.15033 -0.03219 0.11638 0.04907 0.17692 0.15627 0.00647 -0.04006 0.00330 -5.67561 -8.55082 24.86864 14.88897 14.96669 -11.45471 -4.65244 -11.44281 -4.60459 16.91671 2.05853 2.06664 -5.52266 -6.69333 6.26032 5.78615 -12.74808 -13.18864 -5.37598 6.14378 -5.41777 1.92895 1.00255 -1.95360 1.01640 -5.81509 6.68949 -5.81732 2.23089 1.07198 1.07582 -2.12913 -0.04149 0.03485 0.00112 0.01459 -0.00980 0.05364 -0.01149 0.04153 0.01751 0.06313 0.05576 0.00231 -0.01429 0.00118 -5.30563 -7.99341 23.24750 13.91839 13.99104 -10.70799 -4.34916 -10.69688 -4.30443 15.81394 1.92434 1.93192 -5.16264 -6.25700 5.85222 5.40896 -11.91705 -12.32890 -5.02553 5.74328 -5.06460 1.80321 0.93719 -1.82624 0.95015 -5.43602 6.25342 -5.43810 2.08546 1.00210 1.00569 -1.99034 -0.03878 0.03258 0.00105 0.01364 -0.00916 0.05015 -0.01074 0.03882 0.01637 0.05901 0.05213 0.00216 -0.01336 0.00110 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 0.005096 0.034551 -0.020042 -0.025733 -0.011038 0.014113 -0.002121 0.011243 -0.004142 -0.021542 0.003052 0.002359 0.012682 0.007258 0.007605 0.005818 0.005643 -0.002298 -0.001981 -0.000062 0.000477 0.005966 -0.001613 -0.000199 0.001038 -0.005735 0.008148 -0.005812 -0.003624 -0.002565 -0.000847 -0.003604 0.000413 0.000165 -0.000023 0.000232 0.000232 0.001264 0.000835 0.002191 0.000919 0.000113 0.000359 -0.000260 0.000275 0.000096 -0.002357 -0.200773 -0.116940 -0.092994 -0.093479 0.040050 0.002780 0.042909 0.008861 -0.117845 -0.002507 -0.000481 -0.015792 0.060955 -0.047656 -0.043410 0.014200 0.012757 0.025460 -0.040214 0.023781 -0.057424 0.004061 0.001725 -0.000132 0.028942 -0.043620 0.028493 -0.066794 0.005155 0.001725 0.005556 -0.001217 -0.000465 -0.000417 -0.000484 -0.000372 -0.001584 -0.000990 -0.002393 -0.000811 -0.000829 -0.000476 -0.000377 -0.000185 -0.002568 -0.002739 0.166222 0.136982 0.118726 0.104517 -0.054163 -0.000659 -0.054152 -0.004719 0.139387 -0.000545 -0.001878 0.003110 -0.068213 0.040051 0.037592 -0.019842 -0.010458 -0.023479 0.040276 -0.024259 0.051458 -0.002448 -0.001526 -0.000906 -0.023208 0.035472 -0.022681 0.070419 -0.002591 -0.000878 -0.001952 0.000804 0.000300 0.000440 0.000252 0.000140 0.000320 0.000155 0.000202 -0.000107 0.000716 0.000117 0.000637 -0.000090 0.002471 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 -0.001677 -0.046419 -0.013848 0.031328 0.027329 -0.009323 0.008528 -0.016230 -0.006889 0.028237 0.001352 -0.003607 -0.003681 -0.008238 -0.010026 -0.009690 0.003134 0.003802 0.007115 -0.007414 0.008917 -0.016750 0.002396 0.005255 0.002333 0.001043 -0.009340 0.004728 -0.006746 0.000300 -0.002146 -0.003213 0.000033 0.000162 0.000156 0.000028 0.000216 0.000155 -0.000289 0.000144 0.000410 0.001075 0.002374 0.000650 0.000891 -0.001377 -0.012964 0.303480 0.160470 0.128844 0.137337 -0.065254 -0.002871 -0.064665 0.001398 0.156194 -0.004187 -0.002823 -0.007263 -0.074784 0.071704 0.064335 -0.016421 -0.019058 -0.032816 0.060360 -0.037148 0.092614 -0.000164 0.000702 -0.001634 -0.040282 0.069629 -0.036310 0.100517 0.000095 -0.001083 0.002256 0.001363 0.000701 0.000618 0.000641 0.000563 0.001624 0.001007 0.001712 0.000878 0.001632 0.002004 0.001000 0.000832 0.003431 0.002440 -0.057732 -0.022445 0.050096 0.045568 -0.020267 -0.005953 -0.016547 0.002828 0.049879 -0.000921 0.001649 0.005180 -0.016599 -0.010071 -0.014887 0.009426 -0.000064 0.007437 -0.015065 0.006106 -0.024384 -0.000609 -0.003414 -0.001369 0.007450 -0.008182 0.005279 -0.009368 0.000611 0.002032 0.003249 0.000312 0.000141 0.000254 0.000008 0.000227 0.000265 -0.000215 0.000469 0.000377 0.001258 0.002097 0.001233 0.000830 -0.001395 0.5852 -0.0973 0.805 0.185 0.9826 -0.0157 0.7895 -0.1581 -0.593 -0.0125 -0.0027 0.0152 -1.672 -0.364 2.036 -0.597 -0.13 0.726 -0.558 -0.121 0.679 1 C 13 0.7521 -0.1801 -0.634 0.2143 0.9765 -0.0231 0.6233 -0.1185 0.773 -0.2102 -0.2096 0.4198 15.208 15.166 -30.374 5.427 5.412 -10.838 5.073 5.059 -10.132 2 O 17 0.84 -0.1019 -0.533 0.1256 0.992 0.0083 0.5279 -0.0739 0.8461 -0.1202 -0.1189 0.2391 -20.578 -20.354 40.932 -7.343 -7.263 14.606 -6.864 -6.789 13.654 3 B 11 -0.415 0.9091 0.0354 0.7622 0.3686 -0.5321 0.4968 0.1939 0.8459 -0.1053 -0.1005 0.2059 -14.136 -13.49 27.627 -5.044 -4.814 9.858 -4.715 -4.5 9.215 4 C 13 0.4754 0.7418 -0.4729 0.6917 -0.6474 -0.32 0.5436 0.175 0.8209 -0.105 -0.1002 0.2052 -14.092 -13.44 27.532 -5.028 -4.796 9.824 -4.701 -4.483 9.184 5 C 13 0.509 0.1594 0.8459 -0.2766 0.9609 -0.0147 0.8151 0.2265 -0.5332 -0.0972 0.043 0.0542 -13.05 5.776 7.274 -4.657 2.061 2.596 -4.353 1.927 2.426 6 C 13 0.7313 -0.6474 -0.2148 0.4456 0.2151 0.869 0.5164 0.7312 -0.4457 -0.0088 -0.0036 0.0124 -4.71 -1.923 6.633 -1.681 -0.686 2.367 -1.571 -0.641 2.213 7 H 1 0.5218 0.159 0.8381 0.3946 0.826 -0.4024 0.7563 -0.5407 -0.3683 -0.0976 0.0432 0.0543 -13.091 5.799 7.292 -4.671 2.069 2.602 -4.367 1.934 2.432 8 C 13 0.7498 0.382 -0.5403 0.5425 0.1126 0.8325 -0.3788 0.9173 0.1229 -0.0087 -0.0034 0.0121 -4.62 -1.828 6.448 -1.649 -0.652 2.301 -1.541 -0.61 2.151 9 H 1 0.0673 0.9729 -0.2214 0.8555 -0.1704 -0.489 0.5135 0.1565 0.8437 -0.1272 -0.1165 0.2437 -17.075 -15.628 32.702 -6.093 -5.576 11.669 -5.696 -5.213 10.908 10 C 13 0.542 0.0498 0.8389 -0.1832 0.9812 0.0601 0.8202 0.1862 -0.5409 -0.0033 -0.0028 0.0061 -1.763 -1.503 3.266 -0.629 -0.536 1.165 -0.588 -0.501 1.089 11 H 1 0.5405 0.2142 0.8136 0.3371 0.8309 -0.4427 0.7708 -0.5136 -0.3769 -0.0033 -0.0028 0.0061 -1.771 -1.506 3.278 -0.632 -0.538 1.17 -0.591 -0.502 1.093 12 H 1 0.0652 0.9723 -0.2243 0.5148 0.1598 0.8423 0.8548 -0.1704 -0.4901 -0.0172 -3.0E-4 0.0176 -9.195 -0.185 9.38 -3.281 -0.066 3.347 -3.067 -0.062 3.129 13 H 1 0.5205 0.1036 0.8476 0.8492 -0.1663 -0.5011 0.089 0.9806 -0.1746 -0.1162 0.053 0.0632 -4.48 2.044 2.436 -1.599 0.729 0.869 -1.494 0.682 0.813 14 N 14 0.6455 0.6246 -0.4396 -0.4431 0.775 0.4506 0.6221 -0.0961 0.777 -0.0509 -0.0478 0.0987 -6.834 -6.411 13.246 -2.439 -2.288 4.726 -2.28 -2.139 4.418 15 C 13 -0.3789 0.8179 0.4331 0.6959 0.5603 -0.4492 0.61 -0.1312 0.7814 -0.0468 -0.0435 0.0903 -6.281 -5.839 12.119 -2.241 -2.083 4.324 -2.095 -1.948 4.043 16 C 13 0.4234 -0.2172 0.8795 0.8713 0.3636 -0.3296 -0.2482 0.9059 0.3432 -0.0301 0.0132 0.0169 -4.036 1.766 2.269 -1.44 0.63 0.81 -1.346 0.589 0.757 17 C 13 0.6312 -0.0606 0.7732 -0.5105 0.7181 0.473 0.584 0.6933 -0.4223 -0.026 0.01 0.016 -3.49 1.343 2.147 -1.245 0.479 0.766 -1.164 0.448 0.716 18 C 13 0.5835 -0.1363 0.8006 0.7632 -0.2449 -0.598 0.2776 0.9599 -0.0389 -0.0487 0.0214 0.0272 -6.53 2.878 3.652 -2.33 1.027 1.303 -2.178 0.96 1.218 19 C 13 -0.5826 0.6261 0.5182 0.5723 0.7688 -0.2855 0.5772 -0.1302 0.8062 -0.0458 -0.0401 0.0859 -6.144 -5.386 11.53 -2.192 -1.922 4.114 -2.049 -1.797 3.846 20 C 13 0.5846 -0.1326 0.8004 -0.4221 0.7928 0.4396 0.6928 0.5949 -0.4075 -0.0524 0.0224 0.03 -7.032 3.008 4.024 -2.509 1.073 1.436 -2.346 1.004 1.342 21 C 13 0.7104 -0.3299 -0.6217 0.3541 0.9309 -0.0894 0.6083 -0.1566 0.7781 -0.0673 -0.0615 0.1288 -2.596 -2.37 4.966 -0.926 -0.846 1.772 -0.866 -0.791 1.656 22 N 14 -0.607 0.2881 0.7407 0.7176 -0.202 0.6666 0.3416 0.9361 -0.0841 -0.0026 -0.0024 0.005 -1.361 -1.302 2.663 -0.486 -0.465 0.95 -0.454 -0.434 0.888 23 H 1 -0.5898 0.612 0.5268 0.5785 -0.1349 0.8045 0.5635 0.7792 -0.2745 -0.0063 -4.0E-4 0.0067 -3.35 -0.239 3.589 -1.195 -0.085 1.281 -1.117 -0.08 1.197 24 H 1 -0.3866 0.8102 0.4405 0.582 -0.1562 0.798 0.7154 0.5649 -0.4112 -0.002 -0.0018 0.0038 -1.062 -0.976 2.038 -0.379 -0.348 0.727 -0.354 -0.326 0.68 25 H 1 0.6232 -0.0758 0.7784 0.6639 0.5774 -0.4753 -0.4135 0.8129 0.4101 -0.0562 0.024 0.0322 -7.539 3.222 4.317 -2.69 1.15 1.54 -2.515 1.075 1.44 26 C 13 0.7401 0.3581 -0.5692 -0.2246 0.9294 0.2927 0.6339 -0.0888 0.7683 -0.0499 -0.0439 0.0939 -6.699 -5.896 12.595 -2.39 -2.104 4.494 -2.234 -1.967 4.201 27 C 13 0.62 -0.0874 0.7797 0.7772 -0.0679 -0.6256 0.1076 0.9939 0.0258 -0.0521 0.023 0.0291 -6.997 3.087 3.911 -2.497 1.101 1.395 -2.334 1.03 1.304 28 C 13 0.8208 0.0277 -0.5706 0.0089 0.9981 0.0613 0.5712 -0.0554 0.819 -0.0737 -0.0674 0.1412 -2.843 -2.601 5.444 -1.015 -0.928 1.943 -0.948 -0.867 1.816 29 N 14 -0.5483 -0.0441 0.8351 0.8354 -0.0759 0.5444 0.0394 0.9961 0.0784 -0.0027 -0.0025 0.0052 -1.433 -1.35 2.783 -0.511 -0.482 0.993 -0.478 -0.45 0.928 30 H 1 0.7204 0.5954 -0.3558 0.5341 -0.1488 0.8322 -0.4425 0.7895 0.4252 -0.0021 -0.0019 0.004 -1.113 -1.033 2.146 -0.397 -0.369 0.766 -0.371 -0.345 0.716 31 H 1 0.7439 0.3434 -0.5733 0.6313 -0.0797 0.7714 -0.2193 0.9358 0.2761 -0.0068 -4.0E-4 0.0073 -3.642 -0.235 3.878 -1.3 -0.084 1.384 -1.215 -0.079 1.293 32 H 1 0.1929 0.9447 -0.2652 0.7359 -0.3181 -0.5977 0.649 0.0799 0.7566 -0.0013 -7.0E-4 0.002 -0.174 -0.095 0.269 -0.062 -0.034 0.096 -0.058 -0.032 0.09 33 C 13 -0.4743 0.8399 0.2639 -0.5747 -0.5225 0.6299 0.6669 0.1471 0.7305 -5.0E-4 -5.0E-4 0.001 -0.069 -0.061 0.13 -0.025 -0.022 0.046 -0.023 -0.02 0.043 34 C 13 0.2123 0.8977 -0.3862 0.805 -0.3847 -0.4516 0.554 0.215 0.8043 -5.0E-4 -4.0E-4 9.0E-4 -0.261 -0.237 0.498 -0.093 -0.085 0.178 -0.087 -0.079 0.166 35 H 1 -0.1298 0.9862 0.1024 0.7006 0.1643 -0.6943 0.7016 0.0184 0.7123 -5.0E-4 -4.0E-4 9.0E-4 -0.26 -0.212 0.472 -0.093 -0.076 0.168 -0.087 -0.071 0.157 36 H 1 -0.0103 0.938 -0.3466 0.7052 -0.2389 -0.6675 0.7089 0.2513 0.659 -5.0E-4 -4.0E-4 8.0E-4 -0.244 -0.199 0.444 -0.087 -0.071 0.158 -0.082 -0.066 0.148 37 H 1 0.0426 0.9845 -0.17 -0.6033 0.161 0.7811 0.7964 0.0693 0.6008 -0.0016 -9.0E-4 0.0025 -0.218 -0.118 0.336 -0.078 -0.042 0.12 -0.073 -0.039 0.112 38 C 13 0.1035 0.9904 0.0912 -0.585 -0.0136 0.8109 0.8044 -0.1373 0.578 -0.001 -6.0E-4 0.0016 -0.555 -0.303 0.858 -0.198 -0.108 0.306 -0.185 -0.101 0.286 39 H 1 0.0424 0.9792 -0.1983 -0.5049 0.1923 0.8415 0.8622 0.0644 0.5025 -0.0025 -7.0E-4 0.0032 -1.324 -0.383 1.707 -0.473 -0.137 0.609 -0.442 -0.128 0.57 40 H 1 -0.0265 0.9264 -0.3756 -0.5441 0.3018 0.7829 0.8386 0.2251 0.496 -0.001 -6.0E-4 0.0015 -0.521 -0.305 0.826 -0.186 -0.109 0.295 -0.174 -0.102 0.276 41 H 1 -0.3087 0.9094 -0.2788 0.7505 0.0528 -0.6587 0.5843 0.4126 0.6988 -0.0016 -0.0012 0.0028 -0.212 -0.167 0.379 -0.076 -0.06 0.135 -0.071 -0.056 0.126 42 C 13 -0.4693 0.8311 -0.2985 -0.6344 -0.0822 0.7686 0.6142 0.5501 0.5658 -0.0026 -0.0018 0.0043 -1.371 -0.94 2.311 -0.489 -0.335 0.825 -0.457 -0.314 0.771 43 H 1 0.0403 0.8199 -0.571 0.8895 -0.2898 -0.3533 0.4552 0.4937 0.741 -0.0012 -9.0E-4 0.0021 -0.642 -0.463 1.106 -0.229 -0.165 0.395 -0.214 -0.155 0.369 44 H 1 -0.1979 0.8035 -0.5615 0.7384 -0.2545 -0.6245 0.6447 0.5382 0.5429 -0.001 -7.0E-4 0.0017 -0.525 -0.392 0.918 -0.187 -0.14 0.327 -0.175 -0.131 0.306 45 H 1 (Enter /usr/local/CompChem/Gaussian/g16/l716.exe) PT22982.100S 2024-07-23T23:33:31.000 -19.23018 -14.52585 -14.44112 -14.43691 -10.37295 -10.35932 -10.35221 -10.35198 -10.33993 -10.33724 -10.33649 -10.32887 -10.32775 -10.32210 -10.31966 -10.31514 -10.31293 -10.30826 -10.30560 -10.30402 -10.30207 -10.30187 -10.30164 -10.29662 -6.93659 -6.85243 -4.95820 -4.94428 -4.94416 -1.99200 -1.98786 -1.98776 -1.97592 -1.97591 -1.12000 -1.08632 -1.03575 -1.03252 -0.92986 -0.92323 -0.90300 -0.89573 -0.87997 -0.87313 -0.84538 -0.78881 -0.78582 -0.76486 -0.76303 -0.75392 -0.75166 -0.72699 -0.72213 -0.69602 -0.67390 -0.63835 -0.62999 -0.61790 -0.61023 -0.59818 -0.58582 -0.58083 -0.56582 -0.56063 -0.55133 -0.54684 -0.54342 -0.53658 -0.53587 -0.52924 -0.52246 -0.51549 -0.50519 -0.49180 -0.49062 -0.48265 -0.48092 -0.47905 -0.47832 -0.46811 -0.46672 -0.46067 -0.45650 -0.45448 -0.43126 -0.43072 -0.42084 -0.41383 -0.37617 -0.37391 -0.36826 -0.36583 -0.35849 -0.34143 -0.33209 -0.32987 -0.31937 -0.31893 -0.31633 -0.21009 -0.02400 0.00947 0.03433 0.03892 0.04540 0.05508 0.12390 0.12917 0.13491 0.13724 0.15637 0.16083 0.17702 0.18165 0.18586 0.18732 0.18937 0.19160 0.19388 0.19649 0.20447 0.20827 0.21831 0.22478 0.23152 0.23472 0.23720 0.24426 0.25190 0.25406 0.26007 0.26318 0.27594 0.28337 0.29002 0.29759 0.30434 0.30883 0.31457 0.32577 0.32884 0.34293 0.34512 0.35417 0.35867 0.36425 0.37194 0.37280 0.37525 0.39423 0.40001 0.40408 0.40802 0.41017 0.42759 0.43531 0.43577 0.45083 0.45897 0.45958 0.46058 0.46611 0.47803 0.48040 0.48872 0.49735 0.50132 0.50415 0.51634 0.52002 0.52607 0.52880 0.53237 0.54207 0.54613 0.55350 0.55796 0.56319 0.56968 0.57366 0.57909 0.58167 0.59055 0.59260 0.60321 0.62311 0.63126 0.63625 0.63768 0.64523 0.65350 0.65724 0.66687 0.67087 0.67269 0.67769 0.68237 0.69188 0.69300 0.70035 0.70355 0.71044 0.71246 0.71931 0.72104 0.72850 0.73024 0.73429 0.74048 0.74321 0.74431 0.74883 0.75029 0.75387 0.75934 0.76528 0.77282 0.77467 0.78013 0.78101 0.78558 0.78787 0.79246 0.79592 0.79742 0.80417 0.80979 0.81331 0.81924 0.82300 0.82579 0.83251 0.83778 0.84179 0.84541 0.85535 0.85981 0.86812 0.87444 0.87804 0.88945 0.89671 0.90313 0.91694 0.92028 0.93211 0.94145 0.96027 0.97320 0.97964 1.00702 1.00884 1.02949 1.04640 1.04965 1.05919 1.08601 1.09092 1.11564 1.12028 1.13085 1.13780 1.14839 1.16190 1.16598 1.16963 1.18904 1.19255 1.20426 1.21122 1.23059 1.23564 1.23970 1.25087 1.26924 1.28126 1.28736 1.29460 1.29979 1.30589 1.30783 1.31901 1.32926 1.33629 1.34238 1.34540 1.35670 1.36280 1.36647 1.37450 1.38378 1.39660 1.39699 1.40836 1.41415 1.42063 1.44875 1.45878 1.47449 1.50995 1.51929 1.52563 1.54969 1.55272 1.55780 1.58882 1.59390 1.60211 1.61483 1.62152 1.62729 1.64408 1.66727 1.67165 1.70224 1.70715 1.71685 1.73290 1.75180 1.75915 1.76807 1.77324 1.78517 1.78904 1.79398 1.79721 1.80195 1.81213 1.81776 1.83211 1.83558 1.83751 1.84361 1.84460 1.84791 1.85614 1.86019 1.86259 1.86550 1.87143 1.88185 1.88488 1.89467 1.90052 1.91460 1.91556 1.91796 1.92512 1.93497 1.94453 1.95370 1.96670 1.96819 1.97789 1.99567 2.00033 2.01237 2.01487 2.01828 2.02544 2.02859 2.03211 2.03413 2.04982 2.05746 2.07096 2.07915 2.08959 2.09852 2.10340 2.11245 2.12277 2.12950 2.15225 2.15533 2.18444 2.19896 2.20482 2.21183 2.21630 2.22555 2.24348 2.25515 2.26990 2.28584 2.28767 2.29421 2.30082 2.30530 2.31382 2.32495 2.35729 2.36369 2.38236 2.38639 2.39355 2.40600 2.41932 2.43148 2.44680 2.46773 2.47301 2.47385 2.47730 2.47949 2.49262 2.49902 2.50828 2.51779 2.52114 2.53762 2.54116 2.54540 2.58762 2.61192 2.62153 2.63031 2.66301 2.66590 2.67061 2.67725 2.68475 2.70934 2.71956 2.72588 2.73395 2.74928 2.75981 2.78597 2.79404 2.79789 2.80884 2.81529 2.82488 2.82816 2.83248 2.83923 2.85986 2.86868 2.90409 2.91439 2.94449 2.94530 2.95021 2.98535 3.00504 3.00768 3.02160 3.02477 3.04920 3.05585 3.05890 3.07316 3.08681 3.10165 3.11561 3.15351 3.16037 3.18743 3.19380 3.20937 3.22548 3.24173 3.24470 3.38648 3.44684 3.48397 3.49645 3.67223 3.72975 3.76313 3.77107 18.91785 19.08909 19.32282 56.73358 -19.22760 -14.52746 -14.43993 -14.43581 -10.37327 -10.35932 -10.34990 -10.34967 -10.34061 -10.33712 -10.33453 -10.33015 -10.32903 -10.32287 -10.32042 -10.31579 -10.31353 -10.30718 -10.30462 -10.30290 -10.30207 -10.30164 -10.30084 -10.29661 -6.93655 -6.84927 -4.95818 -4.94422 -4.94413 -1.99198 -1.98783 -1.98774 -1.97587 -1.97587 -1.11527 -1.08561 -1.03428 -1.03120 -0.92741 -0.92321 -0.90062 -0.89429 -0.87680 -0.87143 -0.84460 -0.78880 -0.78581 -0.76316 -0.75976 -0.75125 -0.74988 -0.72402 -0.72081 -0.69596 -0.67182 -0.63684 -0.62993 -0.61705 -0.60682 -0.59658 -0.58264 -0.58041 -0.56554 -0.55989 -0.54994 -0.54629 -0.54152 -0.53636 -0.53494 -0.52603 -0.51955 -0.51027 -0.50339 -0.49094 -0.48842 -0.48247 -0.47986 -0.47810 -0.47748 -0.46529 -0.46237 -0.45871 -0.45464 -0.45333 -0.43101 -0.43029 -0.41622 -0.40542 -0.37559 -0.36631 -0.36175 -0.36005 -0.34507 -0.33834 -0.32896 -0.32746 -0.31881 -0.31678 -0.31465 -0.03179 0.00044 0.02167 0.03952 0.03998 0.05363 0.05899 0.12404 0.13653 0.14041 0.15109 0.15665 0.16102 0.17680 0.18289 0.18680 0.18903 0.19093 0.19250 0.19443 0.19818 0.20500 0.20832 0.21936 0.22920 0.23219 0.23476 0.23746 0.24485 0.25212 0.25470 0.26187 0.26371 0.27730 0.28434 0.29045 0.29892 0.30817 0.31194 0.31474 0.32704 0.32970 0.34434 0.34666 0.35532 0.36011 0.37083 0.37311 0.37358 0.37661 0.39656 0.40142 0.40520 0.40984 0.41240 0.42811 0.43593 0.44031 0.45127 0.46038 0.46119 0.46644 0.47031 0.47823 0.48406 0.48995 0.49852 0.50247 0.50432 0.51771 0.52038 0.52819 0.53002 0.53301 0.54287 0.54807 0.55383 0.55867 0.56561 0.57069 0.57499 0.58096 0.58241 0.59001 0.59213 0.60328 0.62385 0.63020 0.63534 0.64192 0.64641 0.65480 0.65858 0.66810 0.67222 0.67432 0.67899 0.68404 0.69259 0.69466 0.70056 0.70410 0.71170 0.71278 0.71918 0.72080 0.72933 0.73111 0.73514 0.74079 0.74364 0.74521 0.74972 0.75100 0.75446 0.76072 0.76592 0.77350 0.77509 0.77984 0.78181 0.78617 0.78928 0.79341 0.79676 0.79787 0.80482 0.81049 0.81370 0.82053 0.82360 0.82674 0.83382 0.83863 0.84286 0.84612 0.85657 0.86035 0.86867 0.87569 0.87825 0.89028 0.89742 0.90405 0.91824 0.92160 0.93362 0.94322 0.96286 0.97379 0.98103 1.00806 1.01025 1.02992 1.04732 1.05341 1.06039 1.09098 1.09635 1.11827 1.12126 1.13243 1.13952 1.15014 1.16475 1.16812 1.17552 1.19239 1.20030 1.20521 1.21276 1.23249 1.23700 1.24165 1.25154 1.27105 1.28336 1.28911 1.29586 1.30148 1.30723 1.30979 1.32165 1.33172 1.33719 1.34319 1.34647 1.35858 1.36351 1.36775 1.37501 1.38491 1.39808 1.39870 1.41027 1.41858 1.42213 1.45136 1.46354 1.47519 1.51170 1.52126 1.52753 1.55080 1.55584 1.55824 1.59406 1.60237 1.60600 1.61488 1.62169 1.62819 1.64642 1.66750 1.67181 1.70610 1.70867 1.71778 1.73408 1.75345 1.75996 1.76830 1.77502 1.78555 1.78982 1.79565 1.79843 1.80340 1.81456 1.81814 1.83499 1.83703 1.83853 1.84416 1.84695 1.84989 1.85675 1.86155 1.86482 1.86769 1.87391 1.88265 1.88540 1.89490 1.90092 1.91521 1.91572 1.91862 1.92627 1.93511 1.94548 1.95438 1.96755 1.96845 1.98044 1.99597 2.00080 2.01278 2.01494 2.02000 2.02768 2.02986 2.03280 2.03547 2.05080 2.05960 2.07286 2.07938 2.09400 2.10054 2.10467 2.11471 2.12353 2.13307 2.15291 2.15611 2.18678 2.20056 2.20633 2.21137 2.21658 2.22734 2.24362 2.25515 2.27011 2.28585 2.28915 2.29459 2.30108 2.30868 2.31522 2.32706 2.35809 2.36472 2.38406 2.38789 2.39700 2.40754 2.42221 2.43400 2.44684 2.46946 2.47341 2.47434 2.47810 2.48072 2.49458 2.50131 2.50995 2.51945 2.52199 2.53814 2.54165 2.54711 2.58901 2.61261 2.62155 2.63033 2.66409 2.66813 2.67191 2.67929 2.68596 2.70939 2.72232 2.72648 2.73593 2.74977 2.76079 2.78733 2.79522 2.79816 2.80957 2.82084 2.82574 2.83117 2.83467 2.83947 2.86061 2.87410 2.90641 2.91669 2.94459 2.94644 2.95059 2.98675 3.00518 3.00877 3.02164 3.02479 3.04993 3.05619 3.05990 3.07344 3.08748 3.10213 3.11612 3.15353 3.16038 3.18848 3.19480 3.21043 3.22668 3.24532 3.24895 3.38710 3.44807 3.48503 3.49737 3.67271 3.73114 3.76549 3.77168 18.91790 19.08919 19.32287 56.73360 2-A. 1.95343346e+00 2.09575826e-01 -9.93532499e-01 4.16518832e+02 -7.92526562e+00 3.37252842e+02 -1.42989310e+02 2.44230274e+01 2.58106475e+02 -3.0119 -0.0005 -0.0001 0.0004 1.1587 5.5741 11.7902 18.6794 24.1573 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 11.7230 18.6668 24.1025 30.8732 39.2916 44.7089 63.9486 73.8901 92.2889 108.5602 137.0610 159.1789 193.7150 239.1222 242.4452 253.0538 258.9498 261.2134 262.0905 272.1826 281.8530 310.2819 317.1246 351.2577 366.7316 372.0487 399.2188 401.8640 416.7688 423.4705 428.7732 471.9802 479.1115 512.7591 516.6187 568.1340 611.5230 629.7515 636.0077 670.3328 683.7843 694.5027 702.5104 743.7069 784.1193 786.7775 797.1622 813.8232 830.6971 835.7258 885.7280 897.8666 907.8211 946.4708 947.3191 948.9705 967.5195 969.5166 971.3771 975.1094 1001.1072 1002.8817 1024.6804 1037.2432 1041.5708 1044.8916 1045.8797 1046.3340 1080.0797 1087.1288 1095.1997 1102.6557 1115.3451 1126.7084 1132.2105 1165.7198 1168.0179 1179.7263 1194.4287 1207.2644 1261.5980 1263.5037 1268.4260 1284.8032 1287.5900 1328.6103 1339.5909 1341.8668 1360.5056 1397.6100 1399.6164 1400.1603 1420.4472 1449.4243 1450.3054 1459.3971 1461.5726 1465.1603 1476.8847 1478.7299 1485.5720 1493.7421 1500.5967 1519.1660 1530.6230 1603.1323 1623.2038 1630.5079 1667.8663 1676.0313 1685.2255 1777.6889 3040.1648 3042.2257 3046.6800 3136.3670 3139.8768 3142.2690 3166.6853 3168.3320 3168.6202 3182.4979 3185.5275 3200.3398 3222.3328 3223.5892 3223.9115 3229.1337 3236.4649 3236.7253 3237.0951 3244.4536 10.1147 6.7199 5.5462 3.9919 8.1938 3.8269 4.0926 4.1915 5.5839 5.0059 5.3359 5.7379 5.1818 5.3503 5.0432 1.2286 2.2918 3.6863 2.0954 4.3932 8.0043 1.0965 1.1087 6.4879 5.6075 6.4644 2.2472 2.2443 3.0121 4.7511 10.5667 4.2683 3.7578 3.6960 2.4132 8.6988 3.9151 7.8046 7.5133 6.3421 7.0247 1.8717 8.4019 4.5573 1.6689 2.6531 6.5134 1.7394 3.0139 1.7212 1.3408 3.7616 5.1558 5.8991 1.5277 1.5119 1.5654 1.7531 2.9820 2.9798 1.4070 1.4324 1.4103 1.3754 1.3741 1.4373 1.4240 1.4183 2.2011 2.6307 1.8853 2.5793 1.5877 1.7081 1.6004 1.8607 1.1698 2.4394 1.8066 2.7933 2.5711 2.5966 1.5957 3.2914 1.9201 6.5724 8.1950 7.8250 2.2070 1.3183 1.2775 1.2571 1.2327 2.9874 1.0468 1.0681 1.8809 1.2631 1.0627 1.0646 2.5142 1.0702 2.8549 3.2476 1.8758 4.1370 6.1804 6.3250 5.8726 6.9557 5.1578 12.0236 1.0407 1.0425 1.0422 1.0989 1.0976 1.0976 1.0917 1.1059 1.0917 1.1036 1.1032 1.0982 1.0905 1.0903 1.0906 1.0949 1.0966 1.0988 1.0993 1.1010 0.0008 0.0014 0.0019 0.0022 0.0075 0.0045 0.0099 0.0135 0.0280 0.0348 0.0591 0.0857 0.1146 0.1802 0.1747 0.0464 0.0905 0.1482 0.0848 0.1918 0.3746 0.0622 0.0657 0.4716 0.4443 0.5272 0.2110 0.2135 0.3083 0.5020 1.1446 0.5602 0.5082 0.5725 0.3795 1.6543 0.8626 1.8236 1.7906 1.6791 1.9351 0.5319 2.4431 1.4851 0.6046 0.9676 2.4387 0.6787 1.2254 0.7083 0.6197 1.7867 2.5035 3.1135 0.8078 0.8022 0.8634 0.9709 1.6578 1.6693 0.8308 0.8488 0.8724 0.8719 0.8783 0.9246 0.9177 0.9149 1.5128 1.8319 1.3323 1.8477 1.1637 1.2776 1.2087 1.4898 0.9403 2.0003 1.5186 2.3987 2.4111 2.4423 1.5126 3.2011 1.8756 6.8355 8.6645 8.3014 2.4069 1.5171 1.4744 1.4521 1.4654 3.6977 1.2972 1.3404 2.3674 1.5975 1.3658 1.3716 3.2692 1.4070 3.7877 4.4160 2.5892 6.2644 9.5943 9.9073 9.6251 11.5122 8.6304 22.3871 5.6670 5.6848 5.6995 6.3689 6.3758 6.3856 6.4499 6.5410 6.4577 6.5855 6.5959 6.6268 6.6715 6.6753 6.6783 6.7266 6.7678 6.7824 6.7872 6.8282 0.0621 0.2935 0.0486 0.5986 0.7464 0.6923 0.5760 0.5732 4.1978 0.2780 4.7041 1.3849 1.7536 1.4279 0.7019 0.0483 0.8045 2.2921 0.5823 1.6260 30.3400 0.1621 0.4085 14.7725 20.0411 10.1612 0.0765 0.1812 0.0884 5.7988 0.2535 5.0832 1.1986 5.1999 12.8056 59.1189 23.3390 0.2534 2.5385 0.7038 15.0633 57.2265 0.3173 15.9493 5.0852 31.8318 19.9238 52.5199 5.9873 4.7097 222.9732 0.0555 826.6194 2.7234 0.2017 2.1861 75.1715 207.0540 34.2415 1061.9504 0.4230 0.9015 1.4534 2.1171 0.1008 0.3728 0.1246 0.6569 34.9462 93.4449 0.4861 161.9455 14.4488 5.1600 230.1136 62.1780 4.0105 291.9687 10.8688 18.3272 2.6429 0.7412 25.1607 12.8112 10.1816 6.9552 2.8171 29.9597 28.8927 10.0481 8.2704 8.8213 0.1012 137.1022 0.4503 10.4737 245.8229 68.2522 9.4479 7.4581 5.9866 6.8437 52.3665 5.0188 86.6907 0.2678 6.5147 256.5228 96.4078 173.5127 376.4036 556.7758 11.0597 10.0159 45.6163 3.6677 1.6414 14.3871 31.1600 6.0339 28.7940 4.0065 1.8321 32.3401 32.9437 2.3250 1.0588 18.0355 5.6043 9.0578 2.9867 0.5412 -0.15 0.08 -0.12 -0.23 0.11 -0.22 -0.03 0.04 0.05 -0.02 0.03 0.07 -0.01 0.03 0.06 -0.02 0.03 0.07 -0.02 0.04 0.07 -0.01 0.02 0.07 -0.00 0.03 0.06 -0.01 0.02 0.07 -0.02 0.03 0.08 -0.00 0.02 0.06 -0.01 0.02 0.07 -0.01 0.03 0.06 -0.12 0.07 -0.09 -0.08 0.06 -0.02 -0.02 0.04 0.07 -0.05 0.05 -0.00 -0.08 0.07 -0.00 -0.02 0.05 0.10 0.04 0.03 0.19 0.04 0.02 0.17 -0.13 0.09 -0.07 -0.01 0.05 0.12 0.10 0.01 0.27 -0.05 0.05 -0.03 -0.12 0.07 -0.12 -0.16 0.08 -0.16 -0.01 0.04 0.03 -0.21 0.10 -0.23 -0.01 0.04 0.01 -0.15 0.08 -0.17 0.02 -0.00 0.02 0.03 -0.03 0.02 0.02 -0.11 0.05 0.09 -0.02 -0.04 -0.02 0.03 0.05 0.04 0.11 -0.02 0.09 0.12 -0.08 0.03 0.13 -0.02 -0.01 0.16 0.01 -0.06 -0.02 0.10 -0.07 -0.00 0.10 -0.07 -0.10 0.13 -0.11 0.03 0.13 0.11 -0.11 -0.04 -0.12 -0.03 -0.09 -0.18 -0.04 -0.17 -0.01 -0.03 0.04 -0.02 -0.02 0.02 -0.02 -0.02 0.04 -0.03 -0.02 -0.00 -0.01 -0.02 0.02 -0.03 -0.02 0.02 -0.01 -0.02 0.06 -0.04 -0.02 -0.01 -0.03 -0.02 -0.02 -0.03 -0.01 0.02 -0.05 -0.02 -0.02 -0.01 -0.02 0.04 -0.06 -0.04 -0.00 -0.09 -0.03 -0.08 -0.04 -0.03 -0.01 -0.01 -0.03 0.06 -0.12 -0.03 -0.14 -0.10 -0.03 -0.12 -0.04 -0.03 -0.05 -0.01 -0.03 0.01 -0.17 -0.03 -0.19 -0.12 -0.03 -0.17 -0.02 -0.03 -0.03 0.05 -0.04 0.17 -0.00 -0.05 0.10 -0.06 -0.04 0.01 0.05 -0.04 0.15 -0.11 -0.04 -0.04 0.10 -0.04 0.24 0.00 -0.05 0.12 0.12 -0.03 -0.04 0.16 -0.04 -0.06 0.21 0.02 -0.06 0.11 -0.07 -0.05 0.21 -0.10 -0.10 0.07 -0.11 -0.05 0.01 -0.14 -0.04 0.04 -0.10 -0.04 0.11 -0.17 -0.08 0.20 0.01 -0.06 0.16 0.02 -0.04 0.25 0.08 -0.05 0.25 -0.05 -0.11 0.03 0.09 0.03 0.01 -0.01 0.04 0.04 -0.01 0.08 -0.03 -0.03 0.00 -0.01 -0.05 0.10 -0.01 -0.07 0.01 0.02 -0.07 0.14 -0.01 -0.04 0.10 0.01 -0.09 0.06 -0.02 -0.07 -0.03 0.02 -0.09 0.12 0.02 -0.07 0.19 0.02 -0.10 0.04 0.04 -0.10 0.16 -0.02 -0.05 0.03 0.02 -0.02 0.04 -0.05 -0.01 -0.02 -0.06 -0.02 -0.03 -0.01 -0.03 0.01 -0.10 0.01 -0.07 -0.15 0.02 -0.13 -0.16 0.01 -0.14 -0.11 -0.01 -0.09 -0.08 0.01 -0.05 -0.19 0.03 -0.17 -0.20 0.01 -0.18 0.02 -0.03 0.01 0.06 -0.03 0.05 0.05 -0.02 0.06 -0.00 -0.04 -0.01 0.07 -0.01 0.09 0.02 -0.04 -0.00 0.08 -0.03 0.06 -0.02 0.11 0.02 -0.01 0.07 0.02 -0.02 -0.01 0.05 0.04 0.08 -0.04 -0.06 0.12 0.06 -0.01 0.22 -0.02 0.04 0.23 -0.08 -0.01 0.25 -0.02 -0.05 0.28 0.02 -0.09 0.10 0.11 -0.09 0.13 0.10 -0.11 0.02 0.13 -0.14 0.15 0.15 0.06 0.01 -0.05 -0.00 0.00 -0.05 -0.03 0.01 -0.08 0.02 -0.01 -0.01 0.02 -0.01 -0.01 -0.05 -0.03 -0.12 -0.00 -0.01 -0.06 0.07 0.00 0.05 -0.09 -0.03 -0.17 -0.06 -0.03 -0.13 -0.06 -0.02 -0.14 0.02 -0.00 -0.03 -0.13 -0.04 -0.24 -0.08 -0.02 -0.18 -0.00 -0.01 -0.05 0.03 -0.01 -0.02 0.01 -0.00 -0.02 0.03 -0.01 0.00 0.04 -0.01 -0.00 0.02 -0.00 -0.01 0.04 -0.01 0.02 0.05 -0.02 0.04 0.05 -0.02 0.03 0.00 0.00 -0.03 0.04 -0.01 0.03 0.07 -0.02 0.07 0.09 -0.02 0.05 0.08 -0.01 0.04 0.05 -0.01 0.00 0.07 -0.02 0.03 0.04 0.00 -0.01 0.12 -0.03 0.08 0.10 -0.01 0.05 -0.04 0.03 0.06 0.05 -0.09 0.03 0.11 -0.17 0.10 0.07 -0.13 -0.10 0.05 -0.08 0.04 -0.11 0.14 -0.05 -0.10 0.11 -0.18 -0.17 0.23 -0.03 -0.12 0.15 -0.03 -0.06 0.07 0.23 -0.12 0.17 0.25 -0.01 0.00 0.31 -0.07 0.09 0.26 -0.02 0.01 0.02 0.01 0.01 -0.02 0.03 0.01 0.01 -0.01 0.02 -0.03 0.01 0.03 -0.01 -0.08 0.01 -0.13 -0.02 0.03 -0.05 0.05 0.04 0.06 -0.11 0.01 -0.18 -0.09 0.01 -0.15 -0.08 0.02 -0.14 0.01 0.04 -0.02 -0.15 -0.00 -0.24 -0.11 0.01 -0.19 -0.02 0.02 -0.05 -0.00 0.02 -0.02 -0.02 0.02 -0.05 -0.01 0.02 -0.05 -0.01 0.02 -0.04 -0.05 0.02 -0.10 -0.07 0.03 -0.15 -0.06 0.04 -0.14 -0.03 0.03 -0.09 -0.05 0.02 -0.11 -0.10 0.04 -0.20 -0.08 0.04 -0.17 -0.03 0.02 -0.06 -0.01 0.02 -0.03 0.00 0.02 -0.02 -0.03 0.02 -0.06 0.02 0.02 0.00 -0.05 0.02 -0.08 -0.01 0.02 -0.03 -0.02 0.01 0.01 -0.03 0.19 -0.01 -0.05 0.23 -0.04 0.03 0.25 0.09 -0.07 0.22 -0.08 0.01 -0.04 0.06 0.08 0.02 0.15 0.01 -0.18 0.08 -0.04 -0.00 -0.03 -0.09 -0.07 -0.12 -0.07 -0.19 -0.12 -0.13 -0.04 -0.16 -0.14 -0.03 -0.17 0.08 -0.06 0.15 0.02 -0.01 0.02 0.06 -0.02 0.07 0.00 0.01 -0.01 -0.04 -0.01 -0.07 0.06 0.02 0.08 -0.03 -0.01 -0.05 -0.08 -0.01 -0.13 0.08 0.02 0.11 0.09 0.03 0.12 0.03 0.00 0.04 -0.07 -0.02 -0.11 0.13 0.03 0.18 0.04 0.00 0.06 0.01 0.01 -0.00 -0.02 0.00 -0.02 0.01 -0.00 0.00 -0.01 0.00 -0.02 -0.02 0.01 -0.02 0.01 -0.00 0.00 -0.01 0.00 -0.03 -0.04 0.01 -0.06 -0.03 0.01 -0.06 0.03 -0.01 0.02 -0.02 0.00 -0.04 -0.06 0.01 -0.09 -0.09 0.02 -0.10 -0.10 0.01 -0.11 -0.06 0.00 -0.07 -0.04 0.01 -0.05 -0.06 0.00 -0.07 -0.11 0.02 -0.12 -0.14 0.02 -0.15 0.02 -0.03 -0.02 0.17 -0.13 -0.09 0.26 -0.17 0.00 0.17 -0.17 -0.20 0.17 -0.15 -0.13 -0.10 0.01 -0.14 -0.11 -0.02 -0.25 -0.19 0.10 -0.10 -0.09 -0.01 -0.17 0.02 0.02 0.13 -0.10 0.09 0.19 0.12 0.00 0.24 0.03 -0.00 0.08 0.01 0.01 0.05 0.02 -0.00 0.05 0.05 -0.01 0.09 0.01 0.01 0.04 0.09 0.04 0.18 -0.10 -0.01 -0.11 0.08 0.04 0.17 0.17 0.05 0.29 -0.11 -0.01 -0.14 -0.15 -0.03 -0.20 -0.02 0.02 -0.00 0.16 0.07 0.28 -0.20 -0.03 -0.27 -0.04 0.02 -0.02 0.01 0.01 0.04 -0.02 0.01 -0.00 0.01 0.00 0.02 0.01 0.01 0.02 -0.01 0.01 0.01 -0.00 -0.00 -0.01 -0.01 0.01 -0.06 -0.01 0.02 -0.06 0.01 0.02 -0.02 -0.00 -0.02 -0.01 -0.03 0.00 -0.09 -0.02 0.03 -0.09 -0.07 0.02 -0.07 -0.10 0.02 -0.11 -0.07 0.01 -0.06 -0.02 0.01 -0.01 -0.08 0.02 -0.08 -0.08 0.02 -0.08 -0.15 0.03 -0.16 0.07 -0.06 0.04 0.05 -0.13 0.06 0.05 -0.13 0.06 0.01 -0.16 0.04 0.08 -0.16 0.10 0.07 -0.07 0.05 0.00 -0.11 0.02 0.08 0.01 0.03 0.12 -0.11 0.10 0.13 -0.02 0.06 0.12 0.02 0.06 0.15 0.00 0.07 0.17 -0.05 0.07 -0.01 0.01 -0.02 -0.02 0.01 -0.03 -0.03 0.01 -0.05 -0.03 0.02 -0.04 0.06 0.04 0.12 -0.06 0.00 -0.08 0.12 0.06 0.20 0.09 0.04 0.15 -0.01 0.02 0.01 -0.12 -0.01 -0.18 0.09 0.05 0.16 0.19 0.08 0.32 -0.04 0.01 -0.05 0.13 0.06 0.24 -0.01 0.02 -0.01 0.00 0.01 0.00 -0.01 0.01 -0.02 -0.01 0.01 -0.02 -0.03 0.01 -0.04 0.02 -0.00 0.01 0.05 -0.00 0.03 0.04 0.00 0.02 0.01 0.01 -0.01 0.02 -0.01 0.01 0.07 -0.01 0.06 0.06 0.00 0.04 0.03 0.00 0.02 0.08 -0.00 0.10 0.06 -0.00 0.07 -0.03 0.01 -0.04 0.10 -0.00 0.11 0.02 0.01 0.02 0.14 -0.01 0.16 -0.04 -0.02 -0.12 0.06 -0.01 -0.17 0.12 0.00 -0.13 0.08 -0.00 -0.20 0.04 -0.01 -0.24 -0.11 -0.03 -0.17 -0.11 -0.04 -0.21 -0.15 -0.00 -0.14 -0.10 -0.04 -0.20 -0.06 -0.03 -0.09 -0.12 -0.04 -0.06 -0.02 -0.02 -0.05 -0.07 -0.03 -0.15 -0.02 -0.02 0.02 0.04 -0.00 0.05 0.05 -0.01 0.07 0.12 -0.00 0.16 0.09 -0.01 0.09 0.08 -0.00 0.10 0.01 -0.02 -0.04 0.12 -0.00 0.14 0.00 -0.02 -0.02 0.10 0.00 0.14 -0.04 -0.03 -0.11 -0.00 -0.03 -0.08 -0.02 -0.02 -0.06 -0.10 -0.04 -0.21 0.10 -0.00 0.13 0.04 0.00 0.06 0.02 0.01 0.01 0.10 -0.00 0.13 0.07 0.00 0.10 -0.09 0.03 -0.15 -0.10 0.04 -0.16 0.05 0.01 0.03 0.14 -0.01 0.17 -0.18 0.05 -0.26 -0.19 0.05 -0.30 0.08 0.00 0.07 -0.02 0.01 0.00 -0.06 0.02 -0.05 -0.03 0.01 -0.01 0.05 0.01 0.08 -0.05 0.01 -0.05 -0.04 0.02 -0.02 -0.11 0.02 -0.11 -0.07 0.02 -0.10 -0.03 0.05 -0.12 -0.01 0.06 -0.11 -0.00 0.07 -0.12 -0.05 0.06 -0.17 -0.09 0.02 -0.12 -0.06 0.03 -0.12 -0.11 0.00 -0.10 -0.11 0.04 -0.14 -0.10 -0.00 -0.09 -0.09 -0.01 -0.09 -0.11 -0.02 -0.09 -0.12 0.02 -0.09 -0.03 -0.01 -0.01 -0.00 0.00 -0.00 -0.02 -0.00 -0.03 0.03 0.03 0.04 0.01 -0.01 0.08 0.03 -0.02 0.02 -0.02 -0.05 0.04 0.02 0.01 0.10 0.00 -0.06 -0.03 0.07 -0.01 0.02 -0.03 -0.08 -0.03 -0.04 -0.06 0.06 0.00 -0.09 -0.06 -0.06 -0.11 -0.07 0.03 0.00 0.05 -0.03 0.02 -0.03 0.05 -0.00 0.05 -0.01 0.03 -0.04 0.06 0.02 0.08 0.15 -0.04 0.15 0.12 -0.02 0.07 -0.04 0.04 -0.15 -0.09 0.06 -0.19 0.23 -0.07 0.26 0.19 -0.04 0.15 -0.11 0.07 -0.28 0.08 0.01 0.14 -0.08 0.02 -0.06 -0.13 0.02 -0.13 0.14 0.01 0.20 -0.22 0.03 -0.25 0.17 0.01 0.26 -0.16 0.03 -0.14 -0.04 0.02 -0.05 -0.02 0.06 -0.06 -0.02 0.06 -0.06 -0.01 0.07 -0.05 -0.04 0.06 -0.08 -0.04 0.02 -0.05 -0.02 0.04 -0.04 -0.05 -0.00 -0.04 -0.06 0.04 -0.07 -0.06 0.00 -0.06 -0.03 -0.00 -0.07 -0.08 -0.01 -0.07 -0.07 0.02 -0.04 -0.01 -0.01 0.00 -0.02 0.00 -0.02 -0.13 0.00 -0.15 0.03 0.05 0.04 0.02 -0.00 0.13 0.11 -0.01 0.09 -0.07 -0.09 0.01 0.03 0.03 0.19 0.02 -0.11 -0.02 0.15 0.01 0.11 -0.09 -0.15 -0.11 -0.14 -0.11 0.00 0.04 -0.14 -0.07 -0.18 -0.22 -0.24 0.07 0.02 0.11 0.03 0.01 0.07 0.04 0.00 0.02 0.03 0.04 0.00 -0.03 0.05 -0.01 0.08 -0.03 0.03 0.10 -0.01 -0.01 0.04 0.04 -0.09 0.01 0.07 -0.08 0.10 -0.06 0.06 0.13 -0.03 0.00 0.03 0.06 -0.17 -0.16 0.06 -0.10 -0.00 0.01 0.11 0.08 -0.01 0.18 -0.15 0.08 -0.14 0.16 -0.04 0.28 -0.29 0.10 -0.23 0.03 -0.00 0.18 0.01 -0.01 0.01 0.01 -0.03 0.01 0.01 -0.04 0.02 0.01 -0.03 -0.01 0.01 -0.03 0.02 0.01 -0.00 0.01 0.00 -0.01 -0.00 0.02 0.01 -0.00 0.02 -0.01 0.02 0.01 -0.00 0.02 -0.01 0.00 0.03 0.04 0.01 0.04 0.02 -0.01 -0.00 -0.00 0.00 -0.01 -0.02 -0.00 -0.04 0.15 -0.07 0.18 -0.06 0.08 -0.11 -0.08 0.02 0.04 0.06 -0.01 -0.04 -0.10 -0.10 0.06 -0.14 0.07 0.07 0.06 -0.13 -0.02 0.13 0.02 -0.07 -0.04 -0.18 0.02 -0.17 -0.13 0.12 0.13 -0.19 -0.04 -0.05 -0.26 0.02 -0.02 0.05 -0.03 -0.10 0.03 -0.10 -0.07 0.03 -0.15 -0.03 0.06 -0.11 -0.08 0.07 -0.09 -0.03 -0.00 -0.15 0.10 -0.02 -0.01 0.18 -0.00 0.10 0.09 0.04 0.03 -0.07 -0.02 -0.19 0.15 -0.04 0.03 0.33 -0.02 0.24 0.00 0.06 0.14 -0.04 0.02 0.10 -0.10 0.01 -0.02 -0.02 0.09 0.03 -0.10 -0.03 -0.03 0.06 0.08 0.26 -0.02 0.00 0.18 0.01 -0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 0.01 0.01 -0.00 0.01 0.00 0.00 0.01 0.01 -0.00 0.01 0.01 -0.00 0.01 0.01 -0.01 0.01 0.01 -0.00 0.01 0.00 -0.00 0.01 -0.01 -0.01 0.02 0.02 0.00 0.02 0.00 -0.01 -0.01 0.00 0.00 0.00 -0.04 0.01 -0.06 0.08 0.01 0.08 -0.04 -0.05 -0.02 0.14 0.02 0.16 0.05 0.04 0.22 0.05 0.07 -0.03 0.23 -0.02 0.21 -0.05 0.09 0.04 0.04 0.02 0.31 -0.09 0.09 -0.16 0.08 0.08 -0.11 -0.12 0.13 0.03 -0.21 0.11 -0.38 0.08 -0.01 0.17 -0.08 0.00 -0.13 -0.09 -0.00 -0.09 -0.09 -0.03 -0.09 -0.07 -0.03 -0.11 -0.04 0.00 0.02 0.00 -0.02 0.10 -0.04 -0.03 0.04 -0.08 -0.04 -0.06 -0.01 0.01 0.05 0.07 -0.02 0.21 -0.04 -0.05 0.08 0.09 -0.05 -0.00 0.12 -0.02 0.03 0.02 0.01 -0.07 -0.02 -0.05 -0.08 0.03 0.03 -0.05 0.16 -0.07 0.05 0.22 -0.03 0.12 0.00 -0.00 -0.01 0.01 -0.00 -0.01 0.01 -0.03 -0.00 0.03 -0.00 -0.03 -0.01 0.01 -0.01 0.01 0.01 -0.01 -0.00 -0.00 -0.02 0.03 0.03 -0.02 0.02 0.00 0.02 -0.01 -0.01 -0.00 -0.05 -0.02 0.02 0.03 0.00 0.02 -0.01 -0.01 -0.05 -0.00 0.00 0.00 -0.02 0.01 0.03 -0.02 0.01 0.03 -0.06 0.01 0.07 -0.12 -0.01 0.04 -0.13 -0.00 0.08 -0.13 0.01 0.02 -0.12 -0.01 0.03 -0.12 0.04 0.12 -0.15 -0.01 0.10 -0.13 0.04 0.09 -0.13 0.01 -0.02 -0.11 0.05 0.15 -0.11 0.06 0.10 -0.10 -0.02 0.06 0.04 0.03 0.08 -0.07 -0.01 -0.04 -0.05 0.04 -0.02 0.03 -0.02 0.08 0.01 -0.11 -0.10 0.17 -0.09 -0.08 0.19 -0.01 -0.06 0.07 0.07 -0.06 -0.04 -0.22 -0.12 0.25 -0.15 -0.07 0.31 0.01 -0.05 0.11 -0.03 -0.14 0.11 0.04 -0.16 0.11 0.08 -0.01 0.08 -0.08 0.00 0.13 0.20 -0.01 0.11 -0.08 -0.24 0.11 0.07 -0.26 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.04 -0.01 -0.04 -0.00 0.02 0.02 -0.02 -0.01 -0.01 -0.00 -0.00 0.02 0.01 0.01 -0.02 -0.04 0.01 -0.03 0.01 -0.03 0.01 0.01 0.00 0.04 0.02 -0.02 -0.03 -0.01 -0.02 0.01 0.01 0.05 0.00 -0.00 -0.00 -0.01 -0.00 0.02 -0.02 0.00 0.01 -0.02 0.02 0.02 -0.06 0.04 0.01 -0.01 0.03 0.01 -0.08 0.00 0.01 -0.08 0.05 0.01 -0.00 0.00 0.03 0.00 0.04 -0.00 -0.04 -0.01 0.03 -0.11 -0.01 0.00 0.03 -0.01 0.05 -0.04 -0.04 0.04 -0.03 0.04 0.01 -0.13 0.02 -0.15 0.12 -0.04 0.19 0.11 -0.01 0.17 -0.12 0.00 -0.13 0.10 -0.06 0.09 -0.04 -0.02 -0.16 -0.01 0.01 -0.13 0.11 0.01 0.11 0.10 -0.11 0.11 -0.16 -0.00 -0.36 -0.08 0.05 -0.29 0.12 -0.03 0.05 0.14 -0.01 0.06 -0.06 0.04 -0.12 -0.06 -0.03 -0.11 -0.07 0.09 -0.15 0.25 -0.07 0.17 0.28 -0.01 0.21 0.00 -0.01 0.01 0.01 0.00 0.01 -0.00 -0.07 0.03 0.07 0.02 -0.03 -0.04 0.06 0.02 -0.00 -0.02 0.01 -0.04 -0.04 -0.00 0.01 0.03 0.00 0.03 -0.05 0.04 -0.02 -0.02 0.01 -0.12 -0.07 0.07 0.06 0.02 0.06 -0.03 -0.04 -0.11 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 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 -0.00 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 -0.01 0.01 -0.00 0.01 0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.01 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.01 -0.03 0.03 -0.02 -0.07 -0.00 0.01 -0.16 -0.24 0.05 0.10 0.04 -0.11 -0.22 0.17 0.14 -0.04 -0.00 -0.01 -0.36 -0.21 -0.17 0.03 0.38 -0.11 0.21 -0.21 0.25 0.06 0.06 -0.04 -0.13 0.04 0.08 0.26 0.25 0.06 0.14 -0.06 -0.27 0.01 -0.01 0.01 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.01 0.00 0.01 -0.00 -0.00 0.01 -0.02 -0.00 -0.01 -0.00 -0.00 -0.01 -0.01 0.01 0.00 0.00 -0.00 0.02 0.00 -0.00 -0.01 0.00 -0.00 0.01 0.01 -0.00 0.00 -0.02 0.00 0.01 -0.00 0.01 -0.01 0.01 -0.01 -0.01 0.01 -0.01 0.01 0.00 0.01 -0.00 0.00 -0.00 0.01 0.00 0.00 0.01 0.00 0.00 -0.00 0.01 -0.01 -0.00 0.00 -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 -0.00 0.01 0.00 0.00 0.01 0.00 -0.00 0.01 -0.01 0.01 -0.00 -0.02 0.00 -0.01 0.01 0.02 0.09 0.15 0.19 -0.01 0.23 0.22 0.05 0.29 0.27 0.03 0.06 0.25 -0.20 -0.09 -0.12 0.08 -0.16 -0.14 0.14 -0.15 -0.16 0.13 -0.03 -0.21 -0.03 -0.02 0.00 0.09 -0.29 -0.08 0.26 0.22 0.14 0.25 -0.01 -0.06 -0.23 -0.01 -0.01 -0.03 0.00 -0.03 0.02 -0.03 -0.07 -0.01 -0.01 0.02 -0.02 -0.06 0.17 0.05 0.10 0.14 -0.05 -0.09 0.04 0.06 -0.11 0.21 0.07 0.09 0.00 -0.05 0.16 0.16 -0.08 -0.02 -0.05 -0.01 -0.17 0.01 0.12 0.16 -0.06 -0.10 -0.05 -0.15 -0.02 0.02 0.19 -0.02 0.01 -0.02 0.07 0.01 -0.02 -0.02 0.00 -0.04 -0.03 -0.01 -0.04 0.06 -0.01 0.01 -0.00 -0.04 -0.01 0.03 -0.05 -0.05 0.04 -0.03 -0.06 0.00 0.00 0.04 -0.01 -0.06 0.01 0.06 -0.06 -0.06 0.07 0.04 -0.07 -0.06 0.03 -0.02 -0.08 0.03 0.01 0.01 0.03 -0.09 0.02 0.04 0.07 0.02 0.05 -0.10 -0.10 0.02 0.00 -0.16 0.04 -0.03 0.00 0.07 0.01 -0.02 0.04 -0.25 0.07 0.33 0.10 -0.16 -0.13 0.23 0.01 0.10 0.04 0.01 0.11 0.03 -0.02 0.16 0.09 -0.03 0.09 0.07 0.11 -0.07 -0.10 0.00 -0.16 -0.19 0.06 -0.02 -0.11 0.05 -0.15 -0.04 -0.12 -0.02 0.01 0.00 0.00 -0.01 0.00 -0.01 -0.03 -0.00 -0.00 0.01 -0.01 -0.02 0.08 0.03 0.05 0.06 -0.01 -0.04 0.02 0.03 -0.04 0.10 0.04 0.04 0.00 -0.02 0.07 0.07 -0.03 -0.01 -0.02 -0.01 -0.07 0.01 0.06 0.07 -0.03 -0.04 -0.03 -0.06 -0.02 0.01 0.09 -0.00 -0.01 -0.01 0.01 0.01 -0.01 -0.00 0.01 -0.02 -0.01 -0.02 -0.02 0.01 0.00 0.00 0.01 -0.03 -0.00 0.01 -0.03 -0.02 0.01 -0.01 -0.03 0.01 0.01 0.02 0.01 -0.04 0.01 0.02 -0.04 -0.03 0.02 0.02 -0.03 -0.02 0.02 -0.01 -0.02 0.01 0.00 -0.00 0.00 -0.04 -0.01 0.01 0.03 0.00 0.03 -0.04 -0.03 0.03 -0.00 -0.03 -0.04 0.05 0.01 -0.05 0.02 0.01 0.02 0.41 -0.10 -0.39 -0.07 0.22 0.22 -0.28 -0.08 -0.12 -0.05 -0.01 -0.11 -0.03 0.05 -0.20 -0.14 0.06 -0.13 -0.08 -0.15 0.10 0.13 0.01 0.21 0.25 -0.07 0.05 0.16 -0.05 0.20 0.06 0.16 0.01 -0.02 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.01 -0.00 0.00 0.01 0.01 0.01 0.02 0.01 0.01 0.00 -0.01 0.02 0.01 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.02 0.01 -0.00 -0.02 -0.00 -0.01 -0.01 0.01 0.01 0.00 0.00 -0.00 0.02 -0.01 0.00 -0.01 -0.01 -0.00 -0.01 0.00 -0.01 0.02 -0.01 0.00 -0.01 0.00 0.00 0.01 -0.00 -0.00 0.01 -0.01 -0.00 -0.01 -0.01 0.01 -0.01 0.01 0.00 0.03 0.00 -0.00 0.02 0.00 -0.01 -0.01 -0.00 -0.00 -0.01 0.00 0.00 0.01 0.01 -0.01 0.01 0.00 0.01 0.00 0.00 -0.01 -0.01 -0.01 0.00 -0.03 -0.11 -0.10 0.03 -0.13 -0.13 0.05 -0.17 -0.16 0.04 -0.16 -0.15 0.03 -0.12 -0.13 0.12 -0.18 -0.20 0.02 -0.30 -0.26 0.04 -0.25 -0.19 0.05 -0.10 -0.32 -0.05 -0.20 -0.14 0.04 -0.20 -0.19 0.05 -0.23 -0.22 0.05 -0.28 -0.05 0.03 0.07 0.07 -0.02 -0.22 0.05 0.14 -0.19 0.04 0.20 -0.00 0.00 0.02 0.13 -0.00 -0.10 0.13 -0.05 -0.09 0.16 -0.01 -0.09 0.13 -0.01 -0.11 0.15 -0.05 -0.10 0.13 -0.05 -0.11 0.19 -0.03 -0.09 0.14 -0.02 -0.07 0.12 -0.04 -0.10 0.20 -0.03 -0.07 0.09 -0.02 -0.06 -0.16 -0.01 0.08 -0.16 0.07 0.06 -0.10 0.14 0.05 -0.13 -0.09 0.07 -0.06 -0.03 0.01 0.08 0.00 -0.02 0.08 0.12 -0.04 -0.01 0.19 -0.01 -0.09 -0.14 0.01 0.17 -0.07 -0.03 0.16 0.15 -0.07 0.03 -0.14 -0.04 0.07 -0.04 -0.02 -0.04 0.05 0.02 -0.07 -0.18 0.01 -0.02 0.17 0.02 0.08 -0.20 -0.09 0.18 -0.00 -0.05 -0.00 0.01 -0.01 -0.01 -0.01 -0.00 0.00 0.04 -0.02 -0.06 -0.02 0.02 0.03 -0.05 -0.00 0.01 0.01 -0.00 0.03 0.03 0.00 0.01 -0.01 -0.00 -0.01 0.03 -0.01 0.02 0.01 -0.01 0.01 0.02 -0.00 0.02 0.03 -0.01 0.03 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.04 0.03 -0.02 0.12 0.29 -0.07 -0.14 -0.01 0.12 0.19 -0.15 -0.14 0.03 0.00 0.01 -0.30 -0.21 -0.16 0.13 0.41 -0.11 0.29 -0.20 0.34 -0.05 -0.03 0.02 0.12 0.00 -0.09 -0.22 -0.18 -0.07 -0.11 0.07 0.23 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -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 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.01 -0.00 0.01 0.00 0.02 0.03 -0.01 -0.03 -0.30 0.09 0.33 0.12 -0.19 -0.22 0.30 0.06 -0.04 -0.05 0.01 -0.08 -0.07 0.03 -0.06 -0.06 0.02 -0.01 -0.10 -0.04 0.03 0.04 0.01 0.38 0.17 -0.20 -0.27 -0.16 -0.18 0.02 0.13 0.45 -0.00 -0.00 -0.00 0.02 -0.01 0.05 0.03 0.32 -0.02 -0.10 0.02 -0.15 0.01 0.07 0.06 0.06 0.06 0.03 -0.00 0.03 0.05 0.03 0.10 0.12 0.06 0.02 0.02 0.12 0.08 0.07 -0.04 -0.02 -0.07 0.00 0.03 0.12 0.11 0.01 0.06 -0.11 -0.07 -0.17 -0.03 0.05 -0.07 0.15 -0.14 -0.04 -0.11 -0.06 0.14 -0.12 0.06 0.05 0.08 -0.01 -0.11 -0.08 -0.15 0.06 -0.03 -0.11 -0.08 0.06 0.01 0.00 -0.02 0.09 0.06 -0.11 -0.26 0.08 -0.01 -0.17 -0.20 0.18 0.04 0.00 -0.01 -0.01 0.05 -0.11 -0.13 -0.04 0.06 -0.20 -0.01 0.10 0.04 -0.00 0.07 -0.31 0.02 -0.04 0.06 0.15 -0.26 -0.16 -0.06 -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 0.00 0.00 -0.01 -0.01 0.00 -0.01 0.00 -0.02 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 -0.00 -0.08 0.07 0.11 0.04 0.17 0.01 0.27 -0.05 0.04 -0.08 0.01 0.04 -0.09 -0.04 0.01 -0.04 -0.12 0.04 -0.17 0.00 -0.02 -0.11 0.01 0.04 -0.18 0.09 0.00 0.09 -0.11 -0.02 -0.08 -0.04 -0.06 -0.22 0.17 -0.01 0.24 0.07 0.08 0.09 -0.03 0.02 -0.11 -0.15 -0.08 -0.04 -0.02 -0.05 0.11 0.09 0.06 0.04 -0.09 -0.16 -0.02 0.03 -0.19 0.09 -0.06 -0.09 -0.06 -0.09 -0.03 -0.00 -0.13 -0.21 -0.04 0.14 -0.23 0.19 -0.08 -0.05 -0.20 -0.03 0.10 -0.05 0.07 0.03 0.09 0.00 0.01 -0.05 0.01 0.10 -0.04 -0.01 0.00 -0.07 -0.13 0.12 -0.14 0.12 0.01 0.22 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.01 -0.00 0.01 0.01 -0.01 -0.01 0.01 -0.00 0.00 0.00 -0.00 0.01 0.02 0.00 -0.00 0.01 -0.00 0.01 -0.01 -0.00 0.00 -0.05 -0.01 0.03 0.03 0.01 0.03 -0.01 -0.01 -0.04 -0.00 0.00 -0.00 -0.01 0.01 0.07 -0.06 -0.04 0.01 -0.14 0.01 -0.14 0.08 -0.03 -0.02 0.07 -0.04 0.03 0.12 0.01 0.01 0.13 -0.06 -0.00 0.05 -0.03 -0.02 0.12 -0.02 0.08 0.06 -0.02 -0.11 0.16 0.02 0.09 0.04 0.00 0.02 0.01 -0.02 -0.20 -0.03 -0.04 -0.06 -0.01 0.14 0.10 -0.02 -0.09 0.07 -0.08 -0.10 -0.03 -0.07 0.12 0.00 0.01 -0.17 0.03 -0.08 -0.17 -0.07 -0.02 -0.18 0.01 -0.03 -0.14 0.05 0.02 -0.23 0.08 -0.14 -0.15 -0.14 0.05 -0.18 0.04 0.06 0.18 0.01 0.01 0.25 -0.07 0.05 0.23 0.04 -0.00 0.13 0.06 0.08 0.31 0.07 0.14 0.13 0.02 -0.03 0.26 -0.15 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 0.00 0.00 -0.01 0.00 -0.01 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 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 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 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -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 0.08 -0.10 -0.08 -0.12 0.12 0.01 -0.36 0.21 -0.22 -0.08 0.25 0.31 -0.20 0.21 0.05 0.06 -0.05 -0.15 0.10 -0.06 -0.24 -0.01 -0.01 -0.12 0.03 -0.02 -0.18 0.06 -0.06 0.15 -0.06 0.15 0.19 0.15 -0.22 0.32 0.05 -0.03 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 0.01 -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 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.00 0.01 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -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 0.07 -0.04 0.13 0.05 0.04 0.16 -0.01 0.07 0.10 0.06 0.08 0.24 0.02 0.07 0.15 -0.12 0.09 -0.08 -0.06 0.03 -0.41 -0.38 0.29 0.03 -0.18 0.13 -0.16 0.07 -0.13 -0.09 0.22 -0.33 -0.15 -0.06 -0.00 -0.27 0.06 -0.13 -0.13 -0.00 0.00 -0.01 0.01 0.00 0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.12 -0.04 -0.17 0.10 0.04 0.19 0.10 0.03 0.18 -0.28 -0.07 -0.42 -0.12 -0.03 -0.16 0.22 0.07 0.42 -0.02 0.00 0.00 0.20 0.07 0.34 -0.22 -0.06 -0.33 -0.02 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.02 0.01 0.01 0.01 0.01 -0.01 0.00 -0.01 0.00 0.01 0.01 -0.01 0.01 0.01 -0.01 0.02 0.00 0.01 -0.00 0.01 -0.01 -0.01 0.01 -0.03 -0.00 0.02 -0.02 0.03 0.00 0.02 0.00 -0.01 0.00 0.01 -0.01 0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.02 -0.01 -0.03 0.01 -0.02 -0.00 0.02 -0.01 0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.00 -0.02 -0.01 0.02 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.01 0.02 -0.01 -0.02 -0.01 -0.00 -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.12 -0.00 -0.16 0.03 -0.08 0.05 -0.01 0.02 -0.01 -0.01 -0.01 -0.02 0.00 -0.00 0.02 0.01 0.00 0.01 -0.03 -0.01 -0.03 -0.02 -0.00 -0.01 0.03 0.00 0.06 -0.00 0.00 0.01 0.02 0.01 0.03 -0.03 -0.00 -0.02 0.00 0.01 0.02 -0.00 -0.01 -0.00 -0.10 -0.00 -0.14 -0.11 0.02 -0.13 -0.02 0.04 -0.01 -0.00 0.01 -0.03 0.10 -0.02 0.17 -0.04 0.02 -0.05 -0.07 0.06 -0.09 0.11 0.01 0.18 0.29 -0.05 0.42 -0.05 0.01 -0.08 -0.14 0.08 -0.21 -0.06 0.02 -0.10 -0.03 -0.01 -0.06 0.13 -0.04 0.14 0.15 -0.01 0.15 0.32 -0.06 0.38 -0.15 0.03 -0.20 -0.06 -0.01 -0.07 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.01 -0.01 0.00 -0.01 -0.01 -0.00 0.00 0.01 -0.00 0.00 0.01 0.01 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 -0.02 0.00 0.00 0.00 -0.00 0.19 -0.06 0.11 0.49 0.01 -0.02 -0.12 0.01 0.00 0.01 0.01 -0.01 0.01 -0.02 -0.01 -0.01 -0.01 0.01 0.01 0.01 0.01 -0.01 0.00 -0.02 0.00 -0.03 0.00 -0.01 0.01 -0.04 -0.02 -0.01 0.02 -0.02 -0.00 0.01 -0.02 0.02 0.00 0.01 0.00 -0.10 0.11 0.01 0.06 0.08 -0.11 0.07 -0.17 -0.10 -0.14 -0.13 0.10 0.18 0.05 -0.05 0.08 0.01 -0.08 0.02 -0.18 -0.09 0.11 -0.22 -0.03 0.23 0.01 0.03 -0.00 0.10 -0.00 -0.07 -0.21 -0.07 -0.14 -0.16 0.04 -0.08 0.04 0.07 -0.08 0.10 0.14 -0.11 -0.18 0.14 -0.04 0.06 0.19 -0.12 -0.22 -0.06 0.04 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 0.01 -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 0.00 0.02 0.04 0.01 0.00 0.01 -0.02 0.00 -0.00 -0.02 -0.00 -0.01 0.02 0.01 0.04 0.02 0.00 0.02 -0.03 -0.01 -0.02 -0.00 -0.00 -0.03 0.12 -0.02 0.15 -0.12 0.02 -0.15 -0.10 0.03 -0.14 0.13 -0.01 0.15 0.10 -0.03 0.14 -0.06 0.01 -0.08 -0.02 0.01 -0.03 0.08 -0.01 0.13 0.33 -0.08 0.45 -0.05 0.00 -0.07 0.04 -0.00 0.04 0.01 -0.00 0.02 0.08 -0.02 0.10 -0.11 0.01 -0.14 -0.09 0.02 -0.13 -0.37 0.04 -0.47 -0.07 0.01 -0.07 0.07 -0.02 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 0.01 0.01 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.04 -0.01 0.05 -0.02 0.01 -0.02 -0.04 0.02 -0.05 -0.00 -0.01 -0.01 -0.01 -0.01 -0.01 -0.07 -0.02 -0.12 -0.11 -0.03 -0.16 -0.07 -0.02 -0.12 -0.09 -0.03 -0.16 0.10 0.03 0.15 -0.20 -0.06 -0.35 -0.22 -0.06 -0.34 0.19 0.06 0.30 0.15 0.04 0.24 0.03 -0.01 0.04 0.01 -0.00 0.02 -0.08 0.02 -0.12 -0.07 0.01 -0.09 0.04 -0.01 0.06 -0.06 0.01 -0.08 0.04 -0.01 0.06 -0.00 -0.00 0.00 0.12 -0.03 0.16 -0.10 0.02 -0.14 0.15 -0.04 0.21 0.05 -0.01 0.05 -0.05 -0.01 -0.07 0.02 -0.01 0.03 -0.01 -0.00 -0.02 0.06 -0.02 0.08 0.15 -0.02 0.19 -0.09 -0.00 -0.12 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.02 -0.01 0.01 -0.00 -0.00 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 0.01 0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.01 0.00 0.01 -0.00 0.01 0.01 0.01 0.00 0.01 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 0.01 0.03 0.01 0.00 0.01 -0.02 -0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.01 -0.00 0.00 0.00 0.01 -0.00 -0.01 -0.11 0.01 -0.14 0.11 -0.03 0.14 -0.08 0.02 -0.12 0.09 -0.01 0.11 0.03 -0.01 0.04 -0.09 0.02 -0.11 0.09 -0.02 0.14 -0.06 0.01 -0.09 0.01 0.00 0.02 -0.19 0.04 -0.26 0.29 -0.07 0.42 -0.10 0.02 -0.13 0.09 -0.02 0.11 -0.03 -0.00 -0.04 0.07 -0.00 0.09 -0.01 -0.00 -0.02 -0.32 0.05 -0.40 0.20 -0.03 0.26 -0.03 -0.03 0.01 -0.01 0.00 -0.02 0.02 0.02 -0.01 0.02 0.02 -0.01 -0.02 0.01 -0.07 -0.01 0.01 0.01 0.02 0.02 -0.00 0.02 0.02 -0.00 -0.03 0.04 0.05 0.01 -0.01 0.00 0.02 0.01 -0.00 0.02 0.02 -0.00 0.05 -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 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.01 0.01 -0.00 0.01 -0.01 0.00 -0.01 0.01 -0.00 0.01 0.00 -0.00 0.01 -0.01 0.00 -0.01 0.01 -0.00 0.01 -0.01 0.00 -0.01 0.01 -0.00 0.01 -0.02 0.01 -0.03 0.03 -0.01 0.05 -0.01 0.00 -0.01 0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.03 0.00 -0.04 0.02 -0.00 0.02 0.20 0.19 -0.04 0.03 -0.02 0.11 -0.12 -0.13 0.04 -0.14 -0.13 0.04 0.14 -0.06 0.44 0.04 -0.07 -0.09 -0.13 -0.13 0.01 -0.12 -0.14 0.02 0.18 -0.27 -0.34 -0.09 0.08 -0.03 -0.16 -0.11 0.03 -0.13 -0.12 0.02 -0.33 0.31 -0.13 -0.01 -0.01 0.00 0.24 -0.05 -0.19 0.27 -0.06 -0.23 -0.17 0.03 0.14 0.00 0.10 -0.04 0.01 -0.10 0.03 0.04 0.10 -0.03 0.16 -0.01 -0.06 0.03 -0.11 0.01 0.13 -0.04 -0.09 0.18 -0.04 -0.11 -0.06 0.06 0.08 -0.09 -0.02 0.06 0.17 -0.04 -0.11 -0.17 0.03 0.08 -0.01 0.13 0.03 -0.06 -0.12 0.04 -0.11 0.01 0.06 -0.10 0.03 0.07 -0.16 -0.05 0.13 -0.02 0.02 -0.01 0.05 0.15 0.02 0.03 0.11 -0.02 -0.15 -0.07 0.14 0.08 -0.11 -0.14 0.09 0.15 0.05 -0.02 -0.15 0.01 -0.02 -0.01 0.01 -0.12 0.11 0.12 -0.01 -0.12 -0.01 -0.12 0.13 0.12 0.00 -0.16 0.01 0.14 0.07 -0.11 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 -0.00 -0.00 0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 -0.00 0.01 -0.00 0.01 -0.01 0.01 -0.01 0.22 -0.02 0.30 -0.02 -0.02 -0.05 -0.03 0.02 -0.06 0.03 -0.00 0.07 -0.01 0.01 0.01 0.04 0.03 0.06 -0.01 0.02 -0.00 -0.06 -0.01 -0.06 0.12 0.02 0.18 0.14 0.03 0.17 -0.09 -0.02 -0.11 -0.02 -0.01 -0.07 -0.02 0.00 -0.03 -0.01 0.01 -0.03 -0.05 0.02 -0.09 -0.07 0.01 -0.08 0.06 -0.02 0.06 -0.08 0.00 -0.09 0.05 -0.02 0.08 -0.06 0.01 -0.06 0.19 -0.04 0.23 -0.07 0.01 -0.06 0.26 -0.06 0.35 0.07 -0.01 0.08 -0.08 0.01 -0.10 0.05 -0.01 0.07 -0.05 0.00 -0.07 0.19 -0.03 0.24 0.28 -0.04 0.36 -0.05 0.01 -0.07 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.01 0.00 0.00 -0.00 0.11 -0.02 -0.09 0.13 -0.03 -0.11 0.15 -0.04 -0.17 0.03 -0.16 0.04 0.03 0.15 -0.06 -0.01 -0.16 0.03 -0.16 -0.01 0.06 0.01 0.16 -0.04 -0.13 0.07 0.08 -0.20 0.04 0.12 0.15 -0.10 -0.13 0.17 0.01 -0.13 -0.20 0.04 0.12 0.19 -0.04 -0.10 0.01 0.04 -0.00 -0.00 -0.05 0.01 0.00 0.14 0.03 -0.05 -0.14 0.03 -0.02 -0.12 -0.01 -0.07 -0.15 0.03 -0.03 0.09 0.04 -0.11 0.17 0.10 -0.03 -0.08 -0.03 -0.03 -0.21 -0.03 0.13 0.17 -0.07 -0.06 -0.06 0.04 -0.00 0.18 0.03 0.04 0.12 -0.02 -0.17 -0.12 0.13 0.02 0.07 -0.03 0.05 -0.21 -0.09 0.05 0.21 -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 0.07 -0.00 0.00 -0.02 -0.00 0.01 0.14 -0.03 -0.08 -0.10 0.06 0.05 -0.13 -0.02 -0.04 0.10 0.04 -0.13 -0.12 -0.00 0.08 0.09 -0.03 0.01 -0.15 -0.08 -0.01 0.08 -0.03 0.04 0.13 -0.05 -0.01 0.15 -0.02 -0.06 -0.07 -0.08 0.01 -0.07 0.02 -0.04 0.13 0.04 0.09 0.10 -0.03 0.02 0.14 0.01 0.03 0.13 -0.01 0.20 -0.06 -0.17 -0.04 -0.19 0.02 -0.07 -0.12 0.02 -0.20 0.06 0.16 0.19 -0.02 -0.19 -0.18 -0.04 0.13 0.11 -0.03 -0.13 0.00 -0.14 -0.03 -0.02 -0.18 0.01 -0.21 0.03 0.16 0.20 -0.03 -0.15 -0.21 0.07 0.16 -0.15 0.01 0.07 0.16 -0.10 -0.13 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 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 0.01 -0.05 0.02 -0.19 -0.15 0.16 0.18 -0.22 -0.06 -0.21 0.25 0.06 -0.11 -0.21 0.17 0.22 0.17 -0.19 0.13 -0.25 0.01 0.01 0.12 -0.02 -0.06 0.31 0.01 0.12 0.27 -0.10 0.03 -0.29 0.15 -0.02 -0.13 0.01 0.02 -0.04 -0.02 -0.04 -0.03 0.01 -0.01 -0.05 0.01 -0.01 -0.05 -0.00 -0.07 0.03 0.06 0.03 0.07 -0.02 0.04 0.03 -0.01 0.06 -0.03 -0.05 -0.06 -0.01 0.08 0.08 0.02 -0.06 -0.02 -0.01 0.05 -0.01 0.04 0.02 -0.01 0.08 0.01 0.07 -0.00 -0.05 -0.07 0.00 0.04 0.07 -0.04 -0.05 0.05 -0.01 -0.00 -0.07 0.05 0.06 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 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 0.02 -0.00 -0.00 0.02 -0.01 -0.02 0.01 -0.00 0.02 -0.02 0.11 0.01 -0.04 -0.10 0.04 -0.01 0.14 -0.03 0.12 0.02 0.03 -0.03 -0.13 0.03 0.07 -0.04 -0.04 0.18 -0.03 -0.10 -0.15 0.08 0.11 -0.17 -0.01 0.12 0.21 -0.03 -0.06 -0.15 0.03 0.08 0.05 -0.12 -0.05 0.09 0.10 -0.06 0.00 0.12 0.01 -0.04 -0.11 0.02 0.22 -0.00 -0.16 -0.03 -0.10 -0.01 -0.04 -0.05 0.03 -0.18 0.11 0.14 0.26 0.07 -0.14 -0.15 0.05 0.14 0.15 0.03 -0.06 -0.02 0.06 0.02 0.02 0.10 0.00 0.19 -0.08 -0.17 -0.19 -0.03 0.16 0.19 -0.16 -0.17 0.10 -0.08 -0.10 -0.15 0.01 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 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 0.00 0.03 0.05 0.02 0.07 0.05 0.03 0.08 -0.07 -0.03 -0.11 0.28 0.06 0.41 -0.08 -0.02 -0.11 0.22 0.07 0.40 0.02 0.01 0.05 0.10 0.02 0.16 0.09 0.02 0.15 0.31 0.11 0.53 -0.06 -0.02 -0.11 -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 -0.01 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.00 0.02 -0.00 0.01 -0.01 -0.01 0.01 0.03 -0.01 0.03 0.01 -0.01 0.00 -0.01 -0.01 -0.01 -0.01 0.00 0.02 0.01 0.00 -0.02 0.00 0.01 0.04 0.02 -0.00 0.04 0.02 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.04 -0.23 0.01 0.04 0.20 -0.01 0.04 0.27 -0.03 -0.01 -0.07 0.00 -0.01 -0.07 0.00 0.01 -0.00 0.00 0.03 -0.09 0.02 -0.01 0.00 0.01 -0.02 -0.08 0.05 -0.01 0.01 -0.01 0.09 0.02 0.02 -0.01 0.04 0.08 0.02 0.03 0.02 -0.00 -0.03 -0.00 -0.18 -0.13 0.12 0.11 -0.19 -0.11 0.21 0.07 -0.15 -0.17 0.15 0.15 -0.02 -0.07 -0.01 -0.14 -0.09 0.11 -0.09 0.16 0.07 0.11 0.00 -0.05 0.06 0.25 -0.03 -0.07 -0.18 0.04 -0.15 0.15 0.06 0.13 0.11 -0.09 0.10 -0.14 -0.10 -0.01 -0.07 0.00 -0.09 0.04 0.08 0.04 0.26 0.02 0.16 0.09 -0.10 0.01 -0.19 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.24 -0.04 0.29 -0.06 0.01 -0.08 0.03 -0.01 0.07 -0.01 -0.01 -0.02 -0.01 0.00 -0.03 0.00 -0.01 0.01 0.02 0.01 0.05 0.01 0.01 0.00 0.03 0.01 0.05 -0.02 -0.00 -0.02 0.08 0.02 0.12 0.09 0.02 0.11 0.05 0.01 0.10 0.01 0.00 0.01 -0.03 0.01 -0.04 -0.03 0.01 -0.03 -0.10 0.02 -0.12 -0.10 0.01 -0.12 -0.07 0.02 -0.08 0.04 -0.00 0.04 -0.06 0.01 -0.10 0.08 -0.02 0.11 0.12 -0.04 0.18 0.31 -0.07 0.40 -0.01 -0.00 -0.03 -0.08 0.01 -0.09 0.03 -0.00 0.04 -0.06 0.01 -0.08 0.09 -0.01 0.11 0.14 -0.02 0.17 -0.02 -0.00 -0.02 0.32 -0.04 0.40 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -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 -0.02 0.01 -0.03 0.01 -0.00 0.00 -0.02 0.01 -0.02 -0.04 -0.01 -0.07 -0.04 -0.01 -0.07 0.01 -0.00 0.01 0.04 0.01 0.07 0.01 0.01 0.01 0.03 0.01 0.06 -0.07 -0.02 -0.10 0.28 0.08 0.45 0.28 0.08 0.44 0.26 0.08 0.43 0.08 0.02 0.12 0.02 -0.00 0.01 0.01 0.00 0.02 -0.02 0.00 -0.01 -0.01 -0.00 -0.02 0.00 0.00 0.01 0.02 0.00 0.01 0.01 -0.01 0.00 -0.00 -0.00 0.01 -0.08 0.01 -0.10 -0.09 0.03 -0.13 -0.06 0.00 -0.09 0.00 -0.00 0.01 0.01 -0.00 0.02 0.01 -0.00 0.00 -0.00 -0.00 0.01 -0.08 0.00 -0.11 -0.07 0.01 -0.08 -0.11 0.01 -0.13 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.01 0.01 -0.01 -0.01 -0.04 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.01 0.02 0.02 0.01 0.01 -0.01 -0.03 -0.01 -0.01 -0.01 0.00 0.01 0.02 -0.01 -0.01 0.01 -0.01 -0.03 -0.02 -0.00 -0.00 0.01 -0.00 -0.01 -0.07 -0.00 -0.07 0.05 0.01 0.09 -0.13 0.02 -0.13 0.10 -0.01 0.16 -0.01 0.02 -0.02 0.08 0.00 0.08 -0.02 -0.02 -0.04 0.04 -0.02 0.09 -0.24 0.04 -0.33 -0.20 0.08 -0.27 -0.21 0.03 -0.32 0.04 0.01 0.02 -0.06 -0.01 -0.09 0.02 -0.02 0.01 -0.07 0.02 -0.07 0.25 -0.04 0.30 0.25 -0.02 0.28 0.19 -0.06 0.27 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.08 0.02 0.07 -0.10 0.02 0.08 0.16 -0.03 -0.11 -0.05 0.07 -0.02 -0.04 -0.06 0.04 -0.06 0.12 0.01 0.07 0.02 0.01 -0.07 -0.09 0.07 0.02 -0.04 -0.06 0.06 -0.02 -0.05 -0.13 0.09 0.18 -0.17 -0.00 0.13 0.09 -0.01 0.01 -0.02 0.01 0.04 0.07 0.08 -0.09 0.07 -0.10 -0.04 0.12 0.03 -0.16 0.17 -0.09 -0.06 -0.05 -0.10 0.01 -0.12 -0.14 0.10 -0.06 0.18 0.06 0.14 0.02 -0.06 -0.05 0.12 -0.06 -0.05 -0.28 -0.12 -0.13 0.19 -0.01 -0.11 -0.15 0.08 -0.10 0.19 0.05 -0.00 0.11 0.02 0.08 -0.07 -0.11 0.06 -0.12 0.13 -0.04 -0.15 0.19 0.21 0.26 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 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.06 0.00 -0.09 -0.01 -0.00 -0.02 -0.01 -0.00 -0.02 0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.02 -0.01 -0.03 0.07 0.02 0.11 0.06 0.02 0.11 0.08 0.03 0.12 0.03 0.01 0.04 -0.02 0.00 -0.02 -0.02 0.01 -0.02 0.07 -0.02 0.11 0.07 -0.01 0.10 -0.01 0.00 -0.01 -0.04 0.02 -0.07 -0.00 -0.00 -0.01 -0.03 0.00 -0.03 0.19 -0.05 0.27 0.28 -0.05 0.38 0.18 -0.05 0.24 -0.00 0.01 -0.01 -0.05 0.00 -0.06 -0.01 -0.00 -0.01 -0.03 0.01 -0.03 0.21 -0.03 0.26 0.20 -0.02 0.24 0.31 -0.05 0.39 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 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 0.01 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 -0.01 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.15 -0.14 0.03 0.08 -0.00 0.20 0.22 0.09 0.28 0.22 0.09 0.28 0.02 0.03 -0.03 0.11 -0.10 -0.16 0.26 -0.06 -0.25 0.26 -0.07 -0.26 0.01 0.04 0.01 -0.13 0.17 -0.05 -0.10 0.32 -0.09 -0.10 0.35 -0.10 0.04 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.00 -0.00 0.00 0.01 0.00 0.01 -0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.06 0.01 -0.08 0.06 -0.01 0.08 -0.03 0.01 -0.05 0.04 -0.01 0.05 -0.05 0.01 -0.06 -0.02 0.00 -0.02 -0.05 0.01 -0.07 0.03 -0.01 0.05 0.11 -0.02 0.15 0.37 -0.08 0.50 0.14 -0.03 0.19 0.05 -0.01 0.06 0.01 0.00 0.02 0.05 -0.01 0.06 -0.04 0.00 -0.05 -0.10 0.01 -0.14 -0.14 0.02 -0.17 -0.38 0.06 -0.47 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -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 -0.06 0.02 0.04 0.04 0.03 0.06 -0.03 -0.03 -0.04 0.05 0.01 0.06 -0.28 0.00 -0.36 -0.03 -0.02 -0.07 0.16 0.02 0.35 -0.01 0.00 -0.00 -0.26 -0.08 -0.46 0.30 0.09 0.47 0.02 0.01 0.04 0.02 -0.00 -0.02 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.01 0.00 0.01 -0.01 -0.01 -0.02 -0.01 0.01 -0.00 0.01 0.00 0.01 -0.01 -0.01 0.01 0.02 -0.01 -0.01 -0.01 0.01 -0.00 0.01 0.00 -0.01 -0.01 0.00 -0.01 0.02 0.01 0.01 0.00 -0.01 0.01 0.00 -0.01 0.01 -0.03 -0.01 -0.00 -0.01 0.00 -0.02 0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -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 -0.01 0.00 0.00 -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 0.17 -0.03 0.22 -0.04 0.01 -0.05 -0.03 -0.00 -0.06 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 -0.02 -0.01 -0.02 -0.00 -0.00 -0.01 0.00 0.01 0.02 -0.00 0.00 0.01 0.02 0.00 0.03 0.01 0.00 0.00 -0.14 0.02 -0.17 -0.13 0.03 -0.18 0.07 -0.02 0.10 0.07 -0.01 0.10 0.03 -0.01 0.04 0.02 -0.00 0.02 0.05 -0.01 0.07 -0.04 0.01 -0.05 0.06 -0.02 0.09 -0.32 0.07 -0.44 -0.15 0.04 -0.22 0.06 -0.00 0.07 0.02 -0.01 0.02 0.02 -0.00 0.04 -0.04 0.01 -0.05 0.07 -0.00 0.10 -0.16 0.03 -0.21 -0.33 0.04 -0.42 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.02 -0.00 -0.02 0.36 -0.08 -0.24 -0.02 -0.06 0.07 -0.05 0.08 -0.02 -0.05 0.12 0.06 -0.11 -0.13 -0.16 -0.11 -0.09 0.02 0.10 0.13 0.10 0.12 -0.02 -0.08 -0.34 0.02 -0.16 -0.00 0.06 0.41 0.14 -0.02 -0.05 -0.03 0.01 0.02 -0.04 0.03 0.02 -0.03 -0.02 0.04 -0.02 -0.01 -0.04 0.02 0.01 -0.00 -0.10 0.03 0.07 0.10 0.08 -0.05 0.02 -0.08 -0.04 -0.06 0.01 0.07 -0.16 -0.16 0.06 0.12 0.06 -0.07 0.03 -0.08 -0.02 0.05 0.07 -0.03 0.05 -0.11 -0.06 -0.10 0.01 0.08 -0.07 0.01 0.05 -0.08 0.21 0.08 0.05 0.07 -0.03 0.08 -0.09 -0.09 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.01 0.03 0.04 -0.02 -0.03 0.01 -0.00 0.02 -0.00 -0.00 0.01 0.03 -0.03 -0.01 -0.00 0.03 -0.00 0.01 -0.02 -0.01 0.00 0.00 0.00 0.01 0.05 0.00 -0.01 -0.03 -0.00 0.09 0.46 -0.02 -0.00 -0.06 0.03 0.01 -0.06 0.03 0.03 -0.04 -0.03 -0.11 -0.02 -0.01 -0.04 -0.02 0.03 0.03 -0.05 -0.10 -0.00 0.03 -0.01 0.15 0.00 -0.03 -0.16 0.03 0.03 0.04 0.18 0.01 -0.01 0.03 -0.04 0.04 0.00 -0.04 -0.05 0.02 0.03 0.07 0.09 -0.02 -0.02 0.11 0.03 -0.14 0.02 0.11 0.04 0.06 -0.02 0.03 -0.21 -0.06 -0.01 -0.09 -0.01 -0.20 -0.19 0.11 -0.02 0.11 0.03 -0.04 -0.26 -0.01 -0.10 -0.18 0.06 -0.01 0.06 0.02 0.13 -0.03 -0.11 -0.03 -0.09 0.02 0.11 -0.24 -0.11 -0.05 -0.25 0.02 0.06 0.09 -0.04 -0.01 0.01 0.03 -0.03 -0.01 -0.01 0.06 0.03 0.05 0.02 0.00 -0.06 -0.04 -0.02 -0.13 0.04 0.01 -0.02 -0.04 -0.03 -0.02 -0.06 -0.02 0.04 0.08 -0.07 -0.13 -0.00 0.00 0.02 0.06 -0.09 -0.00 -0.04 0.08 -0.05 0.01 -0.03 -0.04 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.03 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.02 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 -0.02 -0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.01 0.00 0.01 0.01 0.02 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -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 -0.00 -0.01 -0.00 -0.01 -0.01 0.01 -0.00 0.01 0.00 -0.00 -0.02 -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.01 0.00 0.01 -0.02 -0.01 -0.00 -0.02 0.01 0.00 0.01 -0.01 -0.02 0.00 -0.10 0.11 0.06 0.05 -0.15 -0.14 -0.07 -0.15 -0.07 0.06 0.22 0.03 0.52 -0.10 0.00 0.01 0.01 0.12 0.22 0.26 -0.05 -0.19 -0.13 0.12 0.34 -0.01 -0.06 -0.05 -0.10 0.30 -0.03 0.17 -0.15 0.15 0.11 -0.14 0.17 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.01 0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 -0.02 -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 0.01 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.01 -0.00 0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 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 -0.07 -0.01 0.03 -0.06 -0.03 -0.18 0.06 -0.26 0.12 0.09 0.30 -0.12 0.10 -0.05 -0.06 -0.05 0.08 0.21 0.01 -0.19 -0.04 0.19 0.04 -0.28 0.24 0.27 0.03 0.12 -0.05 -0.15 -0.04 0.07 -0.05 -0.22 0.04 -0.31 0.44 -0.11 0.00 -0.00 -0.00 -0.01 -0.07 -0.00 0.01 0.02 -0.00 0.01 -0.02 0.01 0.04 0.04 0.06 0.03 -0.02 0.06 0.00 0.01 0.00 -0.27 0.03 -0.32 0.01 -0.01 0.04 -0.17 -0.08 -0.31 -0.06 -0.01 -0.08 -0.03 0.01 -0.04 -0.17 -0.04 -0.19 0.28 0.12 0.47 0.01 -0.01 -0.05 -0.02 -0.04 0.02 0.00 -0.03 -0.00 -0.00 0.01 -0.00 -0.00 -0.02 -0.01 0.01 0.01 -0.00 0.03 0.04 -0.01 0.00 -0.01 -0.01 -0.03 0.01 0.02 0.01 0.03 -0.01 0.00 0.06 0.00 0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.01 0.04 0.01 -0.01 0.02 0.01 0.03 0.01 -0.02 -0.01 0.05 0.01 0.00 0.01 -0.01 0.01 0.05 0.00 -0.00 -0.00 0.00 -0.02 0.03 0.01 0.11 -0.03 0.15 -0.05 -0.05 -0.17 0.05 -0.06 -0.02 0.02 -0.02 0.03 0.07 -0.05 -0.18 -0.15 0.10 0.11 -0.05 0.04 -0.07 -0.00 -0.01 -0.04 -0.11 0.18 0.00 0.10 -0.13 0.11 -0.00 0.01 0.09 -0.00 0.00 0.00 0.03 0.10 -0.01 0.00 -0.03 -0.00 0.01 0.01 -0.01 -0.01 0.05 -0.04 -0.02 -0.06 -0.01 -0.02 0.03 -0.01 0.09 0.09 0.13 -0.02 -0.03 0.01 0.03 -0.06 0.18 -0.00 0.01 0.05 -0.01 0.04 0.10 -0.02 -0.01 0.06 -0.15 -0.05 -0.19 0.07 -0.01 -0.02 0.01 0.03 -0.00 -0.01 0.06 0.02 0.01 0.02 -0.00 -0.01 -0.02 0.00 -0.03 -0.02 0.02 -0.03 -0.05 0.02 0.00 -0.00 -0.00 0.03 -0.02 -0.03 -0.05 -0.06 0.02 -0.01 -0.08 -0.00 0.01 -0.01 -0.00 0.02 0.03 -0.02 0.01 -0.06 -0.01 -0.01 -0.02 0.01 -0.04 0.01 0.03 -0.01 -0.02 -0.01 0.04 0.02 0.01 -0.04 -0.08 0.00 -0.00 -0.00 -0.00 -0.04 0.05 0.02 0.20 -0.06 0.26 -0.09 -0.09 -0.31 0.10 -0.11 -0.02 0.04 -0.03 0.05 0.12 -0.09 -0.30 -0.23 0.18 0.17 -0.09 0.07 -0.10 0.00 -0.02 -0.07 -0.18 0.30 0.01 0.17 -0.24 0.19 -0.01 0.03 0.15 -0.00 -0.00 -0.00 0.04 0.22 -0.00 -0.01 -0.06 0.00 0.00 -0.01 0.01 0.03 -0.02 0.06 0.03 0.03 0.04 0.01 -0.01 0.01 -0.21 -0.07 -0.31 0.02 0.02 0.02 -0.15 -0.02 -0.31 -0.04 -0.02 -0.09 -0.04 -0.03 -0.11 -0.09 -0.03 -0.18 0.29 0.09 0.45 -0.05 0.00 -0.02 0.04 0.09 -0.03 0.00 0.09 0.02 0.00 -0.01 -0.01 -0.01 0.01 0.00 -0.02 -0.04 0.01 -0.08 -0.11 0.04 -0.01 0.05 0.02 0.09 -0.03 -0.06 -0.03 -0.06 0.01 0.00 -0.21 -0.03 -0.01 0.05 0.01 0.02 0.03 -0.01 0.03 -0.13 -0.04 0.01 -0.05 -0.02 -0.08 0.01 0.07 0.02 -0.09 -0.02 0.01 0.04 -0.01 -0.07 -0.19 0.04 0.00 -0.00 0.00 0.01 -0.02 -0.01 -0.08 0.02 -0.10 0.03 0.03 0.12 -0.04 0.04 0.01 -0.01 0.01 -0.02 -0.05 0.03 0.11 0.08 -0.07 -0.06 0.03 -0.03 0.03 -0.00 0.01 0.03 0.07 -0.12 -0.00 -0.06 0.09 -0.07 -0.00 -0.01 -0.06 0.00 -0.00 0.00 0.03 -0.00 -0.02 0.02 -0.00 -0.01 0.01 -0.01 0.00 0.03 0.17 -0.03 -0.01 -0.17 0.02 -0.05 0.09 -0.02 -0.10 0.25 -0.05 -0.03 -0.07 0.07 -0.07 -0.21 0.16 -0.07 0.01 0.04 -0.03 0.10 0.21 -0.23 -0.05 -0.08 -0.08 0.01 0.04 0.18 -0.04 -0.11 -0.03 -0.03 0.03 -0.02 0.04 0.02 0.02 0.05 0.00 -0.01 -0.06 -0.02 -0.03 -0.00 0.03 -0.01 0.00 0.00 0.02 -0.04 -0.02 -0.02 -0.01 0.00 -0.06 -0.04 0.02 -0.02 0.01 0.02 0.04 -0.04 -0.02 0.03 0.04 -0.03 -0.00 -0.00 0.01 -0.04 0.02 0.03 -0.00 0.02 0.01 -0.04 0.07 0.02 0.06 0.03 -0.02 -0.04 -0.01 0.02 -0.01 0.00 0.00 0.04 -0.04 -0.02 -0.17 0.03 -0.22 0.05 0.06 0.25 -0.07 0.09 0.05 -0.02 0.04 -0.04 -0.14 0.07 0.27 0.17 -0.16 -0.12 0.11 -0.09 0.02 -0.00 0.00 0.06 0.14 -0.23 -0.00 -0.14 0.21 -0.17 0.03 -0.06 -0.11 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.00 0.00 0.01 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.02 0.01 0.00 0.01 -0.00 0.00 0.00 -0.02 0.00 -0.02 0.01 -0.00 0.01 -0.01 0.00 -0.01 0.01 -0.00 0.02 -0.02 0.01 -0.03 -0.02 0.01 -0.03 0.05 -0.01 0.07 -0.00 0.00 -0.01 0.14 -0.03 0.18 0.07 -0.01 0.10 -0.26 0.06 -0.37 -0.09 0.01 -0.10 0.04 -0.00 0.04 0.03 -0.00 0.04 0.01 -0.00 0.01 -0.20 0.03 -0.25 0.45 -0.06 0.57 -0.14 0.02 -0.19 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 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.02 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.01 0.00 0.01 -0.00 0.00 0.00 -0.02 0.00 -0.02 -0.02 0.00 -0.03 0.01 -0.00 0.02 0.01 -0.00 0.01 0.03 -0.01 0.04 0.04 -0.01 0.05 -0.08 0.02 -0.11 0.01 -0.00 0.01 -0.18 0.04 -0.25 -0.14 0.03 -0.20 0.42 -0.10 0.59 -0.05 0.01 -0.07 0.03 -0.00 0.03 0.02 -0.00 0.02 0.00 -0.00 0.00 -0.10 0.02 -0.13 0.28 -0.04 0.36 -0.11 0.02 -0.14 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.01 0.03 -0.02 0.11 -0.03 0.03 -0.02 -0.05 -0.02 -0.10 -0.44 -0.05 -0.47 -0.00 -0.00 0.00 0.03 0.05 0.12 0.07 0.01 0.02 0.37 0.10 0.54 0.01 0.01 0.03 -0.10 -0.02 -0.28 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 0.01 0.00 0.01 -0.00 -0.00 0.01 0.02 -0.00 0.01 -0.02 -0.01 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 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 0.01 -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 0.01 -0.00 -0.01 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.01 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 -0.02 0.01 0.00 -0.02 -0.02 0.02 -0.08 0.03 -0.09 0.00 0.01 0.01 -0.01 -0.02 0.04 0.06 0.02 0.08 0.24 0.11 0.66 0.02 -0.02 -0.05 -0.07 -0.01 -0.09 -0.26 -0.11 -0.50 0.15 -0.02 0.18 0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.01 -0.00 0.01 0.02 -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 -0.01 0.02 -0.02 0.02 -0.01 -0.01 -0.01 0.01 0.01 -0.02 -0.01 0.01 0.00 -0.01 0.02 0.00 0.04 -0.02 0.07 -0.03 -0.02 -0.08 0.03 -0.02 0.01 -0.01 -0.02 -0.02 0.05 0.01 -0.01 0.07 -0.00 -0.07 -0.03 0.03 0.07 0.02 0.00 0.01 0.01 -0.09 0.03 -0.02 -0.05 -0.01 -0.04 0.06 -0.03 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 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 -0.01 0.00 -0.01 0.01 -0.00 0.02 0.00 -0.00 0.01 -0.00 0.00 -0.01 -0.06 0.02 -0.08 0.05 -0.01 0.07 -0.01 0.00 -0.02 -0.00 0.00 -0.00 0.36 -0.07 0.49 -0.24 0.05 -0.34 0.09 -0.02 0.11 0.01 -0.00 0.02 -0.04 0.00 -0.05 0.06 -0.01 0.07 0.00 -0.00 0.00 -0.32 0.05 -0.40 -0.07 0.01 -0.08 0.21 -0.03 0.27 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.01 -0.01 -0.00 -0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.02 -0.00 -0.01 -0.01 0.01 0.01 0.00 0.00 0.00 0.00 -0.02 0.01 -0.00 -0.01 -0.00 -0.01 0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.02 0.01 -0.02 0.02 -0.02 0.00 0.00 0.00 -0.01 -0.02 0.01 0.01 0.00 0.02 0.07 0.04 0.17 0.01 -0.01 -0.01 -0.00 0.00 -0.02 -0.05 -0.03 -0.11 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 -0.01 0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.04 -0.01 0.06 -0.03 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 -0.01 0.00 -0.00 -0.00 0.02 -0.01 0.03 -0.01 0.00 -0.01 -0.00 0.01 -0.02 0.04 -0.05 -0.04 0.05 -0.07 0.00 -0.13 0.08 -0.20 0.16 0.10 0.34 -0.11 0.09 -0.05 0.03 0.09 0.07 -0.25 -0.04 0.09 -0.30 -0.01 0.27 0.16 -0.15 -0.28 -0.08 -0.00 -0.06 -0.10 0.41 -0.10 0.11 0.09 0.07 0.15 -0.19 0.15 -0.00 0.00 0.00 -0.03 0.01 -0.03 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.02 -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 -0.00 0.03 0.02 -0.01 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 -0.05 0.01 -0.07 0.04 -0.01 0.05 -0.01 0.00 -0.02 -0.00 0.00 -0.00 0.31 -0.06 0.41 -0.19 0.04 -0.26 0.06 -0.01 0.08 -0.01 0.00 -0.02 0.05 -0.01 0.06 -0.07 0.01 -0.09 -0.00 0.00 -0.00 0.39 -0.06 0.49 0.07 -0.01 0.08 -0.24 0.03 -0.30 0.00 0.00 0.01 -0.00 0.01 -0.01 -0.02 -0.02 -0.01 -0.04 -0.02 -0.04 0.02 -0.01 0.04 0.00 -0.01 -0.00 0.04 -0.01 -0.04 0.01 0.02 -0.01 -0.03 0.02 0.02 -0.00 0.00 0.01 0.02 -0.03 0.00 -0.02 0.04 -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 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.01 0.01 0.03 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.02 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -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 -0.03 0.01 -0.04 0.02 -0.00 0.03 -0.01 0.00 -0.01 0.00 -0.00 0.00 -0.01 0.00 -0.01 0.01 -0.00 0.01 0.00 -0.00 0.00 -0.05 0.00 -0.06 -0.01 -0.00 -0.01 0.03 -0.00 0.04 0.03 -0.02 0.06 0.04 0.05 -0.10 -0.27 -0.17 -0.26 -0.26 -0.10 -0.11 0.14 0.02 0.36 0.04 -0.06 0.04 0.21 -0.09 -0.32 -0.14 0.17 0.11 -0.12 0.10 -0.00 -0.08 0.03 0.05 0.13 0.02 -0.08 -0.11 0.42 -0.15 0.16 -0.23 -0.02 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.01 -0.03 0.01 0.02 -0.01 -0.10 0.02 0.01 0.10 -0.01 -0.00 0.19 -0.03 0.08 -0.17 0.02 -0.03 -0.18 0.04 0.03 0.13 -0.14 -0.06 0.01 0.03 0.40 0.35 -0.32 0.38 -0.50 -0.09 -0.07 0.01 0.04 0.04 -0.01 -0.02 -0.01 -0.01 0.01 -0.01 0.02 0.01 -0.02 0.01 0.02 -0.02 0.00 0.02 0.01 -0.00 -0.01 -0.02 -0.01 0.01 0.01 -0.00 -0.00 0.02 -0.00 -0.02 0.02 0.01 -0.01 -0.06 0.04 0.05 0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.01 0.02 0.01 0.01 -0.00 -0.01 0.02 -0.00 -0.02 0.01 -0.01 -0.01 0.01 -0.01 -0.00 -0.07 -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 0.01 0.01 -0.00 -0.01 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.00 -0.01 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.03 0.01 0.02 -0.08 -0.06 0.02 -0.04 0.09 0.05 -0.00 -0.02 0.02 -0.08 0.05 0.24 -0.02 0.03 -0.02 -0.30 0.00 -0.08 0.12 -0.03 -0.07 -0.15 -0.08 0.01 -0.04 0.13 0.12 0.13 -0.05 -0.07 0.05 -0.01 -0.03 -0.01 -0.04 0.01 0.00 0.04 0.01 0.00 0.07 0.01 -0.02 -0.06 0.01 -0.05 0.04 0.04 -0.09 -0.06 0.05 0.07 -0.09 -0.07 0.06 0.01 -0.04 0.02 0.32 0.03 -0.25 0.10 0.20 0.26 -0.02 -0.19 0.09 0.06 -0.07 -0.05 0.08 0.05 -0.05 -0.02 0.04 0.05 -0.03 -0.04 -0.10 -0.29 0.03 0.23 -0.08 -0.18 -0.24 0.01 0.20 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.01 -0.04 0.00 0.00 0.00 -0.00 -0.01 -0.04 -0.00 0.03 0.02 -0.01 -0.01 0.02 0.01 -0.01 0.02 -0.00 0.05 -0.03 -0.10 0.01 0.02 -0.01 -0.09 -0.00 0.01 -0.01 -0.03 0.01 -0.05 0.01 0.06 0.07 -0.02 -0.02 -0.02 -0.21 0.05 -0.01 -0.03 0.01 -0.01 -0.01 0.00 0.00 -0.01 -0.00 -0.02 0.04 0.02 0.03 0.03 -0.02 -0.02 0.05 0.03 -0.07 -0.04 0.05 0.07 -0.08 -0.07 0.04 0.03 -0.02 0.06 0.41 0.01 -0.25 0.14 0.21 0.27 -0.00 -0.18 -0.10 -0.05 0.07 0.05 -0.07 -0.05 0.04 0.04 -0.03 -0.03 0.05 0.03 0.10 0.43 -0.02 -0.24 0.10 0.20 0.28 0.03 -0.22 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.01 0.02 -0.00 -0.01 -0.05 0.01 0.03 -0.09 -0.05 0.03 -0.05 0.09 0.06 -0.02 0.02 0.03 -0.14 0.12 0.29 -0.04 -0.00 0.00 -0.38 -0.03 -0.04 0.13 -0.03 -0.08 -0.20 -0.05 0.04 -0.10 0.12 0.14 0.14 -0.06 -0.08 0.14 -0.03 -0.08 -0.03 -0.03 0.03 -0.02 0.04 0.02 -0.02 -0.01 0.02 -0.03 0.01 0.01 0.05 -0.05 -0.05 0.03 0.03 -0.01 -0.05 0.07 0.05 0.00 -0.04 -0.01 -0.02 -0.37 -0.03 0.07 -0.00 -0.06 -0.23 0.00 0.15 -0.07 -0.05 0.05 0.01 -0.04 -0.01 0.07 0.03 -0.06 0.03 0.04 -0.02 0.13 0.39 -0.05 -0.20 0.09 0.18 0.03 -0.04 -0.03 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 -0.00 0.01 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 -0.01 0.00 0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.01 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.04 -0.00 0.00 -0.00 -0.00 -0.00 -0.04 0.00 -0.04 -0.02 0.02 0.03 -0.04 -0.02 0.01 -0.04 0.01 -0.09 0.07 0.13 -0.01 -0.03 0.02 0.19 0.03 -0.03 0.00 0.05 -0.01 0.06 -0.02 -0.07 -0.09 0.01 0.01 0.02 0.36 -0.08 0.00 0.05 -0.00 -0.03 0.00 0.03 0.03 -0.01 -0.02 0.02 -0.03 -0.02 -0.04 -0.02 0.03 -0.05 0.05 0.05 0.01 -0.04 -0.01 0.02 -0.01 -0.02 -0.04 0.02 0.03 0.03 0.38 0.03 0.22 -0.28 -0.20 0.13 0.04 -0.09 -0.02 -0.00 0.02 -0.03 -0.03 0.02 0.06 0.02 -0.05 0.05 0.00 -0.04 0.12 0.38 -0.04 -0.10 0.08 0.08 -0.33 -0.18 0.24 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.03 -0.00 0.00 0.00 -0.00 0.01 -0.02 -0.00 -0.07 -0.04 0.03 0.05 -0.06 -0.03 0.00 -0.06 0.01 -0.17 0.11 0.17 -0.01 -0.05 0.02 0.27 0.03 -0.08 0.01 0.08 -0.02 0.04 -0.05 -0.05 -0.11 -0.01 0.03 0.05 0.68 -0.15 0.01 0.07 -0.01 0.01 -0.02 -0.01 -0.03 0.00 0.02 -0.05 0.00 0.04 0.04 -0.02 -0.03 0.05 -0.02 -0.04 -0.04 0.01 0.03 0.01 0.01 -0.00 0.06 0.00 -0.04 0.03 -0.10 -0.04 -0.26 0.25 0.23 0.01 0.01 -0.01 -0.00 0.01 0.01 0.02 -0.01 -0.02 -0.03 0.01 0.03 -0.04 0.02 0.03 -0.03 0.03 0.03 -0.02 0.02 0.01 0.22 0.09 -0.17 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.02 0.01 0.02 -0.07 0.01 0.05 -0.05 -0.02 0.02 -0.01 0.02 0.02 0.01 0.01 0.00 -0.10 0.09 0.16 -0.00 -0.02 -0.00 -0.13 -0.02 -0.01 0.03 0.01 -0.02 0.05 0.02 -0.07 0.05 -0.05 0.00 0.04 0.09 -0.04 0.05 -0.00 -0.03 0.04 0.02 -0.03 0.03 -0.04 -0.03 0.03 -0.02 -0.02 0.04 0.00 -0.03 -0.03 0.04 0.03 0.03 -0.01 -0.03 0.00 -0.00 -0.00 -0.06 0.00 0.04 0.06 0.40 0.01 0.30 -0.30 -0.26 0.01 0.01 -0.01 -0.00 0.00 0.00 0.04 -0.01 -0.04 -0.04 -0.02 0.03 -0.06 0.03 0.05 -0.09 -0.35 0.03 -0.00 0.01 0.00 0.43 0.17 -0.32 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 -0.00 0.01 0.00 0.01 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.01 0.00 0.01 -0.01 -0.01 0.00 0.00 0.00 -0.01 -0.01 0.01 -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 -0.01 0.01 -0.00 -0.01 -0.00 0.01 0.01 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.06 0.03 0.03 -0.00 -0.04 0.01 0.02 -0.00 -0.01 -0.01 0.00 0.01 -0.00 0.00 0.00 -0.01 -0.01 0.01 -0.01 0.02 0.01 0.01 0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.02 0.07 -0.01 0.02 -0.03 -0.02 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.01 -0.01 -0.01 0.01 -0.00 -0.01 -0.00 -0.08 -0.01 -0.01 0.01 0.01 0.03 0.02 -0.02 0.15 0.14 -0.02 -0.07 -0.07 0.04 0.13 0.20 0.07 0.24 0.08 0.03 -0.18 -0.01 -0.38 -0.06 -0.08 -0.00 0.24 0.07 -0.04 0.15 0.14 -0.15 -0.22 0.17 0.30 -0.09 -0.05 0.01 0.11 0.19 -0.13 0.08 0.25 0.02 0.23 -0.33 0.11 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.03 0.01 -0.01 -0.02 0.01 0.02 -0.04 0.01 0.02 0.12 -0.11 -0.11 0.04 -0.01 -0.02 -0.17 -0.05 0.07 0.00 0.04 -0.01 -0.46 -0.15 0.32 0.42 -0.32 -0.19 0.03 0.49 -0.11 -0.00 -0.05 0.01 -0.01 0.01 0.01 0.01 0.01 -0.01 0.02 0.01 -0.01 -0.02 0.02 0.01 -0.01 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.01 -0.03 -0.06 0.01 0.01 -0.01 -0.01 0.01 -0.00 -0.01 -0.01 -0.00 0.00 0.00 0.01 0.00 0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.00 -0.08 -0.01 -0.01 0.00 0.01 -0.01 0.00 0.01 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 0.01 0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.01 0.01 -0.01 -0.01 0.01 0.01 -0.00 -0.00 0.00 0.01 0.01 -0.01 0.00 0.01 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.02 0.00 0.02 -0.07 0.03 0.05 -0.05 0.01 0.02 -0.04 0.01 0.03 0.05 -0.03 -0.02 -0.09 0.08 0.11 0.05 0.01 -0.03 -0.17 -0.03 0.04 0.01 -0.00 -0.01 0.24 0.04 -0.17 0.28 -0.16 -0.12 0.02 0.02 -0.02 -0.05 0.01 0.03 0.06 -0.02 -0.05 0.06 -0.01 -0.04 0.12 0.08 -0.07 0.09 -0.13 -0.08 -0.07 -0.04 0.04 0.01 0.05 0.00 0.01 -0.03 -0.01 -0.05 -0.01 0.03 -0.17 -0.45 0.06 -0.05 0.12 0.06 0.02 -0.02 -0.02 0.02 0.02 -0.02 -0.01 -0.05 0.01 -0.05 0.07 0.05 -0.04 0.03 0.04 0.01 0.54 0.06 0.05 -0.01 -0.04 -0.11 -0.09 0.07 0.02 0.03 -0.00 -0.01 -0.01 0.01 0.02 0.04 0.01 0.04 0.01 0.00 -0.03 -0.00 -0.07 -0.01 -0.02 -0.00 0.04 0.01 -0.00 0.03 0.02 -0.03 -0.04 0.03 0.05 -0.01 -0.01 0.00 0.01 0.03 -0.02 0.01 0.04 -0.00 0.04 -0.06 0.02 -0.00 0.00 -0.00 -0.00 -0.02 0.00 -0.00 -0.00 -0.00 0.02 0.12 -0.01 0.02 -0.00 -0.01 -0.01 0.01 0.01 -0.01 0.01 0.00 0.06 -0.05 -0.05 0.00 0.01 -0.00 -0.06 -0.02 0.02 -0.00 -0.00 0.00 -0.12 -0.03 0.09 0.09 -0.06 -0.04 0.00 0.02 -0.00 0.00 -0.02 -0.00 0.04 -0.03 -0.03 -0.05 -0.02 0.04 -0.10 -0.00 0.07 0.08 -0.02 -0.06 0.06 0.02 -0.04 0.02 -0.02 -0.02 -0.03 -0.01 0.02 0.04 -0.02 -0.03 0.19 0.48 -0.07 0.16 -0.16 -0.14 -0.26 -0.11 0.17 0.02 -0.02 -0.02 -0.02 -0.00 0.02 -0.05 0.03 0.04 -0.04 -0.01 0.03 0.01 0.47 0.05 0.20 -0.22 -0.18 -0.21 -0.09 0.16 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.02 -0.00 -0.02 0.04 -0.01 -0.04 0.05 -0.00 -0.03 -0.00 0.01 0.00 -0.01 -0.00 0.00 0.02 -0.03 -0.01 0.04 -0.04 -0.03 0.02 0.02 -0.02 0.04 0.02 -0.02 -0.01 0.00 0.00 0.09 -0.00 -0.05 0.10 -0.04 -0.05 -0.01 0.00 0.00 -0.08 0.02 0.05 -0.09 -0.19 0.05 -0.01 0.21 0.04 0.01 0.08 0.01 -0.02 -0.08 0.01 -0.02 0.03 0.02 -0.03 -0.07 0.01 -0.02 -0.03 0.01 0.04 -0.05 -0.04 -0.05 -0.09 0.03 0.28 -0.42 -0.28 -0.19 -0.12 0.12 -0.01 0.03 0.01 0.00 0.08 0.01 -0.03 -0.02 0.02 0.06 0.03 -0.04 -0.02 0.13 0.03 -0.12 0.17 0.11 0.41 0.28 -0.30 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 0.00 0.00 0.00 0.01 0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 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 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.02 -0.00 -0.00 0.01 0.00 -0.01 -0.01 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.01 0.01 -0.00 -0.00 0.00 -0.03 0.10 0.31 0.02 -0.05 -0.08 -0.26 0.01 -0.33 -0.12 -0.07 0.02 -0.16 0.13 -0.09 0.00 -0.01 -0.09 0.14 0.06 -0.04 0.28 -0.16 -0.24 0.16 -0.15 -0.02 0.01 -0.03 -0.12 -0.25 0.24 0.01 0.25 -0.21 0.20 -0.02 0.08 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 -0.01 0.02 0.01 0.00 0.00 -0.00 -0.02 -0.01 0.01 0.00 0.00 -0.00 0.02 0.01 -0.01 0.02 -0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 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 -0.01 0.01 0.00 -0.00 -0.00 0.00 0.23 -0.22 0.09 -0.08 0.08 -0.01 0.03 -0.13 0.15 -0.12 -0.08 -0.42 0.14 -0.19 -0.16 -0.08 0.07 -0.05 -0.16 0.15 0.38 0.06 -0.21 -0.08 0.13 -0.09 0.25 -0.05 0.06 -0.03 -0.07 0.29 -0.05 -0.03 0.25 -0.09 -0.11 0.13 -0.03 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 0.09 -0.02 -0.06 -0.05 0.07 0.01 -0.05 -0.05 0.05 0.03 -0.04 -0.01 -0.27 0.32 0.16 0.04 0.02 -0.03 -0.33 -0.19 0.20 0.02 -0.00 -0.01 0.34 0.07 -0.23 0.33 -0.21 -0.16 0.02 -0.01 -0.01 -0.04 0.01 0.02 -0.02 0.06 0.02 -0.04 -0.05 0.03 -0.03 0.01 0.02 -0.03 -0.00 0.02 0.02 -0.01 -0.02 0.02 0.00 -0.01 -0.01 -0.01 0.01 0.03 0.01 -0.02 0.08 0.20 -0.03 -0.04 0.07 0.05 -0.18 -0.08 0.11 -0.01 0.01 0.01 0.01 -0.01 -0.01 0.03 0.00 -0.02 0.02 -0.02 -0.02 0.00 -0.21 -0.03 -0.12 0.14 0.12 -0.07 -0.05 0.05 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.01 0.01 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.00 0.01 0.00 -0.00 0.00 -0.01 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 -0.00 0.00 -0.03 -0.15 0.00 0.00 0.02 -0.00 -0.02 -0.20 0.00 -0.05 0.06 0.02 0.03 0.02 -0.03 0.02 -0.00 -0.01 -0.18 0.20 0.10 -0.01 0.01 0.01 0.07 0.03 -0.03 0.00 -0.03 0.00 0.15 0.04 -0.10 -0.01 0.01 0.00 0.01 0.14 -0.04 0.00 -0.06 0.02 0.00 0.06 0.01 0.03 0.12 -0.00 0.03 0.14 0.01 0.06 0.26 -0.02 -0.02 -0.00 0.01 -0.04 0.00 0.03 0.03 -0.02 -0.02 0.01 -0.06 -0.02 -0.05 -0.12 0.02 0.16 -0.23 -0.16 -0.13 -0.11 0.07 -0.04 -0.06 0.03 0.02 0.02 -0.02 0.00 -0.05 -0.01 -0.04 -0.04 0.03 0.02 0.06 -0.01 0.31 -0.48 -0.30 -0.20 -0.09 0.15 -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 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.01 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.01 -0.04 0.00 -0.00 0.01 0.00 -0.04 -0.04 0.02 0.01 -0.02 -0.00 0.04 0.03 -0.03 -0.00 0.01 -0.00 0.11 -0.13 -0.05 -0.01 -0.01 0.01 0.19 0.11 -0.12 -0.01 -0.00 0.01 -0.13 -0.03 0.09 -0.16 0.11 0.08 -0.01 0.04 -0.00 0.00 -0.01 0.00 0.03 0.08 -0.01 0.01 -0.04 -0.01 0.02 0.19 0.02 -0.03 -0.09 0.01 -0.01 -0.06 -0.00 0.01 0.04 -0.00 0.01 -0.06 -0.01 0.02 -0.01 -0.02 0.06 0.20 -0.01 0.05 0.00 -0.03 -0.50 -0.31 0.31 0.01 0.04 -0.00 0.01 -0.04 -0.02 0.02 0.05 -0.01 0.00 -0.02 -0.00 -0.02 -0.22 -0.01 -0.23 0.32 0.22 -0.07 -0.08 0.05 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 0.01 -0.01 0.00 0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.02 -0.11 0.00 0.00 0.01 -0.00 -0.02 -0.09 0.01 0.18 -0.22 -0.07 -0.20 -0.14 0.15 -0.15 -0.07 0.10 0.14 -0.16 -0.04 0.13 -0.12 -0.06 -0.18 -0.12 0.13 0.02 0.23 -0.05 -0.01 -0.02 0.01 0.01 -0.02 -0.00 -0.04 -0.58 0.13 0.03 0.36 -0.08 0.02 0.07 -0.01 0.01 0.07 0.00 -0.01 0.06 0.02 0.04 0.05 -0.02 -0.00 -0.00 -0.00 -0.03 0.01 0.02 0.03 0.00 -0.02 -0.00 -0.04 -0.01 -0.01 -0.03 0.00 0.09 -0.12 -0.08 -0.02 -0.03 0.01 -0.02 0.02 0.02 0.03 0.00 -0.02 -0.00 -0.01 0.00 -0.01 -0.04 0.01 -0.00 -0.01 0.00 -0.00 -0.02 -0.00 -0.12 -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 -0.01 -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 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.12 -0.00 -0.02 -0.01 0.01 0.01 -0.11 -0.02 0.01 -0.02 -0.01 -0.02 -0.02 0.01 -0.01 -0.01 0.01 -0.02 0.02 0.02 0.01 -0.01 -0.01 -0.00 -0.02 0.00 0.00 0.02 -0.00 0.01 0.00 -0.01 0.03 -0.02 -0.02 -0.00 -0.03 0.01 -0.00 0.03 -0.00 0.23 -0.05 -0.18 -0.14 0.06 0.11 0.13 -0.03 -0.10 -0.24 0.01 0.18 0.02 0.13 0.01 0.04 -0.11 -0.05 -0.10 -0.10 0.05 0.07 0.15 -0.02 -0.03 -0.07 0.02 -0.05 -0.01 0.04 -0.20 -0.14 0.12 0.10 -0.23 -0.11 -0.15 -0.14 0.11 0.06 0.23 -0.02 0.01 0.31 0.03 0.01 -0.19 -0.04 0.21 -0.35 -0.20 0.14 -0.01 -0.12 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 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 -0.01 0.01 0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.02 -0.04 0.01 0.05 -0.01 -0.04 -0.12 -0.01 0.08 0.00 -0.02 0.00 0.01 0.02 -0.01 -0.01 0.01 0.00 0.02 -0.04 -0.01 -0.00 -0.01 0.00 0.04 0.04 -0.03 -0.00 0.00 0.00 -0.08 -0.01 0.05 -0.09 0.05 0.04 0.00 0.01 -0.00 0.03 -0.01 -0.02 -0.07 0.08 0.06 -0.20 0.00 0.14 0.22 -0.10 -0.17 0.14 0.03 -0.10 0.02 0.23 0.02 0.10 -0.19 -0.10 -0.19 -0.17 0.11 0.10 0.29 -0.03 -0.12 -0.24 0.05 -0.15 0.07 0.13 -0.28 -0.21 0.18 -0.07 0.13 0.07 0.10 0.07 -0.07 -0.04 -0.12 0.02 -0.02 -0.18 -0.00 -0.00 0.16 0.03 -0.09 0.15 0.09 -0.14 -0.04 0.11 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.01 0.01 -0.00 0.00 0.00 -0.00 0.04 0.19 -0.00 -0.00 -0.02 0.00 -0.02 -0.09 0.00 0.02 -0.02 -0.01 -0.02 -0.01 0.01 -0.01 -0.01 0.01 -0.03 0.04 0.03 0.01 -0.01 -0.00 0.05 0.02 -0.02 0.00 0.03 -0.01 -0.01 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.06 0.01 0.00 0.02 -0.00 -0.06 -0.08 0.04 0.02 -0.10 -0.03 0.04 0.05 -0.02 -0.01 0.06 0.01 -0.04 -0.08 0.01 0.04 0.01 -0.03 0.01 -0.01 -0.01 -0.01 0.06 0.01 0.04 0.23 0.00 -0.17 0.24 0.16 -0.42 -0.22 0.26 -0.02 -0.00 0.01 -0.03 0.02 0.03 0.00 -0.09 -0.01 0.03 0.05 -0.02 0.04 0.22 -0.01 0.28 -0.35 -0.27 0.23 0.15 -0.17 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.00 0.01 0.01 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.02 -0.01 0.00 -0.00 -0.00 -0.02 -0.01 0.01 -0.00 -0.00 0.00 0.02 0.01 -0.01 -0.01 0.01 0.01 0.00 0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.02 -0.04 0.04 0.02 0.08 -0.29 -0.04 -0.16 -0.10 -0.16 -0.25 -0.03 0.00 -0.36 -0.07 0.04 0.10 0.20 0.03 -0.37 0.39 -0.07 -0.17 0.14 -0.28 -0.35 -0.01 0.03 0.01 0.06 -0.05 -0.02 -0.05 -0.10 0.03 0.08 -0.08 -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 0.01 -0.02 -0.01 -0.01 -0.01 0.01 0.04 0.00 -0.02 -0.22 0.22 0.13 -0.03 0.02 0.02 0.28 0.12 -0.16 0.00 0.05 -0.01 -0.18 -0.08 0.12 0.15 -0.14 -0.07 -0.02 -0.24 0.05 -0.00 -0.02 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.00 0.01 -0.01 -0.01 0.02 0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.00 -0.01 0.01 0.00 -0.01 -0.01 0.01 -0.03 0.02 -0.02 0.04 0.00 0.06 -0.20 0.01 -0.15 -0.13 -0.16 -0.17 -0.10 0.09 -0.25 0.03 -0.02 -0.01 -0.09 -0.04 0.09 -0.08 0.06 0.04 -0.09 0.12 0.03 0.04 -0.08 0.03 -0.05 0.31 0.03 -0.03 0.25 -0.19 -0.26 0.21 -0.08 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.01 -0.03 -0.01 -0.02 -0.02 0.01 0.04 0.01 -0.03 -0.28 0.28 0.17 -0.04 0.02 0.02 0.34 0.15 -0.20 0.00 0.06 -0.01 -0.22 -0.10 0.15 0.19 -0.18 -0.09 -0.02 -0.30 0.07 -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 0.01 -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 -0.01 -0.01 0.02 0.01 -0.02 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.01 -0.02 0.00 -0.03 0.03 0.02 -0.02 -0.01 0.01 0.02 -0.02 0.01 -0.03 -0.00 -0.04 0.14 -0.01 0.11 0.10 0.11 0.12 0.08 -0.07 0.18 -0.03 0.02 0.02 0.08 0.03 -0.10 0.09 -0.06 -0.04 0.08 -0.11 -0.04 -0.03 0.06 -0.02 0.04 -0.24 -0.02 0.02 -0.20 0.14 0.21 -0.17 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 0.01 -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 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.04 -0.01 -0.06 0.26 0.05 0.16 0.14 0.17 0.21 0.07 -0.05 0.32 -0.05 0.02 0.06 0.17 0.04 -0.23 0.27 -0.02 -0.13 0.10 -0.20 -0.24 0.03 -0.08 0.02 -0.04 0.34 0.01 -0.00 0.31 -0.18 -0.30 0.24 -0.06 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.01 -0.00 0.01 0.04 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.01 -0.01 -0.00 0.01 0.03 -0.02 -0.02 0.01 -0.01 -0.01 0.02 0.03 -0.02 0.00 -0.00 -0.00 0.03 0.01 -0.02 -0.02 0.03 0.01 0.00 0.03 -0.01 -0.00 -0.00 0.00 -0.15 0.01 0.12 0.11 -0.04 -0.09 -0.09 -0.05 0.05 0.08 -0.10 -0.07 0.00 0.08 0.01 -0.06 -0.01 0.04 0.02 -0.06 -0.02 0.04 0.11 -0.01 -0.12 -0.37 0.03 0.08 -0.18 -0.08 -0.22 -0.18 0.13 -0.05 -0.07 0.04 0.06 -0.04 -0.06 0.03 0.09 -0.02 0.01 0.15 0.01 -0.04 -0.50 -0.02 0.17 -0.34 -0.17 -0.18 -0.18 0.12 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.03 -0.01 -0.01 0.04 0.02 -0.01 0.04 -0.04 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.03 0.02 0.04 -0.02 -0.01 0.00 -0.04 0.01 0.00 -0.00 -0.07 -0.03 0.04 -0.04 0.01 -0.04 0.03 -0.01 0.05 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 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 0.01 -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 0.02 0.00 -0.01 0.02 0.01 0.01 0.01 -0.00 0.00 -0.00 0.00 -0.02 0.03 0.01 -0.20 -0.22 -0.04 0.22 0.15 0.05 0.26 -0.30 -0.13 0.02 -0.02 0.02 -0.24 -0.11 0.11 0.21 0.18 -0.13 -0.24 0.19 -0.30 -0.00 -0.00 -0.03 -0.11 -0.25 0.06 0.14 0.23 -0.00 -0.03 0.10 0.38 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.00 0.00 -0.00 0.02 0.01 -0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.01 -0.02 0.01 0.01 0.01 0.01 -0.01 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.01 0.00 -0.01 -0.00 0.01 0.00 -0.01 -0.02 0.00 0.02 0.06 -0.00 -0.02 0.03 0.02 0.03 0.03 -0.02 -0.01 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.01 -0.00 -0.00 -0.03 -0.00 0.01 -0.03 -0.01 -0.01 -0.01 0.01 -0.00 -0.00 0.01 0.01 0.02 -0.02 0.01 -0.27 0.12 -0.16 0.01 0.22 -0.01 -0.00 -0.15 -0.02 -0.04 -0.01 0.28 0.23 0.40 -0.06 0.55 -0.07 0.07 -0.17 -0.22 0.01 0.01 0.01 -0.12 0.10 0.07 -0.17 -0.13 -0.10 0.09 -0.09 -0.10 -0.00 0.00 0.00 -0.01 0.01 0.01 -0.02 0.01 0.02 0.01 0.00 -0.01 0.02 -0.00 -0.01 0.01 -0.00 -0.01 -0.01 0.01 0.00 -0.10 0.12 0.04 -0.00 -0.01 0.00 -0.10 -0.07 0.08 -0.00 0.00 0.00 0.00 0.02 -0.01 -0.01 -0.00 0.01 -0.00 0.01 0.00 0.01 -0.00 -0.00 0.07 0.00 -0.06 0.09 -0.05 -0.08 -0.08 -0.03 0.05 -0.04 0.04 0.03 0.01 0.07 0.00 -0.06 0.00 0.04 0.02 -0.06 -0.03 0.03 0.09 -0.01 -0.09 -0.32 0.02 0.09 -0.18 -0.09 -0.18 -0.16 0.10 0.03 0.03 -0.02 -0.04 0.01 0.04 -0.01 -0.05 0.00 -0.00 -0.06 -0.00 0.03 0.23 0.01 -0.07 0.16 0.07 0.10 0.09 -0.07 0.00 -0.00 0.00 0.02 0.02 -0.02 0.07 -0.28 0.16 -0.27 -0.03 0.26 -0.08 0.08 -0.16 -0.00 -0.01 0.00 -0.00 0.02 0.07 0.03 0.10 -0.03 -0.02 0.00 -0.08 -0.03 -0.01 0.00 0.28 0.01 -0.17 0.21 0.03 0.19 -0.12 0.09 -0.10 0.00 0.00 0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.01 -0.01 -0.00 0.01 -0.01 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.04 -0.05 -0.02 0.00 0.00 -0.00 0.05 0.03 -0.03 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.04 -0.01 0.03 -0.04 0.02 0.03 0.03 0.02 -0.02 0.03 -0.02 -0.02 -0.01 -0.03 -0.00 0.03 -0.00 -0.02 -0.01 0.03 0.01 -0.01 -0.04 0.00 0.04 0.15 -0.01 -0.04 0.08 0.04 0.07 0.07 -0.04 -0.02 -0.02 0.01 0.03 -0.01 -0.02 0.00 0.03 -0.00 0.00 0.04 0.00 -0.02 -0.15 -0.00 0.03 -0.08 -0.03 -0.07 -0.06 0.05 0.01 -0.00 -0.00 0.02 0.02 -0.02 0.10 -0.29 0.19 -0.32 -0.05 0.28 -0.12 0.12 -0.17 0.00 0.01 0.01 -0.12 -0.08 -0.08 0.07 -0.10 -0.02 -0.07 0.08 -0.01 -0.04 -0.01 0.00 0.39 -0.06 -0.24 0.33 0.08 0.28 -0.17 0.13 -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 -0.01 -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 -0.03 0.03 -0.03 -0.00 0.02 0.02 -0.20 -0.28 -0.02 0.13 0.12 0.13 0.20 -0.23 -0.20 -0.02 0.01 -0.02 0.34 0.15 -0.13 -0.31 -0.16 0.18 0.30 -0.24 0.36 0.01 -0.02 -0.01 -0.00 -0.11 0.01 0.11 0.17 0.00 -0.08 0.10 0.17 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -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 -0.01 0.01 0.01 -0.00 0.00 0.00 0.01 -0.03 -0.04 0.02 -0.02 0.01 0.20 0.19 0.07 -0.27 -0.18 -0.07 -0.27 0.31 0.08 -0.02 0.00 0.01 0.13 0.08 0.04 -0.04 0.09 0.01 0.08 -0.11 -0.02 0.00 0.00 -0.03 -0.20 -0.36 0.13 0.11 0.32 -0.07 -0.00 0.10 0.51 -0.00 0.00 0.00 -0.02 -0.00 0.02 0.02 -0.00 -0.02 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.01 0.01 -0.00 0.01 0.01 -0.01 -0.02 0.01 0.02 0.01 -0.01 -0.00 -0.03 -0.01 0.01 -0.01 0.00 0.01 -0.04 -0.01 0.03 -0.03 0.02 0.02 -0.01 -0.00 0.01 -0.01 0.00 0.01 -0.01 0.13 0.02 -0.06 -0.11 0.02 -0.00 0.11 0.02 -0.04 -0.11 0.02 0.06 0.04 -0.04 -0.02 0.07 0.03 -0.09 -0.07 0.05 0.04 -0.04 -0.04 0.02 -0.14 -0.04 0.21 -0.17 -0.18 0.40 0.16 -0.26 -0.06 0.11 0.06 -0.05 -0.06 0.03 0.04 -0.07 -0.04 0.05 0.02 -0.04 0.08 0.14 -0.05 0.32 -0.33 -0.29 0.28 0.08 -0.21 0.00 0.00 -0.00 0.00 0.00 -0.00 0.02 -0.04 0.03 -0.05 -0.01 0.04 -0.02 0.02 -0.03 0.00 0.00 0.00 -0.03 -0.02 -0.04 0.02 -0.05 0.00 -0.01 0.02 0.01 0.00 0.00 -0.00 -0.02 -0.03 0.02 -0.01 0.01 -0.01 0.02 -0.01 0.03 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.01 0.01 0.00 -0.01 0.00 0.01 -0.03 0.04 0.01 0.01 -0.01 -0.01 0.01 0.02 -0.00 -0.00 0.00 0.00 0.01 0.01 -0.01 -0.02 0.02 0.01 -0.00 0.02 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.01 -0.01 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.01 0.00 -0.01 -0.01 0.01 0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.02 -0.01 -0.02 0.05 0.02 -0.03 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.02 0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.00 -0.03 -0.03 0.01 -0.01 -0.01 0.02 -0.07 0.32 -0.18 0.24 0.00 -0.30 0.06 -0.05 0.20 -0.00 -0.02 -0.01 0.17 0.14 0.24 -0.08 0.31 -0.01 0.08 -0.12 -0.11 -0.03 -0.00 0.00 0.36 -0.06 -0.22 0.30 0.05 0.27 -0.17 0.14 -0.08 0.00 0.00 -0.00 -0.02 -0.09 0.00 0.00 0.01 0.00 0.01 0.01 0.00 -0.10 -0.03 0.07 0.09 -0.07 -0.04 0.12 0.01 -0.08 0.18 -0.34 -0.08 -0.13 0.07 0.06 -0.19 -0.23 0.14 0.00 -0.02 0.00 -0.20 -0.12 0.14 0.22 -0.22 -0.09 -0.01 -0.19 0.04 0.01 0.12 -0.03 0.01 0.10 0.00 0.03 0.10 -0.01 -0.01 -0.07 -0.00 -0.02 -0.06 0.01 -0.03 -0.02 0.02 0.00 -0.05 -0.01 0.07 0.05 -0.04 -0.03 0.01 0.02 -0.02 0.08 0.03 -0.13 0.08 0.11 -0.27 -0.11 0.18 -0.04 0.08 0.04 -0.02 -0.04 0.01 0.02 -0.03 -0.02 0.03 -0.00 -0.02 0.04 0.08 -0.03 0.18 -0.18 -0.16 0.14 0.03 -0.11 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.01 0.07 -0.03 0.04 -0.00 -0.06 0.01 -0.00 0.04 -0.00 -0.00 -0.00 0.04 0.03 0.06 -0.01 0.08 -0.01 0.01 -0.03 -0.04 -0.01 0.00 -0.00 0.09 -0.04 -0.05 0.08 0.02 0.07 -0.04 0.04 -0.00 0.00 0.00 0.00 0.02 0.11 -0.00 -0.00 -0.01 0.00 -0.01 -0.10 0.01 -0.09 -0.02 0.06 0.06 -0.08 -0.02 0.09 0.00 -0.05 0.25 -0.38 -0.10 -0.11 0.08 0.05 -0.15 -0.21 0.13 0.01 -0.03 -0.00 -0.10 -0.08 0.08 0.20 -0.19 -0.09 0.01 -0.13 0.02 0.02 0.13 -0.04 -0.02 -0.12 -0.00 -0.03 -0.13 0.00 0.00 0.11 0.01 0.03 0.10 -0.01 0.05 0.02 -0.03 -0.03 0.08 0.03 -0.07 -0.08 0.04 0.04 0.01 -0.03 0.01 -0.15 -0.03 0.19 -0.15 -0.16 0.26 0.07 -0.18 0.04 -0.09 -0.04 0.04 0.06 -0.03 -0.03 0.03 0.03 -0.03 0.01 0.03 -0.06 -0.10 0.03 -0.19 0.17 0.17 -0.18 -0.04 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 0.01 0.00 0.01 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.02 0.01 0.01 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.03 0.08 0.01 -0.07 -0.05 0.05 -0.11 -0.08 0.08 0.34 -0.29 -0.20 -0.06 0.10 0.02 0.48 0.22 -0.30 0.08 -0.01 -0.05 0.34 0.08 -0.22 0.27 -0.16 -0.14 0.11 -0.01 -0.06 0.07 -0.03 -0.04 0.01 0.03 -0.00 0.00 -0.01 -0.00 -0.01 -0.01 0.01 -0.01 -0.01 0.01 0.01 0.01 -0.00 -0.01 0.00 0.01 0.01 -0.01 -0.01 -0.00 0.01 0.00 -0.00 -0.03 -0.00 0.01 -0.03 -0.02 -0.02 -0.02 0.01 0.01 0.02 -0.00 -0.02 -0.01 0.01 0.01 -0.02 -0.01 -0.00 -0.01 -0.00 0.02 0.05 -0.01 0.02 0.01 -0.01 0.06 0.03 -0.04 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.01 0.01 -0.02 0.01 0.01 0.01 -0.00 0.01 -0.00 0.00 -0.00 0.03 -0.01 -0.01 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 0.01 -0.00 -0.11 0.14 0.05 0.12 0.09 -0.09 -0.01 -0.18 0.04 0.25 -0.22 -0.16 -0.01 -0.18 0.04 -0.31 -0.11 0.17 0.02 0.35 -0.08 0.10 -0.17 -0.02 -0.13 -0.12 0.10 -0.04 -0.59 0.14 -0.01 -0.12 0.03 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -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 0.00 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 -0.01 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 0.01 0.05 -0.00 -0.01 -0.01 0.00 0.00 0.03 -0.00 0.01 0.01 -0.01 0.00 0.01 -0.00 -0.01 -0.00 0.01 -0.02 0.04 0.00 -0.00 0.00 0.00 0.02 0.01 -0.01 0.00 0.00 -0.00 0.02 0.01 -0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.00 0.16 -0.09 -0.13 -0.13 -0.02 0.09 0.09 -0.09 -0.08 -0.16 -0.07 0.12 0.08 -0.05 -0.07 -0.15 0.13 0.13 0.15 -0.00 -0.11 -0.05 0.04 0.04 0.10 -0.03 -0.08 0.16 -0.22 -0.15 -0.16 -0.18 0.09 -0.18 0.06 0.15 0.26 0.09 -0.20 -0.13 -0.03 0.10 0.08 0.04 -0.06 -0.15 0.03 0.12 0.10 -0.30 -0.11 -0.32 -0.20 0.23 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -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 0.01 0.03 -0.00 -0.00 -0.00 0.04 -0.01 -0.02 0.05 -0.01 -0.03 -0.06 -0.01 0.04 -0.03 0.08 0.01 -0.06 0.03 0.03 -0.06 -0.08 0.05 0.03 -0.01 -0.02 0.08 0.04 -0.06 0.07 -0.08 -0.03 0.03 -0.01 -0.02 0.01 0.00 -0.00 0.12 -0.06 -0.10 0.19 0.01 -0.14 -0.14 0.13 0.12 -0.12 -0.05 0.09 -0.11 0.08 0.09 0.21 -0.18 -0.18 -0.19 0.01 0.14 0.06 -0.07 -0.05 -0.15 0.03 0.11 -0.22 0.29 0.21 0.20 0.23 -0.11 -0.12 0.04 0.10 0.18 0.06 -0.14 -0.09 -0.03 0.07 0.05 0.03 -0.04 -0.10 0.03 0.08 0.06 -0.20 -0.07 -0.22 -0.13 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 -0.01 -0.00 0.01 -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.06 -0.00 -0.05 -0.03 0.00 0.03 -0.04 0.01 0.02 0.12 -0.04 -0.06 0.12 -0.00 -0.08 -0.13 -0.01 0.08 -0.14 0.24 0.05 -0.13 0.06 0.07 -0.18 -0.19 0.15 0.06 -0.01 -0.03 0.12 0.09 -0.09 0.11 -0.14 -0.04 0.07 -0.02 -0.04 -0.03 0.01 0.02 -0.01 -0.17 -0.01 0.03 0.11 -0.00 0.02 -0.06 -0.02 0.04 0.07 -0.02 -0.03 -0.20 -0.01 -0.01 0.13 0.03 -0.09 -0.10 0.05 0.05 0.11 -0.02 0.09 0.22 -0.03 0.12 0.01 -0.09 0.14 0.01 -0.10 -0.07 0.19 0.07 -0.06 -0.16 0.03 0.05 0.28 -0.01 0.01 -0.17 -0.03 -0.02 -0.33 -0.03 0.18 -0.10 -0.15 0.13 -0.09 -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 -0.02 0.01 0.01 -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.08 0.01 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.01 0.00 0.01 -0.02 -0.00 0.01 0.02 0.00 -0.01 0.02 -0.03 -0.00 0.02 -0.00 -0.01 0.03 0.02 -0.02 -0.01 -0.01 0.01 -0.02 -0.01 0.01 -0.01 0.02 0.00 -0.01 0.01 0.00 0.01 0.01 -0.00 0.01 -0.17 -0.03 -0.09 -0.20 0.03 0.01 0.12 0.01 0.02 0.09 -0.01 0.07 0.33 0.00 -0.00 -0.20 -0.03 0.16 0.17 -0.09 -0.09 -0.18 0.03 -0.12 -0.38 0.03 -0.18 -0.05 0.12 -0.24 -0.02 0.17 -0.07 0.17 0.07 -0.05 -0.14 0.02 0.04 0.26 -0.00 0.02 -0.16 -0.03 -0.03 -0.30 -0.01 0.16 -0.10 -0.14 0.10 -0.10 -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 -0.10 0.02 0.09 0.07 -0.02 -0.06 -0.05 0.01 0.03 0.20 -0.08 -0.10 0.21 -0.00 -0.13 -0.20 -0.01 0.12 -0.22 0.37 0.08 -0.19 0.08 0.10 -0.30 -0.29 0.23 0.09 -0.01 -0.05 0.17 0.14 -0.13 0.15 -0.21 -0.05 0.10 -0.03 -0.06 -0.06 0.01 0.04 -0.04 0.07 0.04 -0.06 -0.05 0.04 0.05 0.05 -0.03 0.03 -0.07 -0.03 0.03 0.09 -0.01 -0.02 -0.05 0.01 0.09 0.07 -0.05 -0.05 -0.08 0.02 -0.02 -0.08 -0.00 -0.05 -0.03 0.03 -0.10 -0.02 0.07 0.05 -0.10 -0.05 -0.00 0.05 0.01 -0.01 -0.10 -0.01 -0.01 0.10 0.02 0.01 0.08 -0.00 -0.08 0.06 0.08 -0.03 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 -0.02 0.01 0.01 -0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.58 -0.12 -0.48 -0.37 0.08 0.30 0.02 -0.00 -0.01 0.06 -0.03 -0.03 0.07 0.01 -0.04 -0.06 -0.00 0.03 -0.05 0.08 0.02 -0.05 0.02 0.03 -0.07 -0.06 0.04 0.03 -0.00 -0.02 0.04 0.04 -0.03 0.03 -0.05 -0.01 0.03 -0.01 -0.02 -0.05 0.01 0.03 -0.08 0.10 0.07 -0.11 -0.05 0.08 0.02 0.04 -0.01 0.00 -0.04 -0.01 0.05 0.09 -0.02 -0.01 -0.04 0.00 0.03 0.03 -0.02 -0.02 -0.04 0.01 0.01 -0.14 -0.03 -0.00 -0.06 -0.01 -0.04 -0.01 0.03 0.02 -0.04 -0.02 0.00 0.04 0.00 0.01 -0.11 -0.02 -0.00 0.04 0.01 0.06 0.13 -0.03 -0.03 0.02 0.03 0.02 0.06 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -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 -0.03 -0.25 0.13 0.29 0.17 -0.36 0.11 0.50 0.47 -0.10 0.01 0.00 -0.00 -0.03 0.07 -0.02 0.04 0.01 0.05 -0.10 -0.09 0.02 0.00 0.02 -0.00 0.07 0.02 0.13 0.11 -0.05 -0.12 -0.23 -0.22 0.04 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -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 -0.06 0.03 0.07 0.04 -0.09 0.03 0.12 0.11 -0.02 0.03 0.00 -0.02 -0.12 0.25 -0.08 0.13 0.03 0.20 -0.36 -0.34 0.08 -0.01 -0.04 0.01 -0.14 -0.03 -0.24 -0.22 0.10 0.24 0.43 0.42 -0.08 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.11 0.05 0.13 0.07 -0.15 0.05 0.20 0.19 -0.04 -0.04 -0.00 0.02 0.15 -0.31 0.09 -0.16 -0.04 -0.25 0.43 0.41 -0.10 -0.00 -0.03 0.00 -0.10 -0.02 -0.17 -0.16 0.07 0.17 0.30 0.29 -0.05 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.04 -0.06 0.05 0.31 -0.18 -0.37 -0.24 0.46 -0.14 0.43 0.40 -0.08 0.00 0.02 0.00 0.07 -0.13 0.04 -0.04 -0.01 -0.07 -0.08 -0.08 0.02 0.02 0.00 -0.00 -0.04 -0.01 -0.07 -0.10 0.05 0.11 -0.08 -0.08 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.01 0.01 -0.02 0.01 -0.01 -0.01 0.00 -0.02 -0.06 -0.00 -0.22 0.42 -0.13 0.13 0.02 0.22 0.29 0.26 -0.06 0.06 0.01 -0.02 -0.13 -0.03 -0.24 -0.34 0.18 0.38 -0.28 -0.28 0.05 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 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 0.09 -0.05 -0.11 -0.07 0.14 -0.05 0.14 0.13 -0.02 -0.02 -0.06 -0.00 -0.22 0.43 -0.13 0.13 0.02 0.22 0.30 0.27 -0.07 -0.06 -0.01 0.01 0.11 0.02 0.21 0.30 -0.15 -0.34 0.26 0.26 -0.04 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.03 -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 -0.01 0.03 0.01 -0.05 -0.06 0.03 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.01 0.54 0.75 -0.35 0.03 -0.12 -0.03 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 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 0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.06 -0.07 -0.03 -0.43 0.22 0.52 -0.29 0.60 -0.20 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.02 0.01 0.03 0.01 0.01 -0.00 0.00 0.00 0.00 -0.02 -0.00 -0.03 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 -0.01 -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 0.01 -0.00 0.02 -0.08 -0.03 -0.00 0.00 0.00 0.01 -0.00 -0.01 -0.07 -0.11 0.04 -0.23 0.91 0.32 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.03 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.02 -0.01 -0.02 0.01 -0.03 0.01 -0.00 0.00 0.00 -0.06 0.02 -0.07 0.21 -0.43 0.12 0.42 0.11 0.70 0.07 0.07 -0.02 0.00 0.01 0.02 -0.11 -0.02 -0.19 0.09 -0.04 -0.09 -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 -0.01 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 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.02 0.01 -0.02 0.05 -0.11 0.03 0.11 0.03 0.18 0.02 0.02 -0.01 -0.01 -0.03 -0.09 0.42 0.08 0.71 -0.32 0.15 0.33 0.07 0.07 -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.04 -0.08 -0.01 0.00 -0.00 0.00 -0.02 -0.03 0.02 0.00 0.01 -0.00 -0.38 0.89 0.08 -0.01 0.00 0.00 -0.01 0.04 0.00 -0.06 -0.12 0.06 0.09 -0.02 -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 -0.01 0.00 0.01 0.02 0.02 -0.01 0.01 -0.03 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -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 0.01 -0.01 -0.00 -0.01 0.03 -0.00 0.31 0.44 -0.26 -0.01 -0.02 0.01 -0.06 0.13 0.01 0.04 -0.01 -0.02 0.14 -0.39 -0.01 0.13 0.22 -0.12 -0.43 0.09 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 -0.02 0.00 0.01 0.01 0.02 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.18 -0.05 -0.14 -0.14 -0.18 0.07 0.01 -0.02 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 0.00 0.02 0.00 0.00 -0.00 0.01 -0.03 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.08 -0.11 0.07 0.01 0.01 -0.01 0.02 -0.05 -0.01 -0.02 0.00 0.01 -0.06 0.16 0.00 -0.06 -0.10 0.06 0.19 -0.04 -0.11 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.04 0.01 0.03 0.03 0.04 -0.02 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.51 -0.15 -0.40 -0.36 -0.48 0.18 0.02 -0.09 -0.03 0.00 0.00 -0.00 -0.00 0.01 0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.09 0.01 0.08 -0.01 -0.01 0.01 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 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -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 0.02 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.01 -0.02 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 -0.01 0.00 0.01 0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.09 -0.03 -0.07 -0.07 -0.09 0.03 0.00 -0.02 -0.01 -0.01 -0.01 0.01 0.02 -0.06 -0.02 -0.04 0.01 0.04 0.00 0.00 -0.00 0.52 -0.06 -0.42 0.06 0.08 -0.04 -0.17 0.66 0.20 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.03 -0.05 0.03 -0.01 0.01 0.00 0.01 0.00 -0.00 0.37 0.52 -0.31 0.02 0.03 -0.02 0.04 -0.08 -0.01 -0.03 0.01 0.02 -0.01 0.02 0.00 -0.23 -0.40 0.22 0.40 -0.08 -0.23 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.06 0.02 0.04 0.02 0.02 -0.01 -0.00 0.02 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.02 0.01 0.00 -0.00 -0.00 0.02 -0.05 -0.00 0.14 0.19 -0.12 -0.02 -0.04 0.02 -0.02 0.05 0.01 -0.01 0.01 0.01 -0.20 0.55 0.02 0.27 0.47 -0.25 0.17 -0.04 -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 0.02 -0.01 -0.02 0.01 0.02 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.22 0.07 0.17 -0.16 -0.22 0.08 0.01 -0.02 -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 0.09 -0.01 -0.07 -0.00 -0.01 0.00 0.02 -0.10 -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 -0.01 -0.01 0.01 0.00 -0.00 -0.00 0.01 -0.02 -0.00 0.08 0.11 -0.07 -0.01 -0.02 0.01 -0.01 0.03 0.00 -0.01 0.00 0.00 -0.09 0.26 0.01 0.13 0.22 -0.12 0.09 -0.02 -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 -0.04 0.01 0.03 -0.03 -0.04 0.01 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.43 -0.13 -0.33 0.34 0.45 -0.17 -0.02 0.06 0.02 -0.00 -0.00 0.00 0.00 -0.02 -0.01 0.02 -0.00 -0.02 0.00 0.00 0.00 -0.21 0.02 0.17 0.02 0.02 -0.01 -0.06 0.24 0.07 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.02 0.01 0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.01 0.01 -0.02 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 -0.01 -0.02 0.01 0.02 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.22 0.06 0.17 -0.16 -0.22 0.08 0.01 -0.03 -0.01 -0.01 -0.00 0.00 0.01 -0.05 -0.01 0.05 -0.00 -0.04 0.00 0.00 -0.00 -0.51 0.06 0.42 0.04 0.05 -0.03 -0.14 0.57 0.18 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 0.01 -0.00 0.00 0.00 0.02 -0.05 -0.00 0.05 0.07 -0.04 0.02 0.03 -0.02 0.01 -0.01 -0.00 0.05 -0.01 -0.03 -0.21 0.58 0.02 -0.19 -0.34 0.18 -0.55 0.11 0.32 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 6 8 5 6 6 6 1 6 1 6 1 1 1 7 6 6 6 6 6 6 6 7 1 1 1 6 6 6 7 1 1 1 6 6 1 1 1 6 1 1 1 6 1 1 1 53 298.150 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 6 8 5 6 6 6 1 6 1 6 1 1 1 7 6 6 6 6 6 6 6 7 1 1 1 6 6 6 7 1 1 1 6 6 1 1 1 6 1 1 1 6 1 1 1 53 12.00000 15.99491 11.00931 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 1.00783 1.00783 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 1.00783 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 1.00783 12.00000 12.00000 1.00783 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 126.90040 456.07034 0.99599 0.08657 -0.0227 -0.06477 0.87225 0.48476 0.06177 -0.48134 0.87435 asymmetric 1 0.00876 0.00698 0.00676 0.18244 0.14540 0.14080 964218.3 16.87 26.86 34.68 44.42 56.53 64.33 92.01 106.31 132.78 156.19 197.20 229.02 278.71 344.04 348.82 364.09 372.57 375.83 377.09 391.61 405.52 446.43 456.27 505.38 527.65 535.30 574.39 578.19 599.64 609.28 616.91 679.07 689.33 737.75 743.30 817.42 879.85 906.07 915.07 964.46 983.81 999.23 1010.76 1070.03 1128.17 1132.00 1146.94 1170.91 1195.19 1202.42 1274.36 1291.83 1306.15 1361.76 1362.98 1365.36 1392.04 1394.92 1397.60 1402.96 1440.37 1442.92 1474.29 1492.36 1498.59 1503.37 1504.79 1505.44 1553.99 1564.14 1575.75 1586.48 1604.73 1621.08 1629.00 1677.21 1680.52 1697.36 1718.52 1736.98 1815.16 1817.90 1824.98 1848.55 1852.55 1911.57 1927.37 1930.65 1957.46 2010.85 2013.74 2014.52 2043.71 2085.40 2086.67 2099.75 2102.88 2108.04 2124.91 2127.56 2137.41 2149.16 2159.02 2185.74 2202.23 2306.55 2335.43 2345.94 2399.69 2411.44 2424.66 2557.70 4374.12 4377.08 4383.49 4512.53 4517.58 4521.02 4556.15 4558.52 4558.94 4578.90 4583.26 4604.58 4636.22 4638.03 4638.49 4646.00 4656.55 4656.93 4657.46 4668.05 0.367251 0.391174 0.392119 0.308882 -1334.867201 -1334.843278 -1334.842334 -1334.925570 245.466 90.779 175.186 0.000 0.000 1.377 0.889 2.981 44.241 0.889 2.981 35.708 243.688 84.818 93.859 1 0.593 1.987 7.695 2 0.593 1.986 6.771 3 0.593 1.985 6.264 4 0.594 1.984 5.773 5 0.594 1.981 5.294 6 0.595 1.980 5.039 7 0.597 1.972 4.331 8 0.599 1.966 4.047 9 0.602 1.955 3.611 10 0.606 1.942 3.294 11 0.614 1.916 2.844 12 0.621 1.892 2.560 13 0.635 1.849 2.192 14 0.657 1.781 1.809 15 0.659 1.775 1.785 16 0.664 1.758 1.709 17 0.668 1.748 1.669 18 0.669 1.744 1.654 19 0.669 1.742 1.648 20 0.675 1.725 1.582 21 0.681 1.707 1.522 22 0.699 1.654 1.361 23 0.704 1.641 1.325 24 0.728 1.573 1.161 25 0.740 1.541 1.093 26 0.744 1.530 1.071 27 0.765 1.472 0.966 28 0.767 1.466 0.956 29 0.780 1.434 0.903 30 0.786 1.419 0.880 31 0.790 1.408 0.863 32 0.829 1.312 0.732 33 0.836 1.296 0.712 34 0.868 1.222 0.627 35 0.872 1.213 0.618 36 0.924 1.100 0.508 37 0.971 1.007 0.430 0.704629e+27 26.847961 61.819714 0.648028e+11 10.811594 24.894614 0.200000e+01 0.301030 0.693147 0.382826e+09 8.583002 19.763092 0.142015e+08 7.152335 16.468861 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 4.9651 0.5327 -2.5253 5.5958 -167.9909 -154.0082 -171.1602 6.2219 -5.2674 2.3190 -3.6045 10.3783 -6.7738 6.2219 -5.2674 2.3190 140.5793 -28.0613 82.1958 -12.0595 -39.7884 3.2826 67.5515 -9.7255 29.8448 14.3904 -5757.3221 -3407.5685 -3254.2149 78.4052 65.5289 -47.2492 -48.1963 -30.5397 -83.9953 -1435.3696 -1408.5495 -1176.4485 -27.9873 -44.3115 -9.0858 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 2-A -1335.2344522 0.790068 0. 0.751472 1.927E-9 7.57E-7 0.3672514 0.3911744 -1334.8432778 -1334.8423336 -1334.9255701 -0.9878526,1.8092244,-0.8213718,3.1206961,-0.7761543,8.540778 C01 [X(C20H20B1I1N3O1)] 2.1382727 0.5021517 0.1502147 2.3629018 0.152862 -0.3133213 0.3239481 0.8878922 0.3631793 -0.4619455 0.3950048 0.6117343 -2.3454896 -0.1186483 0.3107047 -0.2448571 -0.5292044 -0.0828093 0.4753464 -0.1 -0.4978442 -2.9166706 -0.0834886 0.478771 -0.0113979 0.1464414 -0.0298751 0.4240541 -0.0157861 0.0770326 -1.4333487 0.0542978 0.2042997 1.4043853 0.0145537 -0.2195733 0.7734239 -0.0220366 -0.0880633 -1.4127363 -0.112163 0.2037673 -1.4730346 -0.062425 0.1547688 -0.4460596 -0.0089185 0.055059 1.0108195 -0.1584949 -0.2255405 0.2378776 0.0020903 0.0271102 -0.0251508 0.0619181 -0.0882723 -0.0104591 0.0786665 0.1205053 -0.034747 0.119712 0.046017 0.0286224 0.0286985 0.1555578 0.9095734 0.2166232 -0.1000792 -0.1239369 0.0123195 0.0623283 -0.1990347 0.0355666 -0.0875454 -0.0346591 -0.0851771 -0.0667811 0.0219756 0.1402153 0.0152962 0.030774 0.0247297 0.146404 -1.1667061 -0.0214405 0.1520616 -0.0719432 0.0441713 0.0430384 0.0695783 0.056807 -0.088612 0.0675404 0.0248516 0.0143815 0.0810174 0.0088023 -0.0537161 0.0214999 -0.0426059 0.1022131 0.0636179 -0.034483 -0.0037143 -0.0859934 0.0017625 -0.0278546 -0.0239596 -0.0497807 0.1080632 -0.0255127 -0.0056495 0.0201042 -0.0064828 0.0906417 -0.0115569 0.0142324 -0.0134884 0.1143738 4.2384992 0.0970643 -0.6112964 0.1246561 -0.2343643 -0.0947383 -0.5886299 -0.0836393 -0.0811924 -1.0061331 0.2436059 0.3422231 -0.8800654 -0.4325565 -0.0844949 -0.3271294 -0.3371912 -0.1980989 -0.8668375 -0.3186473 -0.0927335 0.6400193 -0.3928655 -0.3738344 0.6902058 -0.1460244 -0.2981343 1.0137694 0.3770875 0.0914282 1.341022 0.3446109 0.0261491 0.4929249 0.1537837 0.0410498 0.9958629 -0.3133321 -0.3646991 -1.2900078 0.2359182 0.3803313 -0.8672884 0.2240218 0.3009084 0.2031042 0.1206973 0.0420408 -0.2388358 0.2286347 0.2640872 -0.2357302 0.1442017 0.1376001 -0.556593 0.1798587 0.2194962 0.1094219 -0.1602613 -0.083798 0.1966175 -0.0800217 -0.2452993 0.7671983 -0.0418819 -0.2057628 0.3453851 0.3158846 0.1712256 0.079442 0.2260873 0.2313551 -0.2939686 -0.1272367 -0.0906207 -0.8441317 -0.6507752 -0.1312635 -0.5763528 -0.302363 -0.430853 0.02878 -0.0220925 0.0014784 0.0568654 0.1242052 0.0061339 0.0624722 0.0300471 0.1075346 0.0406225 -0.0661032 -0.0304388 -0.0721914 -0.0060949 -0.0772134 -0.0344539 -0.0702474 0.0759777 0.0494474 0.068048 0.063178 -0.0002588 -0.0324108 -0.0994556 0.0061153 -0.1014526 -0.0018728 0.7645745 0.1749497 -0.039694 -0.2238056 0.3735899 0.179618 -0.3962904 0.144006 0.1616921 -0.6102692 -0.2545421 -0.0711442 -0.1975687 -0.2677637 -0.0328059 0.0305891 -0.0108203 -0.1205801 0.21528 -0.0611405 -0.1010821 0.3170134 0.2917993 0.1343972 0.0996953 0.2307475 0.094524 -0.1938945 0.0909224 0.0004671 0.8862609 -0.6731791 -0.3290187 0.5725846 -0.2181024 -0.5339255 0.0276568 0.0145403 0.029895 -0.0716663 0.12685 0.0346637 -0.0211241 0.0110788 0.1089078 0.0429008 -0.0981564 -0.0412771 -0.0170834 -0.06619 -0.0761484 0.0022836 -0.0703303 0.0441753 0.055319 0.0431846 0.0433904 0.0469627 0.0058739 -0.0836842 0.0540361 -0.0875999 0.053338 0.3029982 0.2633238 0.336244 0.2583078 0.3371892 0.2962994 0.2269263 0.2058949 0.4115439 0.017019 -0.0171913 -0.0826896 -0.0500306 -0.0220985 -0.0681738 -0.001381 0.0432158 -0.0498434 -0.0380519 -0.0048426 0.093211 0.0196858 0.0633054 0.0123518 0.007168 0.0084042 0.0236055 0.0386385 0.0533621 -0.0032307 0.0661739 -0.0553737 0.0413834 0.0172262 -0.0342238 0.0458362 -0.0112186 -0.0637636 -0.1018792 -0.0772792 0.0086673 -0.0712256 -0.0739572 -0.0406233 -0.0637269 0.0068419 -0.0056929 0.0185929 -0.0842476 -0.0141771 -0.0152335 0.0406439 -0.0368744 -0.0871324 0.0300134 0.0226834 0.0114881 0.0846758 -0.0519949 0.0059371 0.0139186 -0.0039728 0.0592885 -0.0170176 0.0161514 -0.0258202 -0.0013606 0.0208191 0.02677 0.0344202 0.0303052 -0.0323644 -0.0528787 -0.0807885 -0.060304 -0.0996046 0.0029689 -0.0707637 -0.0544603 -0.043712 0.0238015 -0.0262233 -0.0474547 -0.0661399 0.0252642 -0.0488085 0.0271632 -0.007158 -0.0024591 -0.0677578 0.0075375 -0.0062265 0.050444 -0.0071653 0.0293971 -0.0141532 0.0099342 0.0297357 -0.0237619 -0.0331133 0.0258052 0.0672211 -0.0053123 0.0382174 0.00333 0.0142891 -0.0079433 0.0633654 0.0004067 -0.0596809 -0.078153 -0.0601434 -0.0631542 -0.0921344 -0.0446345 -0.0711938 0.0077131 -0.2091421 -0.1102672 -0.1389919 -0.1177667 -0.2528356 -0.0980548 -0.1042838 -0.0828431 -0.2777745 497.9900622|24.5857652|284.7285397|-32.0975235|74.8628059|229.1595466 0.000000811 0.000000437 -0.000000194 -0.000000335 0.000000479 0.000000085 0.000000622 0.000000474 0.000000364 0.000000512 0.000000054 0.000000429 0.000000313 0.000000446 0.000000368 0.000000784 0.000000832 -0.000000138 -0.000000681 0.000000633 -0.000000787 -0.000000018 -0.000000525 0.000000409 -0.000000001 0.000000102 0.000001054 -0.000000373 -0.000000602 0.000000188 -0.000000268 0.000000078 -0.000000335 0.000000482 -0.000000228 0.000000542 0.000000026 0.000000115 0.000000098 0.000001534 0.000000255 -0.000000573 -0.000000384 0.000000164 0.000000397 -0.000000756 0.000001323 -0.000000231 -0.000000313 0.000001046 0.000001216 -0.000000175 0.000000229 -0.000000455 -0.000000247 0.000000272 -0.000001365 -0.000001209 0.000001563 -0.000000227 0.000001065 0.000002210 -0.000000521 -0.000002171 -0.000000761 -0.000001023 -0.000000414 0.000001468 0.000000017 -0.000000699 0.000001575 -0.000001153 -0.000000601 0.000001114 -0.000000884 0.000001862 -0.000000420 0.000001151 -0.000000036 0.000000019 0.000000786 0.000000614 0.000000127 0.000000406 0.000000016 0.000000003 0.000000874 0.000000405 0.000000817 0.000000755 0.000000533 -0.000000041 0.000001086 0.000000597 0.000000155 0.000001066 -0.000001294 -0.000000537 -0.000000694 0.000000190 -0.000001531 -0.000001461 -0.000000271 -0.000001312 -0.000000232 -0.000000316 -0.000001586 -0.000000586 0.000000097 -0.000001582 0.000000172 -0.000000460 -0.000000996 0.000000595 0.000000060 -0.000001054 -0.000000674 0.000000027 -0.000000545 -0.000000348 0.000000183 -0.000001004 -0.000000082 0.000000336 -0.000001017 0.000000419 0.000000181 -0.000000478 -0.000000507 0.000000059 -0.000000441 0.000000437 0.000000305 -0.000000799 0.000000344 -0.000000592 -0.000000531 -0.000000786 435.94896999999986 AuxInfo=1/0/N:10,6,8,20,27,19,28,21,26,4,5,16,15,1,17,18,3,22,29,14,2;34,38,42,33,46/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(15,16)(18,19);(1,2,3)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,18.2,19.2,21.1;/rA:46nC3O1BC3C3C3HC3HC3HHHNC3C3C3C3C3C3C3N2HHHC3C3C3N2HHHCCHHHCHHHCHHHI/rB:s1;;;;s4;s4;s5;s5;s6s8;s6;s8;s10;s3s4s5;s1;s1;s3s16;s3s15;s16;s19;s20;s17s21;s19;s20;s21;;s26;s15s27;s18s26;s28;s26;s27;;s33;s34;s34;s34;s33;s38;s38;s38;s33;s42;s42;s42;s33;/rC:-3.5166,.1336,-.1844;-4.6924,-.0022,.1164;-.5961,.4106,-.8282;1.585,-.6156,-1.5087;1.6156,1.5939,-.7216;2.9554,-.5997,-1.6638;.9683,-1.4693,-1.7877;2.9867,1.6462,-.8611;1.0258,2.4211,-.324;3.6925,.5403,-1.3388;3.4403,-1.5002,-2.0426;3.4971,2.5712,-.5899;4.7771,.5662,-1.4541;.8888,.4703,-1.0356;-2.7304,1.2855,.3254;-2.8434,-.8357,-1.0832;-1.4668,-.7562,-1.4137;-1.3583,1.4854,.0223;-3.6288,-1.8702,-1.6045;-3.0547,-2.8041,-2.4484;-1.6927,-2.6608,-2.7325;-.9387,-1.6934,-2.2414;-4.6833,-1.9068,-1.3235;-3.6313,-3.625,-2.8774;-1.1919,-3.3774,-3.3943;-1.3897,3.4478,1.2805;-2.7353,3.3062,1.6322;-3.4072,2.2022,1.1373;-.7365,2.5866,.5202;-4.4602,2.0129,1.3559;-.8153,4.3096,1.6403;-3.2277,4.0441,2.2674;1.3213,-.8366,2.9962;1.4615,-1.432,4.3924;.4952,-1.476,4.9143;1.8894,-2.4442,4.364;2.139,-.7908,4.9824;2.6581,-.8099,2.2646;3.1109,-1.8096,2.2021;2.5571,-.4083,1.2472;3.3508,-.1539,2.8199;.6886,.5485,3.0404;.5865,.9898,2.04;-.3042,.5322,3.5121;1.3392,1.2118,3.6366;-.0382,-2.1594,1.8482; Gaussian 16 23-Jul-2024 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 132 C1[X(C20H20BIN3O)] UwB97XD def2TZVPP SP #p wB97xD/def2TZVPP guess=read geom=allcheck SCF=(XQC) gfprint gfinput 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 435.94896999999986 AuxInfo=1/0/N:10,6,8,20,27,19,28,21,26,4,5,16,15,1,17,18,3,22,29,14,2;34,38,42,33,46/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(15,16)(18,19);(1,2,3)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,18.2,19.2,21.1;/rA:46nC3O1BC3C3C3HC3HC3HHHNC3C3C3C3C3C3C3N2HHHC3C3C3N2HHHCCHHHCHHHCHHHI/rB:s1;;;;s4;s4;s5;s5;s6s8;s6;s8;s10;s3s4s5;s1;s1;s3s16;s3s15;s16;s19;s20;s17s21;s19;s20;s21;;s26;s15s27;s18s26;s28;s26;s27;;s33;s34;s34;s34;s33;s38;s38;s38;s33;s42;s42;s42;s33;/rC:-3.5166,.1336,-.1844;-4.6924,-.0022,.1164;-.5961,.4106,-.8282;1.585,-.6156,-1.5087;1.6156,1.5939,-.7216;2.9554,-.5997,-1.6638;.9683,-1.4693,-1.7877;2.9867,1.6462,-.8611;1.0258,2.4211,-.324;3.6925,.5403,-1.3388;3.4403,-1.5002,-2.0426;3.4971,2.5712,-.5899;4.7771,.5662,-1.4541;.8888,.4703,-1.0356;-2.7304,1.2855,.3254;-2.8434,-.8357,-1.0832;-1.4668,-.7562,-1.4137;-1.3583,1.4854,.0223;-3.6288,-1.8702,-1.6045;-3.0547,-2.8041,-2.4484;-1.6927,-2.6608,-2.7325;-.9387,-1.6934,-2.2414;-4.6833,-1.9068,-1.3235;-3.6313,-3.625,-2.8774;-1.1919,-3.3774,-3.3943;-1.3897,3.4478,1.2805;-2.7353,3.3062,1.6322;-3.4072,2.2022,1.1373;-.7365,2.5866,.5202;-4.4602,2.0129,1.3559;-.8153,4.3096,1.6403;-3.2277,4.0441,2.2674;1.3213,-.8366,2.9962;1.4615,-1.432,4.3924;.4952,-1.476,4.9143;1.8894,-2.4442,4.364;2.139,-.7908,4.9824;2.6581,-.8099,2.2646;3.1109,-1.8096,2.2021;2.5571,-.4083,1.2472;3.3508,-.1539,2.8199;.6886,.5485,3.0404;.5865,.9898,2.04;-.3042,.5322,3.5121;1.3392,1.2118,3.6366;-.0382,-2.1594,1.8482; chk=17_adduct_tBuI.chk Mem=12000MB NProc=12 #p wB97xD/def2TZVPP guess=read geom=allcheck SCF=(XQC) gfprint gfinput 1/29=7,38=1,172=1/1 2/12=2,40=1/2 3/5=44,7=202,11=2,14=-4,24=110,25=1,30=1,74=-58,116=-2/1,2,3 4/5=1/1 5/5=2,8=3,13=1,38=6/2,8 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 coments 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 12 16 11 12 12 12 1 12 1 12 1 1 1 14 12 12 12 12 12 12 12 14 1 1 1 12 12 12 14 1 1 1 12 12 1 1 1 12 1 1 1 12 1 1 1 127 12.0000000 15.9949146 11.0093053 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 14.0030740 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 14.0030740 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 126.9004000 0 0 3 0 0 0 1 0 1 0 1 1 1 2 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 1 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 5 3.6000000 5.6000000 2.7500000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 4.5500000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 4.5500000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 5830.0000000 (Enter /usr/local/CompChem/Gaussian/g16/l101.exe) Structure from the checkpoint file: "17_adduct_tBuI.chk" def2TZVPP (5D, 7F) 0.10000e-02 0.10000e-05 F 1259 A 1105 A 1105 1724 1259 100 99 2590.7394425767 46 46 46 1.00e+00 60 F IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=121 Grimme-D2 -0.0428898917 0.000000 1.221292 0.000000 3.003398 4.224051 0.000000 5.323649 6.513340 2.504685 0.000000 5.362825 6.560515 2.510555 2.345648 0.000000 6.679262 7.874975 3.785763 1.379205 2.737609 0.000000 5.025371 6.150006 2.627228 1.089504 3.307349 2.172544 0.000000 6.711057 7.914630 3.789986 2.738508 1.379194 2.385173 3.826019 0.000000 5.087763 6.226092 2.631860 3.307183 1.090957 3.826662 4.157028 2.175796 0.000000 7.312267 8.527568 4.320866 2.409656 2.409310 1.395889 3.414844 1.396197 3.417411 0.000000 7.383729 8.546685 4.627962 2.123545 3.827206 1.090617 2.485212 3.391296 4.915207 2.173092 0.000000 7.436233 8.613295 4.634527 3.828258 2.124278 3.391328 4.914760 1.090752 2.490061 2.173403 4.323127 0.000000 8.401438 9.615680 5.411757 3.404240 3.404097 2.172981 4.331412 2.173353 4.334729 1.090976 2.530468 2.530868 0.000000 4.499470 5.718431 1.500499 1.373921 1.374479 2.410451 2.081848 2.411271 2.081029 2.820948 3.377378 3.378679 3.911923 0.000000 1.484899 2.356147 2.578990 5.059678 4.480883 6.311764 5.072917 5.850000 3.977437 6.676701 7.172417 6.424296 7.748916 3.951594 0.000000 1.483356 2.356412 2.582339 4.454236 5.090725 5.832535 3.927738 6.340217 5.114016 6.684058 6.391097 7.214648 7.757207 3.954352 2.548724 0.000000 2.550396 3.648922 1.569209 3.056517 3.937356 4.431997 2.564801 5.090199 4.182775 5.320245 5.002797 6.032422 6.382500 2.682545 2.964721 1.417949 0.000000 2.555015 3.652093 1.568279 3.927002 3.067458 5.079238 4.173711 4.436844 2.584496 5.315744 6.016956 5.012859 6.377159 2.683136 1.419236 2.968947 2.664337 0.000000 2.458563 2.753646 3.873286 5.363528 6.346894 6.705929 4.618240 7.528778 6.459140 7.712539 7.092295 8.457772 8.753171 5.119626 3.806611 1.399671 2.439637 4.365986 0.000000 3.737500 4.136571 4.359408 5.215371 6.643473 6.449547 4.289912 7.669620 6.961777 7.611946 6.637014 8.676058 8.583998 5.316877 4.952156 2.404862 2.790351 5.232778 1.383413 0.000000 4.198545 4.917612 3.776616 4.052718 5.752489 5.195723 3.064910 6.629426 6.246371 6.417996 5.307621 7.674569 7.342119 4.398612 5.099086 2.715794 2.327627 4.989186 2.376077 1.398659 0.000000 3.770180 4.744448 2.557609 2.840395 4.431728 4.085818 1.973055 5.335404 4.946162 5.220389 4.387757 6.371053 6.196455 3.078197 4.321105 2.388495 1.357280 3.924928 2.770103 2.398760 1.321244 0.000000 2.611850 2.387679 4.724479 6.402574 7.231338 7.757145 5.687489 8.465546 7.233461 8.725958 8.165416 9.354595 9.779112 6.064764 4.089411 2.142499 3.417273 4.936927 1.091875 2.173186 3.390739 3.861310 0.000000 4.625178 4.818065 5.449623 6.175816 7.708078 7.349193 5.195350 8.697653 8.047621 8.564829 7.430994 9.718033 9.502315 6.371469 5.931488 3.408916 3.880439 6.300092 2.167824 1.091064 2.169996 3.374314 2.544287 0.000000 5.294759 5.997595 4.613988 4.346752 6.303848 5.282989 3.299744 7.008094 6.925826 6.590186 5.177615 8.076915 7.412467 4.969642 6.159982 3.811726 3.296803 5.945387 3.378390 2.166476 1.096500 2.056491 4.317495 2.505918 0.000000 4.201625 4.915820 3.781663 5.756717 4.059222 6.628052 6.257200 5.194759 3.076267 6.414345 7.671637 5.305428 7.335621 4.406994 2.717575 5.103735 4.993850 2.331338 6.451240 7.467496 7.315160 6.248126 6.804414 8.505171 8.275046 0.000000 3.738485 4.131996 4.360566 6.626563 5.234783 7.648802 6.943992 6.458649 4.330872 7.602296 8.645431 6.657391 8.571444 5.319223 2.406509 4.953808 5.233580 2.793452 6.170139 7.354575 7.466167 6.574867 6.301298 8.317553 8.504061 1.398001 0.000000 2.457223 2.748267 3.869798 6.313765 5.390189 7.495303 6.417262 6.721996 4.672818 7.700634 8.408754 7.126631 8.739284 5.116332 1.399175 3.804831 4.361767 2.440277 4.914375 6.168004 6.446982 5.717033 4.956537 7.079829 7.521617 2.375400 1.383973 0.000000 3.773945 4.744908 2.563741 4.445198 2.838975 5.343433 4.968242 4.081007 1.961064 5.221078 6.380815 4.376711 6.195125 3.088827 2.388795 4.326840 3.930359 1.359138 5.722176 6.576210 6.247401 5.097604 6.258340 7.649056 7.148420 1.321535 2.397876 2.767941 0.000000 2.606712 2.377159 4.718981 7.187439 6.434769 8.422280 7.174756 7.778529 5.751927 8.711871 9.290222 8.210692 9.762999 6.058921 2.140895 4.083813 4.929432 3.417328 4.953206 6.296976 6.798366 6.251237 4.753229 7.098885 7.893152 3.390022 2.173494 1.091909 3.859184 0.000000 5.297757 5.995524 4.619949 6.319441 4.343156 7.016867 6.951903 5.273161 3.288584 6.588132 8.088695 5.156768 7.406972 4.980454 3.813416 6.164789 5.951000 3.299889 7.525679 8.505188 8.275203 7.149771 7.898714 9.555043 9.196723 1.096455 2.166456 3.378286 2.056631 4.317537 0.000000 4.624613 4.810868 5.450699 7.689834 6.196355 8.674640 8.027973 7.359093 5.238487 8.553997 9.683811 7.453580 9.487983 6.373956 3.410091 5.931774 6.300342 3.883535 7.080394 8.316647 8.503595 7.647697 7.101151 9.243761 9.553948 2.169705 1.091013 2.168430 3.373875 2.544700 2.506692 0.000000 5.870514 6.719716 4.456238 4.517977 4.451465 4.943840 4.838440 4.880201 4.660866 5.129357 5.506262 5.404323 5.806477 4.260324 5.296482 5.829723 5.217933 4.627717 6.836560 7.257027 6.725303 5.768366 7.473909 8.173278 7.321828 5.352531 5.956524 5.920238 4.699343 6.650999 5.734750 6.711648 0.000000 6.941181 7.628865 5.906256 5.958569 5.944113 6.292997 6.199872 6.277005 6.105805 6.458621 6.732651 6.707614 7.011951 5.780140 6.441849 6.990667 6.537749 5.963214 7.878224 8.311188 7.888155 7.059514 8.405614 9.143069 8.453205 6.451828 6.905308 6.892610 5.997907 7.493589 6.761976 7.516140 1.524333 0.000000 6.684476 7.218255 6.142234 6.571413 6.514824 7.077613 6.718758 7.022217 6.550503 7.306859 7.554653 7.462399 7.941203 6.272550 6.252060 6.893897 6.664172 6.011359 7.723864 8.281060 8.041431 7.301237 8.118584 9.075075 8.688742 6.403200 6.639116 6.559242 6.109855 7.027768 6.775663 7.164992 2.184203 1.099203 0.000000 7.520513 8.205257 6.425495 6.158329 6.499560 6.393193 6.296227 6.725857 6.811357 6.684326 6.658849 7.230471 7.159029 6.217026 7.180778 7.393122 6.891659 6.696218 8.148827 8.425147 7.952266 7.224504 8.708362 9.182055 8.399723 7.414620 7.868845 7.749539 6.854182 8.320545 7.768419 8.525195 2.185876 1.099294 1.784486 0.000000 7.715994 8.424273 6.533598 6.517097 6.204559 6.698938 6.904071 6.387858 6.301896 6.644050 7.179657 6.648160 7.087345 6.274583 7.050515 7.849686 7.342571 6.481863 8.821616 9.286880 8.814727 7.903873 9.356962 10.154129 9.378405 6.642406 7.195029 7.382662 6.291829 8.034972 6.775804 7.716779 2.148490 1.103786 1.782220 1.782897 0.000000 6.709264 7.700446 4.652408 3.927747 3.972689 3.945283 4.439786 3.988797 4.450223 3.984692 4.431747 4.503744 4.495890 3.957370 6.098057 6.440046 5.526957 5.140746 7.457849 7.669808 6.879443 5.832833 8.244542 8.597787 7.310081 5.956569 6.814019 6.865218 5.109040 7.711209 6.217957 7.629088 1.524031 2.519139 3.484646 2.769335 2.767005 0.000000 7.307240 8.277054 5.277748 4.186211 4.729473 4.053834 4.541531 4.619672 5.350521 4.289332 4.268681 5.209202 4.667837 4.540805 6.871875 6.869905 5.927839 5.965120 7.740705 7.786669 6.939038 6.013182 8.555028 8.634545 7.231292 6.981814 7.789453 7.727555 6.079362 8.523450 7.292180 8.628351 2.186294 2.767732 3.782823 2.562905 3.116562 1.099322 0.000000 6.263629 7.348440 3.862738 2.929662 2.961608 2.944353 3.586207 2.974928 3.580342 2.979302 3.576981 3.624278 3.629729 2.960812 5.628143 5.897343 4.836654 4.518494 6.966744 7.133772 6.242865 5.103228 7.827962 8.102895 6.664381 5.517954 6.477322 6.511537 4.510629 7.424020 5.812570 7.370770 2.183929 3.484339 4.340467 3.782247 3.777998 1.098482 1.783933 0.000000 7.501276 8.486748 5.404168 4.697599 4.313638 4.523086 5.351284 4.113689 4.681886 4.230020 5.046152 4.367348 4.562868 4.616889 6.728640 7.352958 6.441635 5.717424 8.440127 8.706843 7.908882 6.810755 9.207903 9.656984 8.345177 6.149320 7.100968 7.352081 5.431837 8.237043 6.218545 7.823339 2.148463 2.770518 3.780130 3.124995 2.559473 1.103832 1.783408 1.779845 0.000000 5.315628 6.148908 4.078741 4.780506 4.013103 5.346629 5.240328 4.659217 3.865234 5.310487 6.132329 5.015769 6.075928 4.081725 4.427685 5.603136 5.117368 3.765202 6.787216 7.441798 7.021213 5.964251 7.343656 8.432139 7.768810 3.977816 4.616482 4.809681 3.540741 5.611792 4.285834 5.306092 1.523412 2.519423 2.765373 3.485675 2.769197 2.515073 3.482949 2.760854 2.762066 0.000000 4.745171 5.705389 3.156053 4.020891 3.008341 4.675067 4.565599 3.822053 2.798207 4.611472 5.568783 4.229441 5.472584 3.133790 3.745527 4.985048 4.380948 2.845841 6.263508 6.913654 6.426434 5.277922 6.890129 7.954112 7.194910 3.244044 4.070204 4.270215 2.570970 5.194562 3.625696 4.891655 2.188664 3.487823 3.788208 4.346428 3.773441 2.753313 3.773065 2.542932 3.091525 1.098254 0.000000 4.913529 5.574294 4.351863 5.485951 4.768359 6.220685 5.806410 5.585394 4.478050 6.285377 7.000492 5.952637 7.105272 4.702054 4.075409 5.425423 5.222598 3.768048 6.557816 7.363749 7.149763 6.201564 6.964747 8.317354 7.985723 3.828694 4.139967 4.249384 3.655025 4.910516 4.246589 4.735933 2.186907 2.784089 2.576456 3.794365 3.143489 3.483212 4.343265 3.768546 3.782762 1.099352 1.780477 0.000000 6.272300 7.088452 4.931760 5.465745 4.383679 5.829962 6.062166 4.809678 4.153012 5.544756 6.634976 4.936390 6.176727 4.752132 5.247018 6.630428 6.103488 4.518249 7.851745 8.512475 8.047104 6.941227 8.402273 9.514917 8.769318 4.242398 5.000603 5.454931 3.988862 6.282973 4.268895 5.545543 2.146313 2.752454 3.093389 3.768081 2.541888 2.776513 3.784971 3.133282 2.564924 1.103938 1.779075 1.782742 0.000000 4.635575 5.414295 3.752273 4.035733 4.840010 4.871203 3.835308 5.565308 5.179899 5.600321 5.260474 6.389103 6.443700 4.011369 4.629676 4.267827 3.827511 4.284932 4.989756 5.289283 4.896116 4.213472 5.630262 6.114749 5.504391 5.795624 6.098687 5.556886 4.977525 6.099501 6.518820 6.987957 2.217133 3.041521 3.186293 3.182110 4.054190 3.043736 3.188202 3.188000 4.056006 3.046650 3.216303 3.175555 4.057148 0.000000 C20H20BIN3O(2) 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 0 435.94896999999986 AuxInfo=1/0/N:10,6,8,20,27,19,28,21,26,4,5,16,15,1,17,18,3,22,29,14,2;34,38,42,33,46/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(15,16)(18,19);(1,2,3)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,18.2,19.2,21.1;/rA:46nC3O1BC3C3C3HC3HC3HHHNC3C3C3C3C3C3C3N2HHHC3C3C3N2HHHCCHHHCHHHCHHHI/rB:s1;;;;s4;s4;s5;s5;s6s8;s6;s8;s10;s3s4s5;s1;s1;s3s16;s3s15;s16;s19;s20;s17s21;s19;s20;s21;;s26;s15s27;s18s26;s28;s26;s27;;s33;s34;s34;s34;s33;s38;s38;s38;s33;s42;s42;s42;s33;/rC:-3.1409,.5481,.4927;-4.0695,.7426,1.2618;-.7864,.0646,-1.308;1.0023,-1.4541,-2.1842;1.1533,.8274,-2.7076;2.1783,-1.7065,-2.8592;.4063,-2.2396,-1.7208;2.333,.6139,-3.3893;.7076,1.8155,-2.5843;2.8762,-.6691,-3.4799;2.5434,-2.7338,-2.8892;2.823,1.4715,-3.8521;3.8088,-.8538,-4.0151;.4678,-.1919,-2.0909;-2.3232,1.6801,-.0122;-2.8138,-.8207,.024;-1.7105,-1.1059,-.8197;-1.2237,1.5125,-.8937;-3.6463,-1.8577,.4606;-3.3896,-3.1554,.0557;-2.2861,-3.3609,-.7788;-1.4885,-2.392,-1.1922;-4.4821,-1.6046,1.116;-4.0142,-3.9922,.3718;-2.0403,-4.372,-1.1246;-.9116,3.8229,-.9073;-1.9724,4.0609,-.0284;-2.6848,2.9615,.4181;-.5553,2.6179,-1.3165;-3.531,3.0524,1.102;-.3212,4.661,-1.296;-2.2234,5.076,.2829;2.6454,.6145,1.4809;3.4039,.7724,2.7937;2.7482,1.1258,3.602;3.8724,-.1701,3.111;4.2029,1.5204,2.6511;3.5517,.0917,.3727;4.0276,-.8604,.6476;3.0031,-.0512,-.5681;4.3488,.8331,.19;1.9639,1.9134,1.0698;1.4175,1.8131,.1224;1.2608,2.2694,1.8362;2.739,2.6872,.9316;1.0602,-.8997,1.8128; 0.1824401 0.1453959 0.1407968 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 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Defaulting to unpruned grid for atomic number 53. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 1244 1238 1244 1244 1244 MxSgAt= 46 MxSgA2= 46. 1 open 1 1 1 -1335.82632428440 -1336.08367232320 -0.257348038795 -1336.34929067972 -0.265618356525 -1336.34966435554 -0.000373675824 -1336.34975717917 -0.000092823626 -1336.34977541902 -0.000018239852 -1336.34977636511 -0.000000946087 -1336.34977671430 -0.000000349195 -1336.34977682224 -0.000000107938 -1336.34977688371 -0.000000061471 -1336.34977692214 -0.000000038431 -1336.34977694127 -0.000000019122 -1336.34977694697 -0.000000005700 -1336.34977694826 -0.000000001290 -1336.34977694856 -0.000000000302 -1336.34977694872 -0.000000000157 -1336.34977695 16 0.7887 1.146449418639e+03 -8.227636712482e+03 3.154140964209e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1569667010 LenY= 1568080670 Requested convergence on RMS density matrix=1.00D-08 within 32 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. 0.7887 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 C O B C C C H C H C H H H N C C C C C C C N H H H C C C N H H H C C H H H C H H H C H H H I 13 17 11 13 13 13 1 13 1 13 1 1 1 14 13 13 13 13 13 13 13 14 1 1 1 13 13 13 14 1 1 1 13 13 1 1 1 13 1 1 1 13 1 1 1 127 -0.00934 0.01290 0.01270 0.01355 0.01380 -0.01474 -0.00285 -0.01471 -0.00283 0.01516 0.00124 0.00124 -0.00340 -0.03561 0.00463 0.00432 -0.02118 -0.02215 -0.00659 0.00565 -0.00656 0.00542 0.00060 -0.00119 0.00062 -0.00705 0.00616 -0.00718 0.00680 0.00064 0.00066 -0.00130 -0.00004 0.00007 -0.00000 0.00001 -0.00001 0.00007 -0.00001 -0.00000 0.00001 0.00012 0.00001 -0.00000 -0.00001 0.00001 -10.49759 -7.82027 18.21501 15.23390 15.50825 -16.56855 -12.74552 -16.53784 -12.65137 17.04714 5.52612 5.52977 -15.18733 -11.50429 5.20926 4.85242 -23.81363 -24.90327 -7.40558 6.35142 -7.36984 1.75278 2.65993 -5.31390 2.76889 -7.92705 6.92045 -8.06806 2.19620 2.86092 2.93687 -5.81800 -0.04987 0.07779 -0.00068 0.03918 -0.03614 0.07450 -0.02297 -0.00092 0.06235 0.13058 0.04860 -0.00281 -0.04219 0.00645 -3.74580 -2.79047 6.49957 5.43583 5.53373 -5.91207 -4.54792 -5.90111 -4.51432 6.08284 1.97186 1.97316 -5.41922 -4.10502 1.85879 1.73147 -8.49730 -8.88610 -2.64250 2.26635 -2.62974 0.62544 0.94913 -1.89613 0.98801 -2.82857 2.46939 -2.87889 0.78366 1.02085 1.04795 -2.07601 -0.01780 0.02776 -0.00024 0.01398 -0.01289 0.02658 -0.00819 -0.00033 0.02225 0.04660 0.01734 -0.00100 -0.01505 0.00230 -3.50162 -2.60856 6.07587 5.08148 5.17299 -5.52667 -4.25145 -5.51643 -4.22004 5.68631 1.84331 1.84453 -5.06595 -3.83742 1.73762 1.61859 -7.94337 -8.30684 -2.47024 2.11861 -2.45831 0.58467 0.88726 -1.77253 0.92360 -2.64418 2.30841 -2.69122 0.73257 0.95430 0.97963 -1.94068 -0.01664 0.02595 -0.00023 0.01307 -0.01205 0.02485 -0.00766 -0.00031 0.02080 0.04356 0.01621 -0.00094 -0.01407 0.00215 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 0.005014 0.035794 -0.020449 -0.026274 -0.011307 0.014103 -0.002219 0.011070 -0.004002 -0.022796 0.002987 0.002337 0.012407 0.008596 0.007891 0.006261 0.005947 -0.002461 -0.001974 -0.000160 0.000407 0.007426 -0.001525 -0.000183 0.000988 -0.005701 0.008444 -0.005814 -0.003590 -0.002524 -0.000857 -0.003488 0.000427 0.000158 -0.000023 0.000229 0.000232 0.001244 0.000822 0.002163 0.000905 0.000108 0.000391 -0.000261 0.000277 0.000156 -0.003650 -0.206520 -0.121927 -0.094818 -0.095473 0.040769 0.002453 0.043406 0.008383 -0.121195 -0.002291 -0.000323 -0.016040 0.064353 -0.049092 -0.044378 0.014387 0.012918 0.025509 -0.040995 0.023972 -0.059075 0.003968 0.001509 -0.000013 0.029106 -0.044761 0.028705 -0.068966 0.005110 0.001813 0.005242 -0.001224 -0.000460 -0.000415 -0.000480 -0.000372 -0.001612 -0.000982 -0.002382 -0.000805 -0.000842 -0.000446 -0.000374 -0.000188 -0.002555 -0.001365 0.170726 0.142376 0.121092 0.106780 -0.054872 -0.000234 -0.054476 -0.004382 0.143991 -0.000697 -0.002014 0.003633 -0.072949 0.041201 0.038117 -0.020334 -0.010457 -0.023534 0.041156 -0.024380 0.051649 -0.002443 -0.001326 -0.000974 -0.023405 0.036318 -0.022891 0.072556 -0.002585 -0.000956 -0.001753 0.000798 0.000302 0.000438 0.000251 0.000140 0.000368 0.000160 0.000219 -0.000100 0.000734 0.000055 0.000635 -0.000088 0.002399 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 -0.001788 -0.047287 -0.014615 0.032008 0.028662 -0.009544 0.008359 -0.016165 -0.006672 0.029271 0.001281 -0.003536 -0.003495 -0.008999 -0.010193 -0.009997 0.002942 0.004274 0.007139 -0.007687 0.008782 -0.017410 0.002404 0.005102 0.002306 0.001183 -0.009438 0.004750 -0.006986 0.000235 -0.002066 -0.003172 0.000031 0.000153 0.000154 0.000028 0.000215 0.000151 -0.000284 0.000141 0.000408 0.001068 0.002383 0.000649 0.000886 -0.001385 -0.009585 0.311846 0.166344 0.132290 0.140427 -0.065754 -0.002608 -0.065241 0.001682 0.161439 -0.004284 -0.002954 -0.006471 -0.079543 0.074096 0.066113 -0.016052 -0.019228 -0.032960 0.061401 -0.037244 0.095877 -0.000282 0.000933 -0.001705 -0.040581 0.071119 -0.036662 0.104394 -0.000016 -0.001186 0.002497 0.001338 0.000694 0.000616 0.000637 0.000562 0.001642 0.001002 0.001707 0.000875 0.001639 0.002004 0.001000 0.000829 0.003457 0.001898 -0.058714 -0.023453 0.051682 0.046773 -0.020475 -0.005762 -0.016817 0.002873 0.051390 -0.000961 0.001531 0.005325 -0.017874 -0.010283 -0.015350 0.009504 0.000103 0.007453 -0.015233 0.006286 -0.025269 -0.000621 -0.003378 -0.001293 0.007283 -0.008458 0.005342 -0.009517 0.000669 0.001995 0.003163 0.000305 0.000127 0.000252 0.000007 0.000226 0.000272 -0.000215 0.000466 0.000372 0.001239 0.002074 0.001223 0.000825 -0.001355 0.5696 -0.1125 0.8142 0.1941 0.981 -3.0E-4 0.7987 -0.1582 -0.5806 -0.0083 -0.004 0.0123 -1.118 -0.537 1.655 -0.399 -0.192 0.591 -0.373 -0.179 0.552 1 C 13 0.7553 -0.1645 -0.6344 0.2016 0.9794 -0.0139 0.6236 -0.1174 0.7729 -0.2158 -0.2154 0.4312 15.616 15.588 -31.204 5.572 5.562 -11.134 5.209 5.2 -10.408 2 O 17 0.8443 -0.0624 -0.5323 0.0924 0.9953 0.0299 0.5279 -0.0744 0.8461 -0.1242 -0.124 0.2482 -21.271 -21.229 42.5 -7.59 -7.575 15.165 -7.095 -7.081 14.176 3 B 11 -0.4133 0.91 0.0335 0.7625 0.366 -0.5335 0.4977 0.195 0.8452 -0.1075 -0.1035 0.2109 -14.419 -13.883 28.303 -5.145 -4.954 10.099 -4.81 -4.631 9.441 4 C 13 0.4594 0.7555 -0.4671 0.7024 -0.6309 -0.3296 0.5437 0.1767 0.8205 -0.107 -0.1029 0.2099 -14.354 -13.815 28.168 -5.122 -4.929 10.051 -4.788 -4.608 9.396 5 C 13 0.5086 0.1595 0.8461 -0.2793 0.9601 -0.0131 0.8144 0.2296 -0.5329 -0.0983 0.0438 0.0544 -13.186 5.881 7.305 -4.705 2.098 2.607 -4.398 1.962 2.437 6 C 13 0.7318 -0.6479 -0.2114 0.4483 0.224 0.8653 0.5133 0.728 -0.4544 -0.0089 -0.0031 0.0119 -4.731 -1.641 6.373 -1.688 -0.586 2.274 -1.578 -0.548 2.126 7 H 1 0.5227 0.1589 0.8376 0.3952 0.8253 -0.4033 0.7554 -0.5418 -0.3686 -0.0984 0.0439 0.0545 -13.202 5.889 7.314 -4.711 2.101 2.61 -4.404 1.964 2.44 8 C 13 0.7439 0.3831 -0.5476 0.5499 0.1149 0.8273 -0.3799 0.9165 0.1252 -0.0087 -0.0029 0.0115 -4.629 -1.529 6.158 -1.652 -0.545 2.197 -1.544 -0.51 2.054 9 H 1 0.067 0.9729 -0.2213 0.8557 -0.1701 -0.4887 0.5131 0.1566 0.8439 -0.1309 -0.1208 0.2517 -17.561 -16.211 33.772 -6.266 -5.785 12.051 -5.858 -5.408 11.265 10 C 13 0.5326 0.1014 0.8403 -0.212 0.9771 0.0165 0.8194 0.1869 -0.5419 -0.0035 -0.0026 0.0061 -1.882 -1.379 3.261 -0.672 -0.492 1.164 -0.628 -0.46 1.088 11 H 1 0.5268 0.1836 0.83 0.3562 0.8388 -0.4116 0.7718 -0.5125 -0.3765 -0.0035 -0.0026 0.0061 -1.894 -1.375 3.269 -0.676 -0.491 1.166 -0.632 -0.459 1.09 12 H 1 0.0649 0.9722 -0.225 0.5139 0.1607 0.8427 0.8554 -0.1703 -0.4891 -0.0175 7.0E-4 0.0168 -9.34 0.375 8.965 -3.333 0.134 3.199 -3.116 0.125 2.991 13 H 1 0.5177 0.1055 0.849 0.8508 -0.1677 -0.498 0.0898 0.9802 -0.1766 -0.1237 0.0569 0.0667 -4.77 2.196 2.574 -1.702 0.783 0.919 -1.591 0.732 0.859 14 N 14 0.6625 0.5922 -0.4587 -0.4164 0.8002 0.4316 0.6227 -0.0949 0.7767 -0.0525 -0.0493 0.1019 -7.049 -6.62 13.669 -2.515 -2.362 4.878 -2.351 -2.208 4.56 15 C 13 -0.4027 0.7965 0.4511 0.6805 0.5901 -0.4344 0.6121 -0.132 0.7797 -0.048 -0.0446 0.0926 -6.443 -5.986 12.429 -2.299 -2.136 4.435 -2.149 -1.997 4.146 16 C 13 0.4117 -0.2163 0.8853 0.8787 0.3518 -0.3226 -0.2417 0.9107 0.3349 -0.0301 0.013 0.0171 -4.042 1.747 2.295 -1.442 0.623 0.819 -1.348 0.583 0.765 17 C 13 0.634 -0.0711 0.7701 -0.5111 0.7087 0.4863 0.5803 0.7019 -0.4129 -0.0263 0.0099 0.0164 -3.529 1.329 2.199 -1.259 0.474 0.785 -1.177 0.443 0.734 18 C 13 0.5837 -0.1363 0.8004 0.7619 -0.2489 -0.598 0.2807 0.9589 -0.0415 -0.0488 0.0216 0.0273 -6.554 2.894 3.66 -2.339 1.032 1.306 -2.186 0.965 1.221 19 C 13 -0.5826 0.6268 0.5174 0.5729 0.7683 -0.2855 0.5765 -0.1301 0.8067 -0.0464 -0.0411 0.0875 -6.23 -5.511 11.741 -2.223 -1.966 4.189 -2.078 -1.838 3.916 20 C 13 0.5844 -0.1327 0.8006 -0.4255 0.7899 0.4416 0.691 0.5987 -0.4051 -0.0526 0.0228 0.0299 -7.06 3.054 4.006 -2.519 1.09 1.429 -2.355 1.019 1.336 21 C 13 0.7016 -0.341 -0.6257 0.3625 0.9268 -0.0987 0.6135 -0.1576 0.7738 -0.0696 -0.0632 0.1328 -2.685 -2.437 5.122 -0.958 -0.87 1.828 -0.896 -0.813 1.709 22 N 14 0.4201 -0.0691 0.9048 0.8369 -0.3561 -0.4157 0.3509 0.9319 -0.0918 -0.0025 -0.0024 0.0049 -1.348 -1.285 2.633 -0.481 -0.458 0.939 -0.45 -0.428 0.878 23 H 1 -0.5903 0.6125 0.5258 0.5762 -0.1364 0.8058 0.5653 0.7786 -0.2724 -0.0063 -1.0E-4 0.0064 -3.366 -0.046 3.412 -1.201 -0.017 1.218 -1.123 -0.015 1.138 24 H 1 0.5983 -0.1914 0.7781 -0.3647 0.7995 0.4772 0.7134 0.5693 -0.4085 -0.002 -0.0018 0.0038 -1.05 -0.98 2.03 -0.375 -0.35 0.724 -0.35 -0.327 0.677 25 H 1 0.6229 -0.0748 0.7787 0.6654 0.574 -0.4772 -0.4112 0.8155 0.4073 -0.0566 0.0244 0.0321 -7.591 3.277 4.314 -2.709 1.169 1.539 -2.532 1.093 1.439 26 C 13 0.7401 0.358 -0.5693 -0.2245 0.9295 0.2925 0.6339 -0.0887 0.7683 -0.0508 -0.0451 0.096 -6.82 -6.058 12.878 -2.434 -2.162 4.595 -2.275 -2.021 4.296 27 C 13 0.6197 -0.0874 0.7799 0.7777 -0.065 -0.6253 0.1054 0.994 0.0277 -0.0526 0.0233 0.0294 -7.061 3.122 3.94 -2.52 1.114 1.406 -2.355 1.041 1.314 28 C 13 0.8199 0.038 -0.5712 2.0E-4 0.9978 0.0666 0.5725 -0.0548 0.8181 -0.0766 -0.0696 0.1462 -2.956 -2.684 5.641 -1.055 -0.958 2.013 -0.986 -0.895 1.881 29 N 14 0.2814 -0.0908 0.9553 0.9591 -0.0047 -0.283 0.0302 0.9959 0.0858 -0.0027 -0.0025 0.0052 -1.416 -1.345 2.761 -0.505 -0.48 0.985 -0.472 -0.449 0.921 30 H 1 0.6721 -0.0225 0.7401 0.5965 0.6087 -0.5232 -0.4388 0.7931 0.4225 -0.0021 -0.0019 0.004 -1.117 -1.027 2.144 -0.399 -0.366 0.765 -0.373 -0.343 0.715 31 H 1 0.7432 0.3441 -0.5738 0.6325 -0.0816 0.7703 -0.2182 0.9354 0.2783 -0.0069 -0.0 0.0069 -3.673 -0.02 3.694 -1.311 -0.007 1.318 -1.225 -0.007 1.232 32 H 1 0.1785 0.9511 -0.2522 0.7378 -0.299 -0.6052 0.651 0.078 0.7551 -0.0013 -7.0E-4 0.002 -0.174 -0.092 0.266 -0.062 -0.033 0.095 -0.058 -0.031 0.089 33 C 13 -0.5069 0.805 0.3083 -0.5482 -0.577 0.6054 0.6653 0.1378 0.7338 -5.0E-4 -4.0E-4 0.001 -0.068 -0.06 0.128 -0.024 -0.021 0.046 -0.023 -0.02 0.043 34 C 13 0.2246 0.892 -0.3924 0.8014 -0.3981 -0.4464 0.5544 0.2142 0.8042 -5.0E-4 -4.0E-4 9.0E-4 -0.26 -0.236 0.496 -0.093 -0.084 0.177 -0.087 -0.079 0.165 35 H 1 -0.1354 0.9848 0.1087 0.7001 0.1727 -0.6929 0.7011 0.0177 0.7128 -5.0E-4 -4.0E-4 9.0E-4 -0.257 -0.21 0.468 -0.092 -0.075 0.167 -0.086 -0.07 0.156 36 H 1 -0.0112 0.9387 -0.3446 0.7053 -0.2368 -0.6682 0.7088 0.2505 0.6594 -5.0E-4 -4.0E-4 8.0E-4 -0.244 -0.199 0.443 -0.087 -0.071 0.158 -0.082 -0.066 0.148 37 H 1 0.044 0.9848 -0.1682 -0.6121 0.1596 0.7745 0.7896 0.0689 0.6098 -0.0017 -9.0E-4 0.0025 -0.222 -0.117 0.339 -0.079 -0.042 0.121 -0.074 -0.039 0.113 38 C 13 0.101 0.9905 0.0936 -0.588 -0.0165 0.8087 0.8025 -0.1367 0.5807 -0.001 -6.0E-4 0.0016 -0.55 -0.301 0.851 -0.196 -0.107 0.304 -0.184 -0.1 0.284 39 H 1 0.0427 0.9795 -0.197 -0.5086 0.1911 0.8396 0.86 0.0643 0.5063 -0.0025 -7.0E-4 0.0032 -1.318 -0.378 1.696 -0.47 -0.135 0.605 -0.44 -0.126 0.566 40 H 1 -0.0307 0.9293 -0.3681 -0.5462 0.2928 0.7848 0.8371 0.2251 0.4986 -0.001 -6.0E-4 0.0015 -0.515 -0.304 0.82 -0.184 -0.109 0.292 -0.172 -0.101 0.273 41 H 1 -0.3306 0.9092 -0.253 0.741 0.084 -0.6663 0.5845 0.4077 0.7015 -0.0016 -0.0012 0.0028 -0.211 -0.167 0.378 -0.075 -0.06 0.135 -0.07 -0.056 0.126 42 C 13 -0.4684 0.8304 -0.3017 -0.6305 -0.0749 0.7726 0.619 0.552 0.5587 -0.0025 -0.0018 0.0043 -1.357 -0.951 2.308 -0.484 -0.339 0.823 -0.453 -0.317 0.77 43 H 1 0.0435 0.8192 -0.5718 0.8887 -0.2932 -0.3524 0.4563 0.4929 0.7408 -0.0012 -9.0E-4 0.0021 -0.637 -0.465 1.101 -0.227 -0.166 0.393 -0.212 -0.155 0.367 44 H 1 -0.1976 0.8045 -0.5602 0.7378 -0.2542 -0.6253 0.6454 0.5369 0.5433 -0.001 -7.0E-4 0.0017 -0.523 -0.39 0.913 -0.187 -0.139 0.326 -0.174 -0.13 0.305 45 H 1 PT24532.400S 2024-07-24T00:08:18.000 -19.22055 -14.51745 -14.43111 -14.42769 -10.36179 -10.35066 -10.34052 -10.34021 -10.32711 -10.32519 -10.32406 -10.31667 -10.31568 -10.31231 -10.30996 -10.30304 -10.30096 -10.29605 -10.29502 -10.29353 -10.29291 -10.28698 -10.28673 -10.28201 -6.93685 -6.84344 -4.95595 -4.94529 -4.94526 -1.99030 -1.98716 -1.98713 -1.97795 -1.97795 -1.13181 -1.09372 -1.04320 -1.04021 -0.93686 -0.92926 -0.91063 -0.90294 -0.88724 -0.87992 -0.85231 -0.79604 -0.79335 -0.77046 -0.76500 -0.75964 -0.75561 -0.73226 -0.72606 -0.70150 -0.67551 -0.64261 -0.63546 -0.61783 -0.61266 -0.59696 -0.58962 -0.58056 -0.56499 -0.56192 -0.55212 -0.54839 -0.54402 -0.53729 -0.53633 -0.52939 -0.52499 -0.51550 -0.50595 -0.49210 -0.49079 -0.48365 -0.48120 -0.47971 -0.47755 -0.46849 -0.46718 -0.46066 -0.45629 -0.45518 -0.43158 -0.43096 -0.42051 -0.41330 -0.37590 -0.37391 -0.36814 -0.36568 -0.35911 -0.34393 -0.33248 -0.33168 -0.32190 -0.32110 -0.31898 -0.21185 -0.02658 0.00392 0.02955 0.03362 0.04135 0.05115 0.09733 0.11524 0.12010 0.12727 0.13148 0.13436 0.14145 0.14860 0.15089 0.15412 0.15551 0.16069 0.16378 0.16769 0.17237 0.17602 0.17627 0.18532 0.19117 0.19439 0.19749 0.20228 0.20599 0.20925 0.21219 0.21460 0.21755 0.21996 0.22113 0.22573 0.22870 0.23821 0.24348 0.24741 0.25252 0.25621 0.25860 0.26544 0.27154 0.27439 0.27713 0.27852 0.28768 0.29077 0.29259 0.29645 0.29843 0.30173 0.30477 0.31055 0.31357 0.32195 0.32337 0.32479 0.32914 0.33249 0.33596 0.34046 0.34443 0.34640 0.34861 0.35285 0.35567 0.36126 0.36315 0.37200 0.37535 0.37861 0.38115 0.38384 0.39448 0.39852 0.40141 0.40497 0.40911 0.41380 0.41738 0.41891 0.42131 0.43131 0.43609 0.43943 0.44337 0.44433 0.44883 0.45130 0.45153 0.45852 0.46355 0.46851 0.47379 0.47662 0.47860 0.48101 0.48737 0.49074 0.49221 0.49290 0.49507 0.49913 0.50446 0.50702 0.50820 0.51220 0.51411 0.51546 0.52072 0.52307 0.52453 0.52656 0.52920 0.53550 0.53917 0.54119 0.54562 0.55057 0.55184 0.55264 0.55982 0.56243 0.56677 0.57190 0.57499 0.58082 0.58262 0.58563 0.59170 0.59334 0.59626 0.60460 0.60517 0.61522 0.61829 0.62033 0.62669 0.62791 0.63309 0.64086 0.64260 0.65712 0.65959 0.66098 0.67282 0.68040 0.68493 0.68874 0.70173 0.70952 0.71249 0.72049 0.72373 0.72709 0.73076 0.73667 0.73848 0.74463 0.74742 0.74885 0.74948 0.75096 0.75647 0.76118 0.76442 0.76568 0.77052 0.77467 0.77865 0.78336 0.79174 0.79419 0.79767 0.80625 0.80955 0.81265 0.82047 0.82557 0.82653 0.83403 0.84099 0.84396 0.84559 0.84830 0.85048 0.85916 0.86445 0.86726 0.87082 0.87482 0.87676 0.88377 0.88864 0.89668 0.90342 0.90806 0.90920 0.91570 0.91871 0.92488 0.92907 0.93261 0.93411 0.93693 0.94947 0.95690 0.96077 0.96161 0.97135 0.97371 0.97982 0.98266 0.98363 0.99196 0.99848 1.00248 1.00597 1.01049 1.01313 1.02137 1.02697 1.02901 1.03092 1.03456 1.04040 1.04844 1.05483 1.05739 1.06979 1.07219 1.07303 1.07979 1.08395 1.08776 1.10008 1.10784 1.10836 1.11108 1.11729 1.12500 1.12780 1.13267 1.14029 1.14243 1.14688 1.15187 1.15518 1.15862 1.17301 1.17720 1.18022 1.18502 1.19026 1.19652 1.20119 1.20694 1.21431 1.21966 1.22415 1.22831 1.22922 1.23758 1.23812 1.24099 1.24593 1.25100 1.25856 1.26283 1.26820 1.27322 1.27823 1.28146 1.28459 1.28897 1.29188 1.29393 1.29992 1.30767 1.31752 1.32186 1.32705 1.33173 1.33673 1.34321 1.34860 1.36000 1.36253 1.36582 1.37010 1.37311 1.38180 1.38703 1.39348 1.39563 1.39948 1.40546 1.41006 1.41508 1.41865 1.42144 1.43152 1.43668 1.44197 1.44419 1.44842 1.45411 1.45649 1.45947 1.46824 1.46913 1.47428 1.48221 1.48782 1.48894 1.49284 1.49585 1.49926 1.50423 1.51034 1.51704 1.52320 1.53212 1.53753 1.53869 1.53911 1.54788 1.55590 1.55658 1.56504 1.56664 1.57143 1.57913 1.57959 1.58133 1.58873 1.59159 1.60763 1.61564 1.61863 1.62076 1.62835 1.63109 1.63756 1.63921 1.64979 1.65416 1.65785 1.66775 1.67035 1.67701 1.68047 1.68295 1.70067 1.70200 1.70432 1.71032 1.71431 1.71785 1.73127 1.73396 1.73994 1.74436 1.74695 1.75269 1.75443 1.76405 1.76607 1.76871 1.77808 1.78324 1.78688 1.79203 1.79483 1.79952 1.80334 1.81672 1.82046 1.82822 1.83028 1.84230 1.84642 1.85526 1.86125 1.87421 1.87794 1.88552 1.89314 1.90234 1.90815 1.91643 1.91855 1.92647 1.92959 1.93950 1.94700 1.94913 1.96630 1.97454 1.97877 1.98252 1.99687 2.01158 2.01939 2.02512 2.03053 2.03583 2.03869 2.04230 2.04949 2.06584 2.07109 2.08224 2.08728 2.09980 2.10082 2.10903 2.12370 2.13041 2.15481 2.15939 2.16592 2.17170 2.18846 2.19193 2.19960 2.21483 2.22571 2.22771 2.23959 2.25041 2.25638 2.27191 2.28432 2.28687 2.29669 2.30414 2.31237 2.32496 2.32650 2.33299 2.35186 2.35867 2.37033 2.37142 2.38503 2.38841 2.39260 2.41126 2.42018 2.43453 2.43718 2.45033 2.45603 2.46163 2.48000 2.48379 2.48722 2.49788 2.50022 2.51384 2.52114 2.52560 2.53307 2.54048 2.54784 2.55760 2.56307 2.57445 2.57911 2.58313 2.58800 2.61225 2.61847 2.62810 2.63901 2.65962 2.66841 2.67347 2.68982 2.69417 2.70553 2.72078 2.73531 2.74362 2.75112 2.75693 2.75729 2.77079 2.77565 2.78137 2.78453 2.78997 2.79210 2.79482 2.79973 2.80533 2.81505 2.81872 2.82225 2.82911 2.83538 2.84130 2.84869 2.86056 2.86292 2.86580 2.87359 2.87796 2.88198 2.88663 2.89122 2.89538 2.90435 2.91476 2.91869 2.92377 2.92906 2.93795 2.94121 2.94982 2.95411 2.96609 2.96936 2.97060 2.97592 2.97783 2.98580 2.98923 2.99410 2.99737 3.00293 3.00985 3.01506 3.03191 3.03620 3.04050 3.04252 3.04541 3.05108 3.05333 3.06186 3.06453 3.07267 3.07535 3.07832 3.08581 3.08827 3.09033 3.09269 3.09974 3.10575 3.10800 3.12075 3.12462 3.12605 3.12983 3.13566 3.14380 3.14808 3.15066 3.15461 3.15875 3.16511 3.17183 3.17576 3.17944 3.18387 3.18956 3.19367 3.19894 3.20082 3.20243 3.20642 3.20805 3.21434 3.21805 3.22272 3.22668 3.23165 3.23514 3.23832 3.24152 3.24747 3.25466 3.25804 3.26143 3.26626 3.27011 3.27214 3.28255 3.28311 3.28956 3.29481 3.29717 3.30051 3.30825 3.31026 3.31686 3.32347 3.32701 3.33744 3.34026 3.34569 3.35013 3.35879 3.36166 3.36400 3.37091 3.37360 3.37590 3.37918 3.38930 3.39637 3.40116 3.40844 3.41660 3.41749 3.42019 3.42496 3.43092 3.43418 3.43512 3.43724 3.44142 3.44689 3.45000 3.45653 3.46005 3.46470 3.47224 3.48355 3.49033 3.49551 3.49602 3.50146 3.50423 3.50546 3.51190 3.51421 3.51836 3.52219 3.52842 3.53158 3.53400 3.53763 3.54371 3.54836 3.55945 3.56381 3.57202 3.57761 3.58198 3.58696 3.58937 3.59361 3.59852 3.60534 3.61150 3.61421 3.62175 3.62794 3.63409 3.64096 3.64389 3.65260 3.65531 3.66183 3.66545 3.67366 3.67798 3.68353 3.68963 3.69326 3.69673 3.70305 3.72713 3.73448 3.74123 3.74220 3.75515 3.76108 3.76550 3.77393 3.78043 3.78430 3.79184 3.79779 3.80239 3.81407 3.81995 3.82445 3.82987 3.83686 3.84436 3.84641 3.85055 3.85270 3.85586 3.86215 3.87471 3.87978 3.89217 3.89725 3.90181 3.90580 3.91236 3.91733 3.92557 3.92825 3.92934 3.94008 3.94248 3.94616 3.95281 3.95585 3.96929 3.97172 3.97991 3.98361 3.98981 4.00085 4.00327 4.00662 4.02159 4.02564 4.03372 4.03832 4.03922 4.04247 4.05124 4.05768 4.05880 4.06208 4.07467 4.08549 4.09318 4.09788 4.10182 4.10858 4.12564 4.13108 4.13368 4.13859 4.14089 4.15728 4.16135 4.16873 4.17269 4.17850 4.18760 4.19087 4.20497 4.20783 4.21207 4.21746 4.22395 4.23543 4.23709 4.24052 4.24319 4.24954 4.25202 4.25672 4.25776 4.26195 4.27200 4.27252 4.28252 4.28650 4.28837 4.29864 4.31462 4.31823 4.32364 4.32797 4.33463 4.34344 4.34506 4.35974 4.37263 4.37521 4.38129 4.39015 4.39897 4.40213 4.42757 4.42905 4.43196 4.44103 4.44784 4.44832 4.45507 4.46088 4.47302 4.47532 4.48635 4.49067 4.49823 4.50104 4.50675 4.51794 4.52048 4.53170 4.53907 4.54317 4.56204 4.56846 4.58475 4.58676 4.59465 4.60084 4.61252 4.61342 4.62615 4.62938 4.63779 4.64853 4.66072 4.66388 4.67334 4.68884 4.69204 4.70606 4.71019 4.71462 4.73547 4.74578 4.74839 4.75167 4.75179 4.76699 4.77462 4.78802 4.79489 4.80069 4.80167 4.81161 4.83123 4.83744 4.84143 4.85192 4.86262 4.86584 4.86772 4.87464 4.89684 4.90423 4.91216 4.91964 4.92571 4.92986 4.94621 4.94745 4.96389 4.96710 4.99254 4.99943 5.02073 5.02947 5.04362 5.04560 5.05789 5.07392 5.08778 5.10230 5.10913 5.12179 5.13084 5.14413 5.15421 5.16633 5.16751 5.18000 5.18993 5.20325 5.22344 5.22766 5.23586 5.23920 5.24780 5.25837 5.26400 5.26883 5.27084 5.27950 5.28087 5.29005 5.30055 5.30516 5.31260 5.31664 5.32050 5.33543 5.34029 5.34698 5.35744 5.36180 5.37425 5.38059 5.39224 5.39635 5.40804 5.41169 5.41538 5.42073 5.42401 5.43491 5.44268 5.44923 5.45237 5.46002 5.46643 5.46878 5.47618 5.47798 5.49605 5.50328 5.50673 5.51965 5.54847 5.56218 5.58113 5.59228 5.59684 5.60816 5.62765 5.63783 5.66958 5.67537 5.69925 5.71448 5.71909 5.73793 5.75146 5.76284 5.76620 5.77400 5.78050 5.79487 5.80317 5.81238 5.83935 5.86898 5.89704 5.90287 5.92910 5.96203 6.01625 6.03705 6.03768 6.05024 6.07306 6.09758 6.14151 6.15413 6.19713 6.20176 6.22757 6.27653 6.28072 6.34319 6.50105 6.53721 6.60038 6.72396 6.81186 6.83123 6.93264 7.05547 7.24063 7.34835 15.98092 22.70063 22.99325 23.05311 23.09510 23.14050 23.21679 23.24403 23.26152 23.27925 23.30520 23.36308 23.42891 23.54358 23.61503 23.66531 23.70169 23.78091 23.85080 23.88788 23.89130 32.86397 32.97303 33.12328 34.88456 34.99936 35.18589 43.14274 44.18135 119.80238 -19.21806 -14.51901 -14.42995 -14.42663 -10.36206 -10.35067 -10.33832 -10.33800 -10.32774 -10.32465 -10.32259 -10.31787 -10.31687 -10.31303 -10.31068 -10.30365 -10.30152 -10.29503 -10.29394 -10.29259 -10.29193 -10.28698 -10.28673 -10.28200 -6.93681 -6.84050 -4.95593 -4.94526 -4.94521 -1.99028 -1.98713 -1.98709 -1.97791 -1.97790 -1.12709 -1.09309 -1.04174 -1.03890 -0.93442 -0.92924 -0.90826 -0.90153 -0.88409 -0.87821 -0.85154 -0.79603 -0.79333 -0.76562 -0.76450 -0.75580 -0.75519 -0.72926 -0.72477 -0.70146 -0.67337 -0.64096 -0.63541 -0.61703 -0.60932 -0.59543 -0.58666 -0.58009 -0.56474 -0.56106 -0.55076 -0.54785 -0.54220 -0.53708 -0.53541 -0.52608 -0.52207 -0.51024 -0.50436 -0.49133 -0.48867 -0.48352 -0.48025 -0.47859 -0.47675 -0.46582 -0.46257 -0.45906 -0.45430 -0.45394 -0.43126 -0.43058 -0.41547 -0.40531 -0.37522 -0.36639 -0.36171 -0.35998 -0.34600 -0.34103 -0.33020 -0.32864 -0.32164 -0.31871 -0.31722 -0.03464 -0.00391 0.01668 0.03387 0.03485 0.04948 0.05528 0.09718 0.11694 0.12474 0.13146 0.13324 0.13785 0.14537 0.14898 0.15377 0.15466 0.15569 0.16078 0.16378 0.16814 0.17483 0.17616 0.17670 0.18595 0.19192 0.19489 0.19779 0.20345 0.20623 0.21083 0.21264 0.21456 0.22050 0.22158 0.22251 0.22764 0.23022 0.24024 0.24340 0.24826 0.25290 0.25615 0.25996 0.26544 0.27241 0.27449 0.27764 0.27868 0.28891 0.29072 0.29279 0.29897 0.30022 0.30286 0.30648 0.31133 0.31565 0.32333 0.32404 0.32702 0.32984 0.33490 0.33648 0.34046 0.34480 0.34652 0.35002 0.35454 0.35694 0.36180 0.36618 0.37322 0.37628 0.37960 0.38155 0.38423 0.39536 0.40055 0.40197 0.40638 0.41086 0.41524 0.41748 0.41944 0.42275 0.43357 0.43688 0.44011 0.44380 0.44482 0.44967 0.45198 0.45210 0.45885 0.46565 0.46946 0.47494 0.47789 0.47961 0.48164 0.48759 0.49121 0.49277 0.49329 0.49563 0.49956 0.50506 0.50765 0.50897 0.51292 0.51444 0.51570 0.52116 0.52370 0.52523 0.52760 0.52947 0.53592 0.53959 0.54265 0.54658 0.55157 0.55302 0.55337 0.56034 0.56310 0.56754 0.57238 0.57549 0.58152 0.58336 0.58668 0.59222 0.59449 0.59687 0.60515 0.60597 0.61609 0.61877 0.62069 0.62762 0.62864 0.63355 0.64180 0.64365 0.65796 0.66008 0.66193 0.67374 0.68109 0.68551 0.69048 0.70220 0.70992 0.71306 0.72061 0.72439 0.72800 0.73118 0.73709 0.73919 0.74535 0.74836 0.74900 0.75018 0.75200 0.75702 0.76230 0.76595 0.76615 0.77123 0.77699 0.77928 0.78410 0.79240 0.79449 0.79827 0.80691 0.81002 0.81315 0.82107 0.82589 0.82750 0.83497 0.84166 0.84476 0.84595 0.84913 0.85103 0.86001 0.86514 0.86791 0.87178 0.87566 0.87724 0.88474 0.89001 0.89678 0.90445 0.90837 0.91013 0.91639 0.91954 0.92567 0.93000 0.93262 0.93446 0.93809 0.95003 0.95710 0.96153 0.96213 0.97198 0.97400 0.98030 0.98320 0.98433 0.99311 0.99947 1.00292 1.00681 1.01136 1.01341 1.02228 1.02729 1.02976 1.03141 1.03523 1.04110 1.04931 1.05578 1.05826 1.07014 1.07294 1.07354 1.08026 1.08467 1.08845 1.10052 1.10876 1.10975 1.11211 1.11787 1.12582 1.12892 1.13341 1.14076 1.14347 1.14774 1.15239 1.15597 1.15932 1.17346 1.17780 1.18081 1.18561 1.19143 1.19781 1.20180 1.20759 1.21551 1.22014 1.22498 1.22877 1.22975 1.23796 1.23928 1.24146 1.24648 1.25218 1.26062 1.26431 1.26923 1.27374 1.27868 1.28206 1.28487 1.28939 1.29264 1.29465 1.30096 1.30866 1.31840 1.32270 1.32822 1.33275 1.33799 1.34398 1.34934 1.36170 1.36421 1.36698 1.37171 1.37592 1.38257 1.38837 1.39378 1.39618 1.40053 1.40612 1.41077 1.41571 1.41928 1.42206 1.43227 1.43796 1.44352 1.44545 1.44927 1.45550 1.45741 1.46038 1.46930 1.47039 1.47512 1.48328 1.48844 1.48967 1.49362 1.49680 1.50002 1.50477 1.51144 1.51744 1.52400 1.53292 1.53847 1.53918 1.54034 1.54879 1.55616 1.55856 1.56592 1.56837 1.57220 1.58015 1.58057 1.58206 1.59021 1.59293 1.60886 1.61756 1.61986 1.62121 1.62879 1.63146 1.63817 1.64049 1.65130 1.65530 1.65986 1.66927 1.67157 1.67919 1.68267 1.68394 1.70154 1.70397 1.70637 1.71137 1.71607 1.71939 1.73243 1.73471 1.74056 1.74543 1.74798 1.75459 1.75568 1.76458 1.76728 1.77078 1.78000 1.78409 1.78737 1.79315 1.79609 1.80160 1.80459 1.81747 1.82245 1.82934 1.83156 1.84373 1.84794 1.85664 1.86221 1.87616 1.87931 1.88722 1.89516 1.90401 1.90903 1.91785 1.91946 1.92773 1.93120 1.94039 1.94853 1.95184 1.96809 1.97635 1.98044 1.98451 1.99888 2.01266 2.02108 2.02636 2.03331 2.03857 2.04051 2.04600 2.05121 2.06641 2.07255 2.08284 2.08946 2.10208 2.10370 2.11088 2.12534 2.13394 2.15648 2.16115 2.16727 2.17502 2.19005 2.19336 2.20134 2.21655 2.22989 2.23251 2.24254 2.25260 2.25973 2.27625 2.28743 2.29224 2.29958 2.30603 2.31503 2.32894 2.33134 2.33850 2.35671 2.36394 2.37362 2.37569 2.38747 2.39297 2.39449 2.41298 2.42216 2.43637 2.43881 2.45320 2.45706 2.46292 2.48166 2.48630 2.49048 2.50016 2.50231 2.51559 2.52264 2.52830 2.53676 2.54338 2.55041 2.55967 2.56478 2.57530 2.58320 2.58544 2.59388 2.61299 2.61992 2.63028 2.64022 2.66100 2.66986 2.67496 2.69007 2.69590 2.70717 2.72148 2.73628 2.74652 2.75387 2.75736 2.76067 2.77305 2.77776 2.78308 2.78568 2.79128 2.79390 2.79742 2.80059 2.80686 2.81619 2.82011 2.82349 2.83027 2.83674 2.84229 2.85046 2.86259 2.86492 2.86765 2.87406 2.87976 2.88386 2.88733 2.89284 2.89715 2.90476 2.91681 2.92055 2.92534 2.93037 2.93894 2.94209 2.95118 2.95519 2.96701 2.97004 2.97177 2.97667 2.97841 2.98651 2.98995 2.99463 2.99820 3.00329 3.01096 3.01597 3.03321 3.03729 3.04144 3.04338 3.04650 3.05219 3.05436 3.06331 3.06590 3.07345 3.07582 3.07925 3.08723 3.08884 3.09148 3.09385 3.10035 3.10718 3.10870 3.12167 3.12555 3.12697 3.13097 3.13639 3.14488 3.14896 3.15142 3.15678 3.15955 3.16686 3.17337 3.17712 3.18136 3.18505 3.19072 3.19456 3.20017 3.20191 3.20348 3.20744 3.20943 3.21551 3.21920 3.22385 3.22746 3.23276 3.23607 3.23925 3.24271 3.24936 3.25590 3.25941 3.26230 3.26672 3.27141 3.27369 3.28359 3.28488 3.29010 3.29568 3.29841 3.30116 3.30950 3.31273 3.31789 3.32408 3.32817 3.33832 3.34143 3.34683 3.35182 3.35915 3.36199 3.36489 3.37114 3.37427 3.37671 3.37975 3.39030 3.39836 3.40185 3.40869 3.41756 3.41804 3.42081 3.42585 3.43141 3.43518 3.43571 3.43784 3.44208 3.44747 3.45100 3.45696 3.46069 3.46543 3.47275 3.48513 3.49171 3.49619 3.49674 3.50365 3.50536 3.50623 3.51243 3.51522 3.51931 3.52316 3.52981 3.53327 3.53505 3.53807 3.54454 3.55028 3.56025 3.56449 3.57409 3.57832 3.58266 3.58785 3.59059 3.59451 3.59983 3.60647 3.61267 3.61547 3.62277 3.62906 3.63547 3.64216 3.64474 3.65356 3.65609 3.66258 3.66633 3.67440 3.67818 3.68410 3.69018 3.69418 3.69793 3.70399 3.72817 3.73568 3.74168 3.74299 3.75567 3.76222 3.76563 3.77407 3.78065 3.78460 3.79251 3.79879 3.80267 3.81468 3.82107 3.82558 3.83059 3.83790 3.84523 3.84728 3.85197 3.85326 3.85702 3.86318 3.87565 3.88065 3.89355 3.89927 3.90271 3.90698 3.91336 3.91852 3.92663 3.92943 3.93025 3.94047 3.94283 3.94731 3.95302 3.95698 3.96957 3.97210 3.98012 3.98418 3.99060 4.00111 4.00395 4.00758 4.02180 4.02617 4.03405 4.03890 4.03972 4.04302 4.05183 4.05825 4.05972 4.06252 4.07499 4.08629 4.09349 4.09847 4.10235 4.10873 4.12612 4.13170 4.13389 4.13889 4.14116 4.15818 4.16202 4.16912 4.17306 4.17911 4.18826 4.19235 4.20585 4.20868 4.21300 4.21809 4.22453 4.23649 4.23740 4.24104 4.24344 4.25031 4.25254 4.25710 4.25819 4.26252 4.27247 4.27346 4.28337 4.28708 4.28908 4.29935 4.31485 4.31846 4.32521 4.32826 4.33572 4.34415 4.34652 4.36092 4.37407 4.37639 4.38215 4.39130 4.39933 4.40256 4.42803 4.42940 4.43238 4.44284 4.44843 4.44975 4.45585 4.46103 4.47312 4.47576 4.48779 4.49094 4.49856 4.50183 4.50837 4.51906 4.52142 4.53264 4.53991 4.54414 4.56291 4.56962 4.58514 4.58750 4.59526 4.60191 4.61340 4.61441 4.62781 4.63051 4.63850 4.64902 4.66079 4.66466 4.67460 4.68942 4.69237 4.70632 4.71054 4.71515 4.73616 4.74692 4.74867 4.75195 4.75232 4.76780 4.77477 4.78839 4.79603 4.80174 4.80216 4.81181 4.83198 4.83820 4.84197 4.85225 4.86317 4.86651 4.86788 4.87500 4.89774 4.90473 4.91275 4.91988 4.92680 4.92971 4.94631 4.94818 4.96450 4.96745 4.99475 5.00046 5.02170 5.03060 5.04433 5.04770 5.05906 5.07351 5.08863 5.10343 5.10974 5.12124 5.13171 5.14633 5.15466 5.16642 5.16756 5.18091 5.19055 5.20331 5.22425 5.22856 5.23565 5.23998 5.24923 5.25982 5.26498 5.26941 5.27117 5.27984 5.28121 5.29020 5.30169 5.30614 5.31390 5.32111 5.32119 5.33590 5.34113 5.34783 5.35801 5.36211 5.37497 5.38108 5.39376 5.39847 5.40807 5.41252 5.41637 5.42137 5.42423 5.43494 5.44275 5.45048 5.45388 5.46091 5.46713 5.47024 5.47719 5.47906 5.49670 5.50373 5.50703 5.52040 5.54938 5.56305 5.58224 5.59283 5.59676 5.60914 5.62847 5.63825 5.66979 5.67576 5.69927 5.71830 5.71953 5.73845 5.75151 5.76327 5.76633 5.77449 5.78092 5.79530 5.80367 5.81266 5.83980 5.86901 5.89814 5.90325 5.93014 5.96268 6.01692 6.03779 6.03889 6.05095 6.07352 6.09840 6.14152 6.15507 6.19756 6.20222 6.23384 6.27755 6.28117 6.34370 6.50969 6.54025 6.60101 6.72461 6.81956 6.83179 6.94012 7.05686 7.24430 7.34982 15.98773 22.70063 22.99382 23.05378 23.09544 23.14023 23.21986 23.24291 23.26250 23.28004 23.30503 23.36282 23.42821 23.54648 23.61451 23.66531 23.70170 23.78079 23.85213 23.88804 23.89147 32.86504 32.97430 33.12183 34.88458 34.99944 35.18591 43.14278 44.18370 119.80227 2-A. 5.1113 0.5524 -2.7143 5.8136 -169.1670 -154.0772 -171.9801 6.4538 -5.3558 2.5006 -4.0923 10.9975 -6.9053 6.4538 -5.3558 2.5006 143.2988 -28.0134 79.5963 -12.6273 -41.3078 1.1107 69.2567 -8.9488 27.6300 14.5858 -5813.6970 -3410.7874 -3285.7922 83.7610 62.3548 -43.6373 -44.8981 -34.0451 -83.9746 -1440.9985 -1416.8449 -1186.0294 -29.6427 -49.9219 -9.3030 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-NODO01 BPR 2024-07-24T00:00:00.000 0 coments 0 2 Version=ES64L-G16RevC.02 State=2-A HF=-1336.3497769 S2=0.788682 S2-1=0. S2A=0.75137 RMSD=8.806e-09 Dipole=2.2190387,0.5410436,0.1209078 Quadrupole=-1.2730042,1.9709225,-0.6979182,3.2032375,-0.9218942,8.9141224 PG=C01 [X(C20H20B1I1N3O1)] 0 -3.5165798452 0.1335828612 -0.1844468105 0 -4.6924263871 -0.002171801 0.1164018495 0 -0.5961008545 0.4106332354 -0.8282209492 0 1.5850240007 -0.6155659251 -1.5087034116 0 1.6155677957 1.5938654671 -0.7215922557 0 2.9553874176 -0.5996712849 -1.6638133371 0 0.9683453545 -1.4692999535 -1.7877438985 0 2.9866873941 1.6461636496 -0.8611333565 0 1.0257956339 2.4210862359 -0.3240225176 0 3.6925333784 0.5402796446 -1.3388013818 0 3.4402645565 -1.5001586247 -2.0425782365 0 3.4970693215 2.5711874622 -0.5898761883 0 4.7770874551 0.5662132401 -1.4541231899 0 0.8887977307 0.4703061137 -1.0356190093 0 -2.7303601529 1.2854842532 0.3253649464 0 -2.8433735031 -0.835656873 -1.0831745241 0 -1.4667760972 -0.7562227269 -1.4137028129 0 -1.358331017 1.4853581551 0.0223497822 0 -3.6288093298 -1.8702341215 -1.6045367497 0 -3.0547329106 -2.8040891056 -2.4484455793 0 -1.692733778 -2.6608426157 -2.7324957113 0 -0.9387236433 -1.693368923 -2.2414263183 0 -4.683250152 -1.9068340326 -1.3234547328 0 -3.6313452565 -3.6250402916 -2.8773726637 0 -1.1918525561 -3.3774195117 -3.3942725842 0 -1.389723043 3.4477947176 1.280520454 0 -2.7353346796 3.3062238049 1.6322202524 0 -3.4072497661 2.2021641098 1.1372810935 0 -0.7365055288 2.5866131633 0.5201727723 0 -4.4601632939 2.0128892459 1.3559452144 0 -0.8152689798 4.3096254216 1.640331457 0 -3.2276919971 4.0440889551 2.2673958619 0 1.32133277 -0.8366398524 2.9961504966 0 1.4615268334 -1.4320474621 4.3923690645 0 0.4951536789 -1.4759909602 4.914326609 0 1.8894185016 -2.4442479303 4.3639688251 0 2.1389795914 -0.7907881177 4.9824434201 0 2.6580569138 -0.8098717014 2.2646297959 0 3.1109412776 -1.8096202153 2.2021147994 0 2.5571235281 -0.4082534548 1.2471931998 0 3.3507840414 -0.1538968835 2.8198517079 0 0.6886357631 0.5484659049 3.0404458307 0 0.5865125104 0.9898430041 2.0399862193 0 -0.3042466956 0.5322316619 3.5121411003 0 1.339180891 1.2117992918 3.636649917 0 -0.0381956823 -2.1593742805 1.8482234296